---
Fuzzer filename: '/src/openbabel/test/fuzz/fuzz_obconversion.cpp'
All functions:
  Function list name: All functions
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      BBCount:         0
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      BBCount:         0
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    - functionName:    _ZNSt12length_errorC2B8ne220000EPKc
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      BBCount:         3
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      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
        - _ZNSt11logic_errorC2EPKc
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             '/usr/local/bin/../include/c++/v1/stdexcept:154,66'
          Dst:             _ZNSt11logic_errorC2EPKc
    - functionName:    _ZNSt12length_errorD1Ev
      functionSourceFile: ''
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      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         0
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      functionsReached: []
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      functionSourceFile: ''
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      argTypes:
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    - functionName:    LLVMFuzzerTestOneInput
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      BBCount:         17
      ICount:          76
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      functionsReached:
        - _ZN9OpenBabel12OBConversion10ReadStringEPNS_6OBBaseENSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEE
        - _ZN9OpenBabel12OBConversion11SetInFormatEPKcb
        - _ZN9OpenBabel12OBConversionC2EPNSt3__113basic_istreamIcNS1_11char_traitsIcEEEEPNS1_13basic_ostreamIcS4_EE
        - _ZN9OpenBabel12OBConversionD2Ev
        - _ZN9OpenBabel5OBMolC2Ev
        - _ZN9OpenBabel5OBMolD2Ev
        - abort
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'test/fuzz/fuzz_obconversion.cpp:18,18'
          Dst:             _ZN9OpenBabel12OBConversionC2EPNSt3__113basic_istreamIcNS1_11char_traitsIcEEEEPNS1_13basic_ostreamIcS4_EE
        - Src:             'test/fuzz/fuzz_obconversion.cpp:19,22'
          Dst:             _ZN9OpenBabel5OBMolC2Ev
        - Src:             'test/fuzz/fuzz_obconversion.cpp:23,16'
          Dst:             _ZN9OpenBabel12OBConversion11SetInFormatEPKcb
        - Src:             'test/fuzz/fuzz_obconversion.cpp:24,9'
          Dst:             abort
        - Src:             'test/fuzz/fuzz_obconversion.cpp:26,12'
          Dst:             _ZN9OpenBabel12OBConversion10ReadStringEPNS_6OBBaseENSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEE
        - Src:             'test/fuzz/fuzz_obconversion.cpp:28,1'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
        - Src:             'test/fuzz/fuzz_obconversion.cpp:28,1'
          Dst:             _ZN9OpenBabel12OBConversionD2Ev
        - Src:             'test/fuzz/fuzz_obconversion.cpp:28,1'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
        - Src:             'test/fuzz/fuzz_obconversion.cpp:28,1'
          Dst:             _ZN9OpenBabel12OBConversionD2Ev
    - functionName:    abort
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      functionsReached: []
      functionUses:    1
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    - functionName:    __clang_call_terminate
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      functionsReached:
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      functionUses:    1279
      BranchProfiles:  []
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    - functionName:    _ZN9OpenBabel5OBMolC2ERKS0_
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      argCount:        2
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      constantsTouched: []
      argNames:
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      BBCount:         6
      ICount:          78
      EdgeCount:       9
      CyclomaticComplexity: 5
      functionsReached:
        - _ZN9OpenBabel5OBMolaSERKS0_
        - _ZN9OpenBabel6OBBaseC2ERKS0_
        - _ZN9OpenBabel6OBBaseD2Ev
      functionUses:    1
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      Callsites:
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          Dst:             _ZN9OpenBabel6OBBaseC2ERKS0_
        - Src:             'src/mol.cpp:2785,11'
          Dst:             _ZN9OpenBabel5OBMolaSERKS0_
        - Src:             'src/mol.cpp:2786,3'
          Dst:             _ZN9OpenBabel6OBBaseD2Ev
    - functionName:    _ZN9OpenBabel6OBBaseC2ERKS0_
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      argTypes:
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      BBCount:         3
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      functionsReached: []
      functionUses:    1
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      Callsites:       []
    - functionName:    _ZN9OpenBabel5OBMolaSERKS0_
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      linkageType:     InternalLinkage
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      argTypes:
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      constantsTouched: []
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      BBCount:         89
      ICount:          445
      EdgeCount:       110
      CyclomaticComplexity: 23
      functionsReached:
        - _ZN9OpenBabel5OBMol10NewResidueEv
        - _ZN9OpenBabel5OBMol12GetConformerEi
        - _ZN9OpenBabel5OBMol13NumConformersEv
        - _ZN9OpenBabel5OBMol13SetConformersERNSt3__16vectorIPdNS1_9allocatorIS3_EEEE
        - _ZN9OpenBabel5OBMol14GetTotalChargeEv
        - _ZN9OpenBabel5OBMol14SetTotalChargeEi
        - _ZN9OpenBabel5OBMol21HasChiralityPerceivedEv
        - _ZN9OpenBabel5OBMol21SetChiralityPerceivedEb
        - _ZN9OpenBabel5OBMol24GetTotalSpinMultiplicityEv
        - _ZN9OpenBabel5OBMol24SetTotalSpinMultiplicityEj
        - _ZN9OpenBabel5OBMol7AddAtomERNS_6OBAtomEb
        - _ZN9OpenBabel5OBMol7AddBondERNS_6OBBondE
        - _ZN9OpenBabel5OBMol7HasFlagEi
        - _ZN9OpenBabel5OBMol7SetFlagEi
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBase7EndDataEv
        - _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - _ZN9OpenBabel6OBBase9BeginDataEv
        - _ZN9OpenBabel9OBResidue10SetHetAtomEPNS_6OBAtomEb
        - _ZN9OpenBabel9OBResidue12SetSerialNumEPNS_6OBAtomEj
        - _ZN9OpenBabel9OBResidue7AddAtomEPNS_6OBAtomE
        - _ZN9OpenBabel9OBResidue8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel9OBResidue9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel9OBResidue9SetAtomIDEPNS_6OBAtomERKNSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEE
        - _ZN9OpenBabel9OBResidueaSERKS0_
        - _ZNK9OpenBabel5OBMol10GetResidueEi
        - _ZNK9OpenBabel5OBMol11NumResiduesEv
        - _ZNK9OpenBabel5OBMol12GetDimensionEv
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel5OBMol8NumBondsEv
        - _ZNK9OpenBabel5OBMol9GetEnergyEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel9OBResidue12GetSerialNumEPNS_6OBAtomE
        - _ZNK9OpenBabel9OBResidue9GetAtomIDEPNS_6OBAtomE
        - _ZNK9OpenBabel9OBResidue9IsHetAtomEPNS_6OBAtomE
      functionUses:    15
      BranchProfiles:  []
      Callsites:
        - Src:             'src/mol.cpp:1256,24'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/mol.cpp:1257,26'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/mol.cpp:1258,24'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/mol.cpp:1259,26'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/mol.cpp:1261,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:1262,7'
          Dst:             _ZN9OpenBabel5OBMol7AddAtomERNS_6OBAtomEb
        - Src:             'src/mol.cpp:1261,50'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:1263,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:1264,7'
          Dst:             _ZN9OpenBabel5OBMol7AddBondERNS_6OBBondE
        - Src:             'src/mol.cpp:1263,50'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:1267,25'
          Dst:             _ZNK9OpenBabel5OBMol9GetEnergyEv
        - Src:             'src/mol.cpp:1268,28'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/mol.cpp:1269,30'
          Dst:             _ZN9OpenBabel5OBMol14GetTotalChargeEv
        - Src:             'src/mol.cpp:1269,11'
          Dst:             _ZN9OpenBabel5OBMol14SetTotalChargeEi
        - Src:             'src/mol.cpp:1270,40'
          Dst:             _ZN9OpenBabel5OBMol24GetTotalSpinMultiplicityEv
        - Src:             'src/mol.cpp:1270,11'
          Dst:             _ZN9OpenBabel5OBMol24SetTotalSpinMultiplicityEj
        - Src:             'src/mol.cpp:1274,13'
          Dst:             _ZN9OpenBabel5OBMol7HasFlagEi
        - Src:             'src/mol.cpp:1275,13'
          Dst:             _ZN9OpenBabel5OBMol7SetFlagEi
        - Src:             'src/mol.cpp:1276,13'
          Dst:             _ZN9OpenBabel5OBMol7HasFlagEi
        - Src:             'src/mol.cpp:1277,13'
          Dst:             _ZN9OpenBabel5OBMol7SetFlagEi
        - Src:             'src/mol.cpp:1278,13'
          Dst:             _ZN9OpenBabel5OBMol7HasFlagEi
        - Src:             'src/mol.cpp:1279,13'
          Dst:             _ZN9OpenBabel5OBMol7SetFlagEi
        - Src:             'src/mol.cpp:1280,13'
          Dst:             _ZN9OpenBabel5OBMol7HasFlagEi
        - Src:             'src/mol.cpp:1281,13'
          Dst:             _ZN9OpenBabel5OBMol7SetFlagEi
        - Src:             'src/mol.cpp:1282,13'
          Dst:             _ZN9OpenBabel5OBMol7HasFlagEi
        - Src:             'src/mol.cpp:1283,13'
          Dst:             _ZN9OpenBabel5OBMol7SetFlagEi
        - Src:             'src/mol.cpp:1284,13'
          Dst:             _ZN9OpenBabel5OBMol7HasFlagEi
        - Src:             'src/mol.cpp:1285,13'
          Dst:             _ZN9OpenBabel5OBMol7SetFlagEi
        - Src:             'src/mol.cpp:1286,13'
          Dst:             _ZN9OpenBabel5OBMol7HasFlagEi
        - Src:             'src/mol.cpp:1287,13'
          Dst:             _ZN9OpenBabel5OBMol7SetFlagEi
        - Src:             'src/mol.cpp:1288,13'
          Dst:             _ZN9OpenBabel5OBMol7HasFlagEi
        - Src:             'src/mol.cpp:1289,13'
          Dst:             _ZN9OpenBabel5OBMol7SetFlagEi
        - Src:             'src/mol.cpp:1294,31'
          Dst:             _ZNK9OpenBabel5OBMol11NumResiduesEv
        - Src:             'src/mol.cpp:1305,19'
          Dst:             _ZN9OpenBabel5OBMol10NewResidueEv
        - Src:             'src/mol.cpp:1306,27'
          Dst:             _ZNK9OpenBabel5OBMol10GetResidueEi
        - Src:             'src/mol.cpp:1307,18'
          Dst:             _ZN9OpenBabel9OBResidueaSERKS0_
        - Src:             'src/mol.cpp:1308,36'
          Dst:             _ZN9OpenBabel9OBResidue9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:1310,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:1310,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/mol.cpp:1311,22'
          Dst:             _ZN9OpenBabel9OBResidue7AddAtomEPNS_6OBAtomE
        - Src:             'src/mol.cpp:1312,46'
          Dst:             _ZNK9OpenBabel9OBResidue9GetAtomIDEPNS_6OBAtomE
        - Src:             'src/mol.cpp:1312,22'
          Dst:             _ZN9OpenBabel9OBResidue9SetAtomIDEPNS_6OBAtomERKNSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEE
        - Src:             'src/mol.cpp:1313,47'
          Dst:             _ZNK9OpenBabel9OBResidue9IsHetAtomEPNS_6OBAtomE
        - Src:             'src/mol.cpp:1313,22'
          Dst:             _ZN9OpenBabel9OBResidue10SetHetAtomEPNS_6OBAtomEb
        - Src:             'src/mol.cpp:1314,49'
          Dst:             _ZNK9OpenBabel9OBResidue12GetSerialNumEPNS_6OBAtomE
        - Src:             'src/mol.cpp:1314,22'
          Dst:             _ZN9OpenBabel9OBResidue12SetSerialNumEPNS_6OBAtomEj
        - Src:             'src/mol.cpp:1308,81'
          Dst:             _ZN9OpenBabel9OBResidue8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:1320,13'
          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
        - Src:             'src/mol.cpp:1325,24'
          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
        - Src:             'src/mol.cpp:1326,33'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/mol.cpp:1327,26'
          Dst:             _ZN9OpenBabel5OBMol12GetConformerEi
        - Src:             'src/mol.cpp:1327,66'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/mol.cpp:1330,17'
          Dst:             _ZN9OpenBabel5OBMol12GetConformerEi
        - Src:             'src/mol.cpp:1325,24'
          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
        - Src:             'src/mol.cpp:1335,7'
          Dst:             _ZN9OpenBabel5OBMol13SetConformersERNSt3__16vectorIPdNS1_9allocatorIS3_EEEE
        - Src:             'src/mol.cpp:1345,17'
          Dst:             _ZN9OpenBabel6OBBase9BeginDataEv
        - Src:             'src/mol.cpp:1345,38'
          Dst:             _ZN9OpenBabel6OBBase7EndDataEv
        - Src:             'src/mol.cpp:1348,9'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/mol.cpp:1345,38'
          Dst:             _ZN9OpenBabel6OBBase7EndDataEv
        - Src:             'src/mol.cpp:1351,13'
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigC2Ev
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          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
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          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
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      Callsites:
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          Dst:             _ZNK9OpenBabel6OBAtom19LewisAcidBaseCountsEv
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
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          Dst:             _ZN9OpenBabel8OBBitVec6ResizeEj
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
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          Dst:             _ZNK9OpenBabel8OBBitVec9CountBitsEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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      ICount:          22
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      functionUses:    10
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      linkageType:     InternalLinkage
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      functionDepth:   0
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      argTypes:
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      argNames:
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      functionsReached:
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      functionUses:    3
      BranchProfiles:  []
      Callsites:
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      functionSourceFile: '/src/openbabel/include/openbabel/atom.h'
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    - functionName:    _ZN9OpenBabel5OBMol18PerceiveBondOrdersEv
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      linkageType:     InternalLinkage
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      argTypes:
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      BBCount:         468
      ICount:          1993
      EdgeCount:       927
      CyclomaticComplexity: 461
      functionsReached:
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        - _ZN9OpenBabel10OBElements13GetElectroNegEj
        - _ZN9OpenBabel10OBKekulizeEPNS_5OBMolE
        - _ZN9OpenBabel11OBBondTyper26AssignFunctionalGroupBondsERNS_5OBMolE
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel4impl11MolGetBondsEPKNS_5OBMolE
        - _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - _ZN9OpenBabel5OBMol16HasSSSRPerceivedEv
        - _ZN9OpenBabel5OBMol20SetAromaticPerceivedEb
        - _ZN9OpenBabel5OBMol25SetHybridizationPerceivedEb
        - _ZN9OpenBabel5OBMol5EmptyEv
        - _ZN9OpenBabel5OBMol7GetSSSREv
        - _ZN9OpenBabel5OBMol8FindSSSREv
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom11SetAromaticEb
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom14HasBondOfOrderEj
        - _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - _ZN9OpenBabel6OBAtom16AverageBondAngleEv
        - _ZN9OpenBabel6OBAtom16HasNonSingleBondEv
        - _ZN9OpenBabel6OBAtom6SetHybEi
        - _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond11SetAromaticEb
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZN9OpenBabel6OBBond12SetBondOrderEi
        - _ZN9OpenBabel6OBBond20IsDoubleBondGeometryEv
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel8IsApproxERKdS1_d
        - _ZN9OpenBabelL16CorrectedBondRadEjj
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - _ZNK9OpenBabel5OBMol7GetBondEii
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - _ZNK9OpenBabel6OBAtom21ExplicitHydrogenCountEb
        - _ZNK9OpenBabel6OBAtom6GetHybEv
        - _ZNK9OpenBabel6OBAtom8IsInRingEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond9GetLengthEv
        - _ZNK9OpenBabel6OBRing4SizeEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZTWN9OpenBabel9bondtyperE
      functionUses:    47
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel5OBMol5EmptyEv
        - Src:             'src/mol.cpp:3230,16'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/mol.cpp:3234,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/mol.cpp:3234,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/mol.cpp:3242,17'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3244,23'
          Dst:             _ZN9OpenBabel6OBAtom16AverageBondAngleEv
        - Src:             'src/mol.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom6SetHybEi
        - Src:             'src/mol.cpp:3254,19'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3255,22'
          Dst:             _ZNK9OpenBabel6OBAtom21ExplicitHydrogenCountEb
        - Src:             'src/mol.cpp:3256,22'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3259,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3260,22'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3261,22'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/mol.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom6SetHybEi
        - Src:             'src/mol.cpp:3242,42'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3266,5'
          Dst:             _ZN9OpenBabel5OBMol25SetHybridizationPerceivedEb
        - Src:             'src/mol.cpp:3277,10'
          Dst:             _ZN9OpenBabel5OBMol16HasSSSRPerceivedEv
        - Src:             'src/mol.cpp:3278,7'
          Dst:             _ZN9OpenBabel5OBMol8FindSSSREv
        - Src:             'src/mol.cpp:3279,13'
          Dst:             _ZN9OpenBabel5OBMol7GetSSSREv
        - Src:             'src/mol.cpp:3282,24'
          Dst:             _ZNK9OpenBabel6OBRing4SizeEv
        - Src:             'src/mol.cpp:3286,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3287,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3288,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3289,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3290,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3295,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/mol.cpp:3299,28'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3300,26'
          Dst:             _ZN9OpenBabel6OBAtom6SetHybEi
        - Src:             'src/mol.cpp:3304,29'
          Dst:             _ZNK9OpenBabel6OBRing4SizeEv
        - Src:             'src/mol.cpp:3308,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3309,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3310,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3311,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3312,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3313,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3318,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/mol.cpp:3319,28'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3319,59'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3320,26'
          Dst:             _ZN9OpenBabel6OBAtom6SetHybEi
        - Src:             'src/mol.cpp:3331,17'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3333,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:3333,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:3336,28'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:3338,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:3338,43'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3336,58'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:3344,35'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:3346,40'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom6SetHybEi
        - Src:             'src/mol.cpp:3331,42'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3355,5'
          Dst:             _ZTWN9OpenBabel9bondtyperE
        - Src:             'src/mol.cpp:3355,15'
          Dst:             _ZN9OpenBabel11OBBondTyper26AssignFunctionalGroupBondsERNS_5OBMolE
        - Src:             'src/mol.cpp:3373,31'
          Dst:             _ZNK9OpenBabel6OBRing4SizeEv
        - Src:             'src/mol.cpp:3379,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/mol.cpp:3380,26'
          Dst:             _ZN9OpenBabel6OBAtom14HasBondOfOrderEj
        - Src:             'src/mol.cpp:3380,53'
          Dst:             _ZN9OpenBabel6OBAtom14HasBondOfOrderEj
        - Src:             'src/mol.cpp:3381,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:3392,20'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/mol.cpp:3392,69'
          Dst:             _ZN9OpenBabel6OBBond11SetAromaticEb
        - Src:             'src/mol.cpp:3400,13'
          Dst:             _ZN9OpenBabel5OBMol20SetAromaticPerceivedEb
        - Src:             'src/mol.cpp:3403,7'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsEPKNS_5OBMolE
        - Src:             'src/mol.cpp:3403,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/mol.cpp:3403,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/mol.cpp:3409,17'
          Dst:             _ZN9OpenBabel10OBKekulizeEPNS_5OBMolE
        - Src:             'src/mol.cpp:3404,19'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/mol.cpp:3405,17'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/mol.cpp:3405,33'
          Dst:             _ZN9OpenBabel6OBAtom11SetAromaticEb
        - Src:             'src/mol.cpp:3406,17'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/mol.cpp:3406,31'
          Dst:             _ZN9OpenBabel6OBAtom11SetAromaticEb
        - Src:             'src/mol.cpp:3417,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/mol.cpp:3420,13'
          Dst:             _ZN9OpenBabel5OBMol20SetAromaticPerceivedEb
        - Src:             'src/mol.cpp:3440,17'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3445,24'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:3447,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3448,70'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/mol.cpp:3448,83'
          Dst:             _ZNK9OpenBabel6OBBond9GetLengthEv
        - Src:             'src/mol.cpp:3445,54'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:3451,68'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3451,36'
          Dst:             _ZN9OpenBabel10OBElements13GetElectroNegEj
        - Src:             'src/mol.cpp:3440,46'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3466,21'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:3466,44'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3467,23'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/mol.cpp:3467,108'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3467,78'
          Dst:             _ZN9OpenBabel10OBElements11GetMaxBondsEj
        - Src:             'src/mol.cpp:3474,23'
          Dst:             _ZN9OpenBabel6OBAtom16HasNonSingleBondEv
        - Src:             'src/mol.cpp:3475,24'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3475,53'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/mol.cpp:3481,28'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:3483,61'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3483,32'
          Dst:             _ZN9OpenBabel10OBElements13GetElectroNegEj
        - Src:             'src/mol.cpp:3484,26'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:3484,46'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3485,28'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/mol.cpp:3485,109'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3485,82'
          Dst:             _ZN9OpenBabel10OBElements11GetMaxBondsEj
        - Src:             'src/mol.cpp:3487,27'
          Dst:             _ZN9OpenBabel8IsApproxERKdS1_d
        - Src:             'src/mol.cpp:3488,37'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/mol.cpp:3488,50'
          Dst:             _ZNK9OpenBabel6OBBond9GetLengthEv
        - Src:             'src/mol.cpp:3490,28'
          Dst:             _ZN9OpenBabel6OBAtom16HasNonSingleBondEv
        - Src:             'src/mol.cpp:3491,29'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3491,55'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/mol.cpp:3495,41'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/mol.cpp:3495,54'
          Dst:             _ZNK9OpenBabel6OBBond9GetLengthEv
        - Src:             'src/mol.cpp:3496,31'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3496,62'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3497,59'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3497,81'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:3497,36'
          Dst:             _ZN9OpenBabelL16CorrectedBondRadEjj
        - Src:             'src/mol.cpp:3498,47'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3498,66'
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          Dst:             _ZN9OpenBabel8IsApproxERKdS1_d
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          Dst:             _ZN9OpenBabel16CalcTorsionAngleERKNS_7vector3ES2_S2_S2_
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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          Dst:             _ZN9OpenBabel6OBBase7GetDataEj
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel16CalcTorsionAngleERKNS_7vector3ES2_S2_S2_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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        - Src:             'src/mol.cpp:3070,37'
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        - Src:             'src/mol.cpp:3101,18'
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          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3129,22'
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          Dst:             _ZN9OpenBabel6OBAtom17SmallestBondAngleEv
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          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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        - Src:             'src/mol.cpp:3139,47'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:3140,28'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:3159,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3165,31'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/mol.cpp:3165,49'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3163,41'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:3184,34'
          Dst:             _ZNK9OpenBabel6OBBond9GetLengthEv
        - Src:             'src/mol.cpp:3185,31'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:3187,27'
          Dst:             _ZNK9OpenBabel6OBBond9GetLengthEv
        - Src:             'src/mol.cpp:3190,39'
          Dst:             _ZNK9OpenBabel6OBBond9GetLengthEv
        - Src:             'src/mol.cpp:3185,61'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
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          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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          Dst:             _ZN9OpenBabel6OBAtom13ClearCoordPtrEv
        - Src:             'src/mol.cpp:3206,46'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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        - Src:             'src/mol.cpp:3214,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/mol.cpp:3214,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/mol.cpp:3214,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/mol.cpp:3214,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/mol.cpp:3214,3'
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          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/mol.cpp:2523,41'
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      BranchProfiles:  []
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        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom6SetIdxEi
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
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          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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          Dst:             _ZN9OpenBabel6OBAtom6SetIdxEi
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          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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          Dst:             _ZN9OpenBabelL18DeleteStereoOnAtomERNS_5OBMolEm
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      BranchProfiles:  []
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        - Src:             'src/mol.cpp:1933,17'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:1934,17'
          Dst:             _ZN9OpenBabel6OBAtom18IsNonPolarHydrogenEv
        - Src:             'src/mol.cpp:1934,41'
          Dst:             _ZN9OpenBabelL22IsSuppressibleHydrogenEPNS_6OBAtomE
        - Src:             'src/mol.cpp:1933,42'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:1952,5'
          Dst:             _ZN9OpenBabel5OBMol12IncrementModEv
        - Src:             'src/mol.cpp:1955,7'
          Dst:             _ZN9OpenBabel5OBMol10DeleteAtomEPNS_6OBAtomEb
        - Src:             'src/mol.cpp:1957,5'
          Dst:             _ZN9OpenBabel5OBMol12DecrementModEv
        - Src:             'src/mol.cpp:1959,5'
          Dst:             _ZN9OpenBabel5OBMol16SetSSSRPerceivedEb
        - Src:             'src/mol.cpp:1960,5'
          Dst:             _ZN9OpenBabel5OBMol16SetLSSRPerceivedEb
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      ICount:          173
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      functionsReached:
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        - _ZN9OpenBabel5OBMol10DeleteAtomEPNS_6OBAtomEb
        - _ZN9OpenBabel5OBMol12DecrementModEv
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        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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        - Src:             'src/mol.cpp:1902,17'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:1903,17'
          Dst:             _ZN9OpenBabel6OBAtom15IsPolarHydrogenEv
        - Src:             'src/mol.cpp:1903,38'
          Dst:             _ZN9OpenBabelL22IsSuppressibleHydrogenEPNS_6OBAtomE
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          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:1909,5'
          Dst:             _ZN9OpenBabel5OBMol12IncrementModEv
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          Dst:             _ZN9OpenBabel5OBMol10DeleteAtomEPNS_6OBAtomEb
        - Src:             'src/mol.cpp:1914,5'
          Dst:             _ZN9OpenBabel5OBMol12DecrementModEv
        - Src:             'src/mol.cpp:1916,5'
          Dst:             _ZN9OpenBabel5OBMol16SetSSSRPerceivedEb
        - Src:             'src/mol.cpp:1917,5'
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        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabelL10ClassCountERNSt3__16vectorINS0_4pairIPNS_6OBAtomEjEENS0_9allocatorIS5_EEEERj
        - _ZN9OpenBabelL20CreateNewClassVectorERNSt3__16vectorINS0_4pairIPNS_6OBAtomEjEENS0_9allocatorIS5_EEEES9_
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:782,46'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:786,5'
          Dst:             _ZN9OpenBabelL10ClassCountERNSt3__16vectorINS0_4pairIPNS_6OBAtomEjEENS0_9allocatorIS5_EEEERj
        - Src:             'src/mol.cpp:788,19'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/mol.cpp:792,13'
          Dst:             _ZN9OpenBabelL20CreateNewClassVectorERNSt3__16vectorINS0_4pairIPNS_6OBAtomEjEENS0_9allocatorIS5_EEEES9_
        - Src:             'src/mol.cpp:793,13'
          Dst:             _ZN9OpenBabelL10ClassCountERNSt3__16vectorINS0_4pairIPNS_6OBAtomEjEENS0_9allocatorIS5_EEEERj
    - functionName:    _ZN9OpenBabel5OBMol11GetGIVectorERNSt3__16vectorIjNS1_9allocatorIjEEEE
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      linkageType:     InternalLinkage
      functionLinenumber: 659
      functionLinenumberEnd: 678
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
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        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
      BBCount:         16
      ICount:          104
      EdgeCount:       29
      CyclomaticComplexity: 15
      functionsReached:
        - _ZN9OpenBabel5OBMol12GetGTDVectorERNSt3__16vectorIiNS1_9allocatorIiEEEE
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - _ZNK9OpenBabel6OBAtom8IsInRingEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/mol.cpp:664,5'
          Dst:             _ZN9OpenBabel5OBMol12GetGTDVectorERNSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/mol.cpp:669,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:672,40'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/mol.cpp:673,42'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/mol.cpp:674,42'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/mol.cpp:675,40'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:676,40'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/mol.cpp:669,46'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
    - functionName:    _ZN9OpenBabel5OBMol12GetGTDVectorERNSt3__16vectorIiNS1_9allocatorIiEEEE
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      linkageType:     InternalLinkage
      functionLinenumber: 609
      functionLinenumberEnd: 649
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      returnType:      bool
      argCount:        2
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         54
      ICount:          216
      EdgeCount:       96
      CyclomaticComplexity: 44
      functionsReached:
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - _ZN9OpenBabel6OBBond13GetNbrAtomIdxEPNS_6OBAtomE
        - _ZN9OpenBabel8OBBitVec5ClearEv
        - _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - _ZN9OpenBabel8OBBitVecC2Ev
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZN9OpenBabel8OBBitVecaSERKS0_
        - _ZN9OpenBabel8OBBitVecoRERKS0_
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel8OBBitVec6EndBitEv
        - _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - _ZNK9OpenBabel8OBBitVec7NextBitEi
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
      functionUses:    3
      BranchProfiles:  []
      Callsites:
        - Src:             'src/mol.cpp:611,16'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/mol.cpp:614,14'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:614,19'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:614,24'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:620,10'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/mol.cpp:622,17'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:625,14'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/mol.cpp:626,14'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/mol.cpp:627,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:627,14'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/mol.cpp:628,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:628,14'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/mol.cpp:630,22'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/mol.cpp:632,18'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/mol.cpp:633,31'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/mol.cpp:633,57'
          Dst:             _ZNK9OpenBabel8OBBitVec6EndBitEv
        - Src:             'src/mol.cpp:635,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/mol.cpp:636,36'
          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:637,44'
          Dst:             _ZN9OpenBabel6OBBond13GetNbrAtomIdxEPNS_6OBAtomE
        - Src:             'src/mol.cpp:637,29'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/mol.cpp:637,90'
          Dst:             _ZN9OpenBabel6OBBond13GetNbrAtomIdxEPNS_6OBAtomE
        - Src:             'src/mol.cpp:637,75'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/mol.cpp:638,31'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/mol.cpp:638,50'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:639,43'
          Dst:             _ZN9OpenBabel6OBBond13GetNbrAtomIdxEPNS_6OBAtomE
        - Src:             'src/mol.cpp:639,28'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/mol.cpp:649,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:636,68'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:633,79'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/mol.cpp:642,18'
          Dst:             _ZN9OpenBabel8OBBitVecoRERKS0_
        - Src:             'src/mol.cpp:643,18'
          Dst:             _ZN9OpenBabel8OBBitVecaSERKS0_
        - Src:             'src/mol.cpp:646,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:622,42'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:649,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:649,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:649,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:649,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:649,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel5OBMol12FindChildrenERNSt3__16vectorIPNS_6OBAtomENS1_9allocatorIS4_EEEES4_S4_
      functionSourceFile: '/src/openbabel/src/mol.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 527
      functionLinenumberEnd: 557
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
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        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
        - ''
        - ''
      BBCount:         42
      ICount:          170
      EdgeCount:       70
      CyclomaticComplexity: 30
      functionsReached:
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel8OBBitVec5ClearEv
        - _ZN9OpenBabel8OBBitVecC2Ev
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZN9OpenBabel8OBBitVecaSERKS0_
        - _ZN9OpenBabel8OBBitVecoREi
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel8OBBitVec6EndBitEv
        - _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - _ZNK9OpenBabel8OBBitVec7NextBitEi
        - _ZNK9OpenBabel8OBBitVecixEi
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/mol.cpp:528,14'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:528,19'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:528,24'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:530,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:530,10'
          Dst:             _ZN9OpenBabel8OBBitVecoREi
        - Src:             'src/mol.cpp:531,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:531,10'
          Dst:             _ZN9OpenBabel8OBBitVecoREi
        - Src:             'src/mol.cpp:532,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:532,10'
          Dst:             _ZN9OpenBabel8OBBitVecoREi
        - Src:             'src/mol.cpp:541,14'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/mol.cpp:542,23'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/mol.cpp:542,45'
          Dst:             _ZNK9OpenBabel8OBBitVec6EndBitEv
        - Src:             'src/mol.cpp:544,20'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/mol.cpp:545,30'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:546,30'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:546,20'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/mol.cpp:549,32'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:549,24'
          Dst:             _ZN9OpenBabel8OBBitVecoREi
        - Src:             'src/mol.cpp:550,32'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:550,24'
          Dst:             _ZN9OpenBabel8OBBitVecoREi
        - Src:             'src/mol.cpp:545,62'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:542,63'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/mol.cpp:553,18'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/mol.cpp:555,14'
          Dst:             _ZN9OpenBabel8OBBitVecaSERKS0_
        - Src:             'src/mol.cpp:557,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:557,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:557,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:557,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:557,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:557,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel5OBMol19FindLargestFragmentERNS_8OBBitVecE
      functionSourceFile: '/src/openbabel/src/mol.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 480
      functionLinenumberEnd: 521
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
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        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         72
      ICount:          262
      EdgeCount:       126
      CyclomaticComplexity: 56
      functionsReached:
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond13GetNbrAtomIdxEPNS_6OBAtomE
        - _ZN9OpenBabel8OBBitVec5ClearEv
        - _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - _ZN9OpenBabel8OBBitVecC2Ev
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZN9OpenBabel8OBBitVecaSERKS0_
        - _ZN9OpenBabel8OBBitVecoRERKS0_
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel8OBBitVec6EndBitEv
        - _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - _ZNK9OpenBabel8OBBitVec7NextBitEi
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - _ZNK9OpenBabel8OBBitVec9CountBitsEv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/mol.cpp:486,14'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:486,19'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:486,24'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:486,29'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:488,8'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/mol.cpp:489,27'
          Dst:             _ZNK9OpenBabel8OBBitVec9CountBitsEv
        - Src:             'src/mol.cpp:489,41'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/mol.cpp:491,14'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/mol.cpp:492,14'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/mol.cpp:493,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:494,36'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:494,21'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/mol.cpp:496,35'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:496,20'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/mol.cpp:521,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:493,46'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:500,14'
          Dst:             _ZN9OpenBabel8OBBitVecoRERKS0_
        - Src:             'src/mol.cpp:501,22'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/mol.cpp:503,18'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/mol.cpp:504,27'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/mol.cpp:504,49'
          Dst:             _ZNK9OpenBabel8OBBitVec6EndBitEv
        - Src:             'src/mol.cpp:506,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/mol.cpp:507,35'
          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:508,44'
          Dst:             _ZN9OpenBabel6OBBond13GetNbrAtomIdxEPNS_6OBAtomE
        - Src:             'src/mol.cpp:508,29'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/mol.cpp:509,41'
          Dst:             _ZN9OpenBabel6OBBond13GetNbrAtomIdxEPNS_6OBAtomE
        - Src:             'src/mol.cpp:509,26'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/mol.cpp:507,66'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:504,67'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/mol.cpp:512,18'
          Dst:             _ZN9OpenBabel8OBBitVecoRERKS0_
        - Src:             'src/mol.cpp:513,18'
          Dst:             _ZN9OpenBabel8OBBitVecoRERKS0_
        - Src:             'src/mol.cpp:514,18'
          Dst:             _ZN9OpenBabel8OBBitVecoRERKS0_
        - Src:             'src/mol.cpp:515,18'
          Dst:             _ZN9OpenBabel8OBBitVecaSERKS0_
        - Src:             'src/mol.cpp:518,16'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/mol.cpp:518,32'
          Dst:             _ZNK9OpenBabel8OBBitVec9CountBitsEv
        - Src:             'src/mol.cpp:518,51'
          Dst:             _ZNK9OpenBabel8OBBitVec9CountBitsEv
        - Src:             'src/mol.cpp:519,14'
          Dst:             _ZN9OpenBabel8OBBitVecaSERKS0_
        - Src:             'src/mol.cpp:521,3'
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        - Src:             'src/ring.cpp:411,9'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/ring.cpp:412,25'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/ring.cpp:412,9'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/ring.cpp:413,31'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/ring.cpp:413,5'
          Dst:             _ZN9OpenBabelL18BuildOBRTreeVectorEPNS_6OBAtomEPNS_7OBRTreeERNSt3__16vectorIS3_NS4_9allocatorIS3_EEEERNS_8OBBitVecE
        - Src:             'src/ring.cpp:414,31'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/ring.cpp:414,5'
          Dst:             _ZN9OpenBabelL18BuildOBRTreeVectorEPNS_6OBAtomEPNS_7OBRTreeERNSt3__16vectorIS3_NS4_9allocatorIS3_EEEERNS_8OBBitVecE
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          Dst:             _ZN9OpenBabel12OBRingSearchD2Ev
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          Dst:             _ZN9OpenBabel11OBRotorRule16GetSmartsPatternEv
        - Src:             'src/rotor.cpp:909,15'
          Dst:             _ZN9OpenBabel11OBRotorRule17GetReferenceAtomsEPi
        - Src:             'src/rotor.cpp:913,18'
          Dst:             _ZN9OpenBabel15OBSmartsPattern15RestrictedMatchERNS_5OBMolERNSt3__16vectorINS3_4pairIiiEENS3_9allocatorIS6_EEEEb
        - Src:             'src/rotor.cpp:916,22'
          Dst:             _ZN9OpenBabel15OBSmartsPattern15RestrictedMatchERNS_5OBMolERNSt3__16vectorINS3_4pairIiiEENS3_9allocatorIS6_EEEEb
        - Src:             'src/rotor.cpp:920,19'
          Dst:             _ZN9OpenBabel15OBSmartsPattern10GetMapListEv
        - Src:             'src/rotor.cpp:923,22'
          Dst:             _ZN9OpenBabel11OBRotorRule14GetTorsionValsEv
        - Src:             'src/rotor.cpp:924,23'
          Dst:             _ZN9OpenBabel11OBRotorRule8GetDeltaEv
        - Src:             'src/rotor.cpp:927,18'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/rotor.cpp:928,18'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/rotor.cpp:929,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:929,63'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:931,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:931,63'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:934,22'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/rotor.cpp:935,22'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/rotor.cpp:936,21'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:944,26'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:945,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:944,52'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:952,29'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEPNS_6OBAtomES2_S2_S2_
        - Src:             'src/rotor.cpp:953,29'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEPNS_6OBAtomES2_S2_S2_
        - Src:             'src/rotor.cpp:972,27'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:974,27'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:989,29'
          Dst:             _ZN9OpenBabel11OBRotorRule15GetSmartsStringEv
        - Src:             'src/rotor.cpp:987,13'
          Dst:             snprintf
        - Src:             'src/rotor.cpp:990,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/rotor.cpp:997,16'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/rotor.cpp:998,16'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/rotor.cpp:1001,19'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:1002,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:1001,47'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:1004,19'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:1005,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:1004,47'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:1008,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:1009,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:1010,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:1011,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:1013,13'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/rotor.cpp:1013,34'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/rotor.cpp:1020,13'
          Dst:             snprintf
        - Src:             'src/rotor.cpp:1022,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/rotor.cpp:1026,15'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/rotor.cpp:1026,36'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/rotor.cpp:1033,15'
          Dst:             snprintf
        - Src:             'src/rotor.cpp:1035,26'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/rotor.cpp:1045,15'
          Dst:             snprintf
        - Src:             'src/rotor.cpp:1047,26'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
    - functionName:    _ZN9OpenBabel7OBRotor12SetEvalAtomsERNS_8OBBitVecE
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
      functionLinenumber: 435
      functionLinenumberEnd: 435
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         3
      ICount:          13
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
        - _ZN9OpenBabel8OBBitVecaSERKS0_
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'include/openbabel/rotor.h:435,50'
          Dst:             _ZN9OpenBabel8OBBitVecaSERKS0_
    - functionName:    _ZN9OpenBabel7OBRotor22RemoveSymTorsionValuesEi
      functionSourceFile: '/src/openbabel/src/rotor.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 746
      functionLinenumberEnd: 759
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         24
      ICount:          108
      EdgeCount:       27
      CyclomaticComplexity: 5
      functionsReached: []
      functionUses:    1
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel7OBRotor7GetBondEv
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
      functionLinenumber: 332
      functionLinenumberEnd: 333
      functionDepth:   0
      returnType:      'N/A'
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         1
      ICount:          6
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    4
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel7OBRotor6SetIdxEi
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
      functionLinenumber: 169
      functionLinenumberEnd: 171
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         1
      ICount:          5
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    1
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel7OBRotor7SetBondEPNS_6OBBondE
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
      functionLinenumber: 156
      functionLinenumberEnd: 159
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         3
      ICount:          14
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
        - _ZN9OpenBabel7OBRotor8SetRingsEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'include/openbabel/rotor.h:158,7'
          Dst:             _ZN9OpenBabel7OBRotor8SetRingsEv
    - functionName:    _ZN9OpenBabelL12CompareRotorERKNSt3__14pairIPNS_6OBBondEiEES6_
      functionSourceFile: '/src/openbabel/src/rotor.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 481
      functionLinenumberEnd: 483
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         1
      ICount:          10
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    1
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel11OBRotorList11IsFixedBondEPNS_6OBBondE
      functionSourceFile: '/src/openbabel/src/rotor.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 145
      functionLinenumberEnd: 186
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         38
      ICount:          137
      EdgeCount:       52
      CyclomaticComplexity: 16
      functionsReached:
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond6GetIdxEv
        - _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - _ZNK9OpenBabel8OBBitVecixEi
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/rotor.cpp:146,21'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/rotor.cpp:146,46'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/rotor.cpp:150,22'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/rotor.cpp:151,41'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/rotor.cpp:151,26'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/rotor.cpp:154,21'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/rotor.cpp:161,16'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/rotor.cpp:162,16'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/rotor.cpp:163,26'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:163,10'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/rotor.cpp:163,56'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:163,40'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/rotor.cpp:167,19'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:168,39'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:168,23'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/rotor.cpp:167,47'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:178,19'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:179,39'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:179,23'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/rotor.cpp:178,47'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
    - functionName:    _ZN9OpenBabel11OBRotorList13HasFixedBondsEv
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
      functionLinenumber: 504
      functionLinenumberEnd: 505
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         3
      ICount:          14
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
        - _ZNK9OpenBabel8OBBitVec7IsEmptyEv
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'include/openbabel/rotor.h:505,27'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
    - functionName:    _ZN9OpenBabel11OBRotorList13RemoveSymValsERNS_5OBMolE
      functionSourceFile: '/src/openbabel/src/rotor.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 241
      functionLinenumberEnd: 287
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         122
      ICount:          565
      EdgeCount:       128
      CyclomaticComplexity: 8
      functionsReached:
        - _ZN9OpenBabel10OBGraphSym11GetSymmetryERNSt3__16vectorIjNS1_9allocatorIjEEEE
        - _ZN9OpenBabel10OBGraphSymC2EPNS_5OBMolEPKNS_8OBBitVecE
        - _ZN9OpenBabel10OBGraphSymD2Ev
        - _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZN9OpenBabel7OBRotor22RemoveSymTorsionValuesEi
        - _ZN9OpenBabel7OBRotor4SizeEv
        - _ZN9OpenBabel7OBRotor7GetBondEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom6GetHybEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/rotor.cpp:242,16'
          Dst:             _ZN9OpenBabel10OBGraphSymC2EPNS_5OBMolEPKNS_8OBBitVecE
        - Src:             'src/rotor.cpp:244,8'
          Dst:             _ZN9OpenBabel10OBGraphSym11GetSymmetryERNSt3__16vectorIjNS1_9allocatorIjEEEE
        - Src:             'src/rotor.cpp:249,18'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/rotor.cpp:250,29'
          Dst:             _ZN9OpenBabel7OBRotor7GetBondEv
        - Src:             'src/rotor.cpp:251,27'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/rotor.cpp:252,29'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/rotor.cpp:265,26'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:265,60'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/rotor.cpp:265,90'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/rotor.cpp:269,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/rotor.cpp:265,26'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:265,60'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/rotor.cpp:265,90'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/rotor.cpp:269,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/rotor.cpp:265,26'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:265,60'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/rotor.cpp:265,90'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/rotor.cpp:269,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/rotor.cpp:267,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/rotor.cpp:265,26'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/rotor.cpp:265,90'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
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          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/rotor.cpp:269,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/rotor.cpp:278,34'
          Dst:             _ZN9OpenBabel7OBRotor4SizeEv
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          Dst:             _ZN9OpenBabel7OBRotor22RemoveSymTorsionValuesEi
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:283,70'
          Dst:             _ZN9OpenBabel7OBRotor4SizeEv
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          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/rotor.cpp:287,3'
          Dst:             _ZN9OpenBabel10OBGraphSymD2Ev
        - Src:             'src/rotor.cpp:287,3'
          Dst:             _ZN9OpenBabel10OBGraphSymD2Ev
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      functionLinenumberEnd: 341
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      argTypes:
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      ICount:          13
      EdgeCount:       3
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      functionsReached: []
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      constantsTouched: []
      argNames:
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      BBCount:         27
      ICount:          165
      EdgeCount:       52
      CyclomaticComplexity: 27
      functionsReached:
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        - _ZN9OpenBabel7OBRotor11SetRotAtomsERNSt3__16vectorIiNS1_9allocatorIiEEEE
        - _ZN9OpenBabel7OBRotor16SetDihedralAtomsEPi
        - _ZN9OpenBabel7OBRotor16SetTorsionValuesERNSt3__16vectorIdNS1_9allocatorIdEEEE
        - _ZN9OpenBabel7OBRotor7GetBondEv
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel7OBRotor7GetBondEv
        - Src:             'src/rotor.cpp:352,11'
          Dst:             _ZN9OpenBabel12OBRotorRules18GetRotorIncrementsERNS_5OBMolEPNS_6OBBondEPiRNSt3__16vectorIdNS6_9allocatorIdEEEERd
        - Src:             'src/rotor.cpp:353,14'
          Dst:             _ZN9OpenBabel7OBRotor16SetTorsionValuesERNSt3__16vectorIdNS1_9allocatorIdEEEE
        - Src:             'src/rotor.cpp:362,11'
          Dst:             _ZN9OpenBabel5OBMol12FindChildrenERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - Src:             'src/rotor.cpp:363,34'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/rotor.cpp:366,13'
          Dst:             _ZN9OpenBabel5OBMol12FindChildrenERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - Src:             'src/rotor.cpp:376,14'
          Dst:             _ZN9OpenBabel7OBRotor11SetRotAtomsERNSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/rotor.cpp:377,14'
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      BBCount:         81
      ICount:          297
      EdgeCount:       140
      CyclomaticComplexity: 61
      functionsReached:
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        - _ZN9OpenBabel11OBRotorList11IsFixedBondEPNS_6OBBondE
        - _ZN9OpenBabel11OBRotorList13HasFixedBondsEv
        - _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond7IsRotorEb
        - _ZN9OpenBabel7OBRotor12SetEvalAtomsERNS_8OBBitVecE
        - _ZN9OpenBabel7OBRotor7GetBondEv
        - _ZN9OpenBabel8OBBitVec5ClearEv
        - _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - _ZN9OpenBabel8OBBitVecC2Ev
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZN9OpenBabel8OBBitVecaSERKS0_
        - _ZN9OpenBabel8OBBitVecoRERKS0_
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - _ZNK9OpenBabel8OBBitVec6EndBitEv
        - _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - _ZNK9OpenBabel8OBBitVec7NextBitEi
        - _ZNK9OpenBabel8OBBitVecixEi
      functionUses:    1
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/rotor.cpp:296,19'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/rotor.cpp:296,24'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/rotor.cpp:299,18'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/rotor.cpp:301,23'
          Dst:             _ZN9OpenBabel7OBRotor7GetBondEv
        - Src:             'src/rotor.cpp:302,14'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/rotor.cpp:303,14'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/rotor.cpp:304,29'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/rotor.cpp:304,14'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/rotor.cpp:305,29'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/rotor.cpp:305,14'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/rotor.cpp:306,14'
          Dst:             _ZN9OpenBabel8OBBitVecoRERKS0_
        - Src:             'src/rotor.cpp:309,21'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/rotor.cpp:311,18'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/rotor.cpp:312,27'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/rotor.cpp:312,48'
          Dst:             _ZNK9OpenBabel8OBBitVec6EndBitEv
        - Src:             'src/rotor.cpp:314,26'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/rotor.cpp:315,31'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:316,33'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:316,24'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/rotor.cpp:317,41'
          Dst:             _ZN9OpenBabel6OBBond7IsRotorEb
        - Src:             'src/rotor.cpp:317,78'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/rotor.cpp:317,89'
          Dst:             _ZN9OpenBabel11OBRotorList13HasFixedBondsEv
        - Src:             'src/rotor.cpp:317,107'
          Dst:             _ZN9OpenBabel11OBRotorList11IsFixedBondEPNS_6OBBondE
        - Src:             'src/rotor.cpp:319,43'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:319,30'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/rotor.cpp:320,43'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:320,30'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/rotor.cpp:339,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/rotor.cpp:315,59'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:312,66'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/rotor.cpp:323,18'
          Dst:             _ZN9OpenBabel8OBBitVecaSERKS0_
        - Src:             'src/rotor.cpp:327,14'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/rotor.cpp:328,23'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/rotor.cpp:328,44'
          Dst:             _ZNK9OpenBabel8OBBitVec6EndBitEv
        - Src:             'src/rotor.cpp:330,22'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/rotor.cpp:331,27'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:332,33'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:332,20'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/rotor.cpp:331,55'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:328,62'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/rotor.cpp:334,14'
          Dst:             _ZN9OpenBabel8OBBitVecoRERKS0_
        - Src:             'src/rotor.cpp:335,16'
          Dst:             _ZN9OpenBabel7OBRotor12SetEvalAtomsERNS_8OBBitVecE
        - Src:             'src/rotor.cpp:299,46'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/rotor.cpp:339,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/rotor.cpp:339,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/rotor.cpp:339,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/rotor.cpp:339,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/rotor.cpp:339,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel11OBRotorList10FindRotorsERNS_5OBMolEb
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      linkageType:     InternalLinkage
      functionLinenumber: 89
      functionLinenumberEnd: 142
      functionDepth:   0
      returnType:      bool
      argCount:        3
      argTypes:
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        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
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        - ''
        - ''
      BBCount:         61
      ICount:          270
      EdgeCount:       111
      CyclomaticComplexity: 52
      functionsReached:
        - _ZN9OpenBabel11OBRotorList11IsFixedBondEPNS_6OBBondE
        - _ZN9OpenBabel11OBRotorList13HasFixedBondsEv
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel5OBMol12GetGTDVectorERNSt3__16vectorIiNS1_9allocatorIiEEEE
        - _ZN9OpenBabel5OBMol21FindRingAtomsAndBondsEv
        - _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond7IsRotorEb
        - _ZN9OpenBabel7OBRotor6SetIdxEi
        - _ZN9OpenBabel7OBRotor7SetBondEPNS_6OBBondE
        - _ZN9OpenBabel7OBRotorC2Ev
        - _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - _ZNK9OpenBabel6OBBond8IsInRingEv
        - _ZNK9OpenBabel8OBBitVec7IsEmptyEv
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/rotor.cpp:92,9'
          Dst:             _ZN9OpenBabel5OBMol21FindRingAtomsAndBondsEv
        - Src:             'src/rotor.cpp:94,16'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/rotor.cpp:106,9'
          Dst:             _ZN9OpenBabel5OBMol12GetGTDVectorERNSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/rotor.cpp:110,29'
          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:112,17'
          Dst:             _ZN9OpenBabel6OBBond7IsRotorEb
        - Src:             'src/rotor.cpp:114,27'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/rotor.cpp:114,40'
          Dst:             _ZN9OpenBabel11OBRotorList13HasFixedBondsEv
        - Src:             'src/rotor.cpp:114,60'
          Dst:             _ZN9OpenBabel11OBRotorList11IsFixedBondEPNS_6OBBondE
        - Src:             'src/rotor.cpp:117,19'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/rotor.cpp:122,31'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/rotor.cpp:122,64'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/rotor.cpp:110,58'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:135,28'
          Dst:             _ZN9OpenBabel7OBRotorC2Ev
        - Src:             'src/rotor.cpp:136,14'
          Dst:             _ZN9OpenBabel7OBRotor7SetBondEPNS_6OBBondE
        - Src:             'src/rotor.cpp:137,14'
          Dst:             _ZN9OpenBabel7OBRotor6SetIdxEi
    - functionName:    _ZN9OpenBabel11OBRotorList5ClearEv
      functionSourceFile: '/src/openbabel/src/rotor.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 471
      functionLinenumberEnd: 478
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         12
      ICount:          62
      EdgeCount:       15
      CyclomaticComplexity: 5
      functionsReached:
        - _ZN9OpenBabel7OBRotorD2Ev
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/rotor.cpp:474,7'
          Dst:             _ZN9OpenBabel7OBRotorD2Ev
    - functionName:    _ZN9OpenBabel11OBRotorList5SetupERNS_5OBMolEb
      functionSourceFile: '/src/openbabel/src/rotor.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 57
      functionLinenumberEnd: 86
      functionDepth:   0
      returnType:      bool
      argCount:        3
      argTypes:
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        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
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        - ''
        - ''
      BBCount:         23
      ICount:          118
      EdgeCount:       25
      CyclomaticComplexity: 4
      functionsReached:
        - _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - _ZN9OpenBabel11OBRotorList10FindRotorsERNS_5OBMolEb
        - _ZN9OpenBabel11OBRotorList12SetEvalAtomsERNS_5OBMolE
        - _ZN9OpenBabel11OBRotorList13AssignTorValsERNS_5OBMolE
        - _ZN9OpenBabel11OBRotorList13RemoveSymValsERNS_5OBMolE
        - _ZN9OpenBabel11OBRotorList4SizeEv
        - _ZN9OpenBabel11OBRotorList5ClearEv
        - _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel7OBRotor16GetDihedralAtomsEPi
        - _ZN9OpenBabel7OBRotor4SizeEv
        - snprintf
      functionUses:    4
      BranchProfiles:  []
      Callsites:
        - Src:             'src/rotor.cpp:58,5'
          Dst:             _ZN9OpenBabel11OBRotorList5ClearEv
        - Src:             'src/rotor.cpp:60,5'
          Dst:             _ZN9OpenBabel11OBRotorList10FindRotorsERNS_5OBMolEb
        - Src:             'src/rotor.cpp:61,10'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/rotor.cpp:65,5'
          Dst:             _ZN9OpenBabel11OBRotorList12SetEvalAtomsERNS_5OBMolE
        - Src:             'src/rotor.cpp:66,5'
          Dst:             _ZN9OpenBabel11OBRotorList13AssignTorValsERNS_5OBMolE
        - Src:             'src/rotor.cpp:70,18'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/rotor.cpp:71,19'
          Dst:             _ZN9OpenBabel7OBRotor4SizeEv
        - Src:             'src/rotor.cpp:74,18'
          Dst:             _ZN9OpenBabel7OBRotor16GetDihedralAtomsEPi
        - Src:             'src/rotor.cpp:76,11'
          Dst:             snprintf
        - Src:             'src/rotor.cpp:78,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/rotor.cpp:70,46'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/rotor.cpp:83,7'
          Dst:             _ZN9OpenBabel11OBRotorList13RemoveSymValsERNS_5OBMolE
    - functionName:    _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
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      linkageType:     InternalLinkage
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      functionLinenumberEnd: 236
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         37
      ICount:          173
      EdgeCount:       60
      CyclomaticComplexity: 25
      functionsReached:
        - getenv
      functionUses:    34
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:730,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:732,13'
          Dst:             _ZN9OpenBabel6OBAtom11SetAromaticEb
        - Src:             'src/typer.cpp:734,31'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:735,31'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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      linkageType:     InternalLinkage
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      functionLinenumberEnd: 580
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      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         3
      ICount:          19
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    2
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel23OBAromaticTyperMolStateC2ERNS_5OBMolE
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      linkageType:     InternalLinkage
      functionLinenumber: 584
      functionLinenumberEnd: 589
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      returnType:      void
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      argTypes:
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        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
      BBCount:         8
      ICount:          57
      EdgeCount:       11
      CyclomaticComplexity: 5
      functionsReached:
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      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/typer.cpp:585,23'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/typer.cpp:586,25'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/typer.cpp:587,24'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/typer.cpp:588,25'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
    - functionName:    _ZN9OpenBabel5OBMol20HasAromaticPerceivedEv
      functionSourceFile: '/src/openbabel/include/openbabel/mol.h'
      linkageType:     InternalLinkage
      functionLinenumber: 584
      functionLinenumberEnd: 584
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         3
      ICount:          12
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
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      functionUses:    4
      BranchProfiles:  []
      Callsites:
        - Src:             'include/openbabel/mol.h:584,46'
          Dst:             _ZN9OpenBabel5OBMol7HasFlagEi
    - functionName:    _ZN9OpenBabel23OBAromaticTyperMolState16CheckAromaticityEPNS_6OBAtomEi
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      argNames:
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      ICount:          69
      EdgeCount:       18
      CyclomaticComplexity: 6
      functionsReached:
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        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom11SetAromaticEb
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond11SetAromaticEb
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond8IsInRingEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/typer.cpp:746,22'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:747,17'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/typer.cpp:749,33'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:751,15'
          Dst:             _ZN9OpenBabel23OBAromaticTyperMolState13TraverseCycleEPNS_6OBAtomES2_PNS_6OBBondERNSt3__14pairIiiEEi
        - Src:             'src/typer.cpp:753,21'
          Dst:             _ZN9OpenBabel6OBAtom11SetAromaticEb
        - Src:             'src/typer.cpp:754,31'
          Dst:             _ZN9OpenBabel6OBBond11SetAromaticEb
        - Src:             'src/typer.cpp:746,54'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
    - functionName:    _ZN9OpenBabel23OBAromaticTyperMolState16ExcludeSmallRingEv
      functionSourceFile: '/src/openbabel/src/typer.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 982
      functionLinenumberEnd: 995
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         37
      ICount:          185
      EdgeCount:       50
      CyclomaticComplexity: 15
      functionsReached:
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel6OBAtom11IsConnectedEPS0_
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond8IsInRingEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/typer.cpp:987,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/typer.cpp:988,23'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:989,27'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:990,21'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/typer.cpp:990,46'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:991,31'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:992,41'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/typer.cpp:992,66'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:993,27'
          Dst:             _ZN9OpenBabel6OBAtom11IsConnectedEPS0_
        - Src:             'src/typer.cpp:994,31'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:991,65'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:989,61'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:987,50'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
    - functionName:    _ZN9OpenBabel23OBAromaticTyperMolState15SelectRootAtomsEb
      functionSourceFile: '/src/openbabel/src/typer.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 804
      functionLinenumberEnd: 979
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
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        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         143
      ICount:          681
      EdgeCount:       156
      CyclomaticComplexity: 15
      functionsReached:
        - _ZN9OpenBabel5OBMol7GetSSSREv
        - _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond9IsClosureEv
        - _ZN9OpenBabel6OBRing8IsInRingEi
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBAtom8IsInRingEv
        - _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/typer.cpp:810,36'
          Dst:             _ZN9OpenBabel5OBMol7GetSSSREv
        - Src:             'src/typer.cpp:824,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:826,19'
          Dst:             _ZN9OpenBabel6OBBond9IsClosureEv
        - Src:             'src/typer.cpp:831,46'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/typer.cpp:824,50'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:826,19'
          Dst:             _ZN9OpenBabel6OBBond9IsClosureEv
        - Src:             'src/typer.cpp:824,50'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:839,30'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/typer.cpp:859,26'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/typer.cpp:866,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/typer.cpp:869,30'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:874,26'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/typer.cpp:877,30'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/typer.cpp:869,62'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:943,50'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/typer.cpp:943,68'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:946,47'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/typer.cpp:950,51'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/typer.cpp:944,55'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/typer.cpp:944,73'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:958,74'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/typer.cpp:958,91'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:958,60'
          Dst:             _ZN9OpenBabel6OBRing8IsInRingEi
        - Src:             'src/typer.cpp:902,38'
          Dst:             _ZN9OpenBabel6OBRing8IsInRingEi
        - Src:             'src/typer.cpp:859,26'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
    - functionName:    _ZN9OpenBabel23OBAromaticTyperMolState26PropagatePotentialAromaticEPNS_6OBAtomE
      functionSourceFile: '/src/openbabel/src/typer.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 760
      functionLinenumberEnd: 784
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         22
      ICount:          113
      EdgeCount:       29
      CyclomaticComplexity: 9
      functionsReached:
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond8IsInRingEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/typer.cpp:771,26'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:772,21'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/typer.cpp:772,45'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:771,60'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:781,20'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
    - functionName:    _ZN9OpenBabelL24AssignOBAromaticityModelEPNS_6OBAtomERiS2_
      functionSourceFile: '/src/openbabel/src/typer.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 385
      functionLinenumberEnd: 578
      functionDepth:   0
      returnType:      bool
      argCount:        3
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         120
      ICount:          447
      EdgeCount:       134
      CyclomaticComplexity: 16
      functionsReached:
        - _ZN9OpenBabelL17FindExocyclicAtomEPNS_6OBAtomE
        - _ZN9OpenBabelL24HasExocyclicDblBondToHetEPNS_6OBAtomE
        - _ZN9OpenBabelL27HasExocyclicDblBondToOxygenEPNS_6OBAtomE
        - _ZN9OpenBabelL29HasExocyclicBondToOxygenMinusEPNS_6OBAtomE
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - _ZNK9OpenBabel6OBAtom8IsInRingEv
      functionUses:    1
      BranchProfiles:
        - Branch String:   'src/typer.cpp:405,5'
          Branch Sides:    []
        - Branch String:   'src/typer.cpp:407,7'
          Branch Sides:    []
        - Branch String:   'src/typer.cpp:420,11'
          Branch Sides:    []
        - Branch String:   'src/typer.cpp:430,11'
          Branch Sides:    []
        - Branch String:   'src/typer.cpp:443,7'
          Branch Sides:    []
        - Branch String:   'src/typer.cpp:445,9'
          Branch Sides:    []
        - Branch String:   'src/typer.cpp:447,11'
          Branch Sides:    []
        - Branch String:   'src/typer.cpp:482,7'
          Branch Sides:    []
        - Branch String:   'src/typer.cpp:495,7'
          Branch Sides:    []
        - Branch String:   'src/typer.cpp:497,9'
          Branch Sides:    []
        - Branch String:   'src/typer.cpp:511,11'
          Branch Sides:    []
        - Branch String:   'src/typer.cpp:525,9'
          Branch Sides:    []
        - Branch String:   'src/typer.cpp:535,7'
          Branch Sides:    []
        - Branch String:   'src/typer.cpp:538,11'
          Branch Sides:    []
        - Branch String:   'src/typer.cpp:556,9'
          Branch Sides:    []
      Callsites:
        - Src:             'src/typer.cpp:396,15'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/typer.cpp:400,30'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/typer.cpp:401,20'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/typer.cpp:402,29'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/typer.cpp:402,56'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/typer.cpp:403,29'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/typer.cpp:403,57'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/typer.cpp:410,15'
          Dst:             _ZN9OpenBabelL24HasExocyclicDblBondToHetEPNS_6OBAtomE
        - Src:             'src/typer.cpp:456,37'
          Dst:             _ZN9OpenBabelL17FindExocyclicAtomEPNS_6OBAtomE
        - Src:             'src/typer.cpp:504,27'
          Dst:             _ZN9OpenBabelL27HasExocyclicDblBondToOxygenEPNS_6OBAtomE
        - Src:             'src/typer.cpp:515,17'
          Dst:             _ZN9OpenBabelL29HasExocyclicBondToOxygenMinusEPNS_6OBAtomE
    - functionName:    _ZN9OpenBabel23OBAromaticTyperMolState19AssignAromaticFlagsEv
      functionSourceFile: '/src/openbabel/src/typer.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 613
      functionLinenumberEnd: 654
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         39
      ICount:          215
      EdgeCount:       51
      CyclomaticComplexity: 14
      functionsReached:
        - _ZN9OpenBabel23OBAromaticTyperMolState15SelectRootAtomsEb
        - _ZN9OpenBabel23OBAromaticTyperMolState16CheckAromaticityEPNS_6OBAtomEi
        - _ZN9OpenBabel23OBAromaticTyperMolState16ExcludeSmallRingEv
        - _ZN9OpenBabel23OBAromaticTyperMolState26PropagatePotentialAromaticEPNS_6OBAtomE
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom11SetAromaticEb
        - _ZN9OpenBabel6OBBond11SetAromaticEb
        - _ZN9OpenBabelL24AssignOBAromaticityModelEPNS_6OBAtomERiS2_
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/typer.cpp:620,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/typer.cpp:621,13'
          Dst:             _ZN9OpenBabel6OBAtom11SetAromaticEb
        - Src:             'src/typer.cpp:620,52'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/typer.cpp:622,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:623,13'
          Dst:             _ZN9OpenBabel6OBBond11SetAromaticEb
        - Src:             'src/typer.cpp:622,52'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:626,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/typer.cpp:626,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/typer.cpp:626,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
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          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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        - _ZN9OpenBabel12OBCanSmiNodeD2Ev
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        - _ZN9OpenBabel12OBMol2Cansmi14BuildCanonTreeERNS_5OBMolERNS_8OBBitVecERNSt3__16vectorIjNS5_9allocatorIjEEEEPNS_12OBCanSmiNodeE
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        - _ZN9OpenBabel5OBMol10IsReactionEv
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        - _ZN9OpenBabel6OBAtom10BeginBondsEv
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom13HasDoubleBondEv
        - _ZN9OpenBabel6OBAtom13HasSingleBondEv
        - _ZN9OpenBabel8OBBitVecC2Ev
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZN9OpenBabel8OBBitVecoRERKS0_
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        - _ZNK9OpenBabel5OBMol11NumHvyAtomsEv
        - _ZNK9OpenBabel5OBMol7GetAtomEi
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        - _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
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        - _ZNK9OpenBabel6OBAtom6GetIdxEv
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        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
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          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
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          Dst:             atoi
        - Src:             'src/formats/smilesformat.cpp:3848,42'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/smilesformat.cpp:3849,22'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/smilesformat.cpp:3851,18'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/smilesformat.cpp:3852,22'
          Dst:             atoi
        - Src:             'src/formats/smilesformat.cpp:3853,42'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/smilesformat.cpp:3854,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/smilesformat.cpp:3861,7'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/smilesformat.cpp:3862,38'
          Dst:             _ZNK9OpenBabel5OBMol11NumHvyAtomsEv
        - Src:             'src/formats/smilesformat.cpp:3866,32'
          Dst:             atoi
        - Src:             'src/formats/smilesformat.cpp:3868,46'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/smilesformat.cpp:3869,28'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/smilesformat.cpp:3873,37'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/smilesformat.cpp:3875,25'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi10ParseInChIERNS_5OBMolERNSt3__16vectorIiNS3_9allocatorIiEEEE
        - Src:             'src/formats/smilesformat.cpp:3885,16'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/formats/smilesformat.cpp:3887,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/smilesformat.cpp:3895,35'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/smilesformat.cpp:3888,25'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/formats/smilesformat.cpp:3888,50'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/formats/smilesformat.cpp:3890,45'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/smilesformat.cpp:3890,29'
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        - Src:             'src/formats/smilesformat.cpp:3890,9'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/formats/smilesformat.cpp:3891,17'
          Dst:             _ZN9OpenBabel8OBBitVecoRERKS0_
        - Src:             'src/formats/smilesformat.cpp:3887,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/smilesformat.cpp:3890,9'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/formats/smilesformat.cpp:3913,43'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/smilesformat.cpp:3897,20'
          Dst:             _ZN9OpenBabel10OBGraphSymC2EPNS_5OBMolEPKNS_8OBBitVecE
        - Src:             'src/formats/smilesformat.cpp:3899,12'
          Dst:             _ZN9OpenBabel10OBGraphSym11GetSymmetryERNSt3__16vectorIjNS1_9allocatorIjEEEE
        - Src:             'src/formats/smilesformat.cpp:3901,41'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/smilesformat.cpp:3904,7'
          Dst:             _ZN9OpenBabel10OBGraphSymD2Ev
        - Src:             'src/formats/smilesformat.cpp:3902,28'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/formats/smilesformat.cpp:3901,41'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/smilesformat.cpp:3904,7'
          Dst:             _ZN9OpenBabel10OBGraphSymD2Ev
        - Src:             'src/formats/smilesformat.cpp:3917,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/smilesformat.cpp:3922,7'
          Dst:             _ZN9OpenBabel15CanonicalLabelsEPNS_5OBMolERKNSt3__16vectorIjNS2_9allocatorIjEEEERS6_RKNS_8OBBitVecEib
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/formats/smilesformat.cpp:3923,5'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/formats/smilesformat.cpp:3925,19'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/smilesformat.cpp:3926,9'
          Dst:             _ZN9OpenBabel12RandomLabelsEPNS_5OBMolERNS_8OBBitVecERNSt3__16vectorIjNS4_9allocatorIjEEEES9_
        - Src:             'src/formats/smilesformat.cpp:3928,36'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/smilesformat.cpp:3929,37'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/smilesformat.cpp:3939,21'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/smilesformat.cpp:3939,35'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:3939,81'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/smilesformat.cpp:3939,95'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/smilesformat.cpp:3940,40'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/smilesformat.cpp:3940,54'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/smilesformat.cpp:3945,9'
          Dst:             _ZN9OpenBabel14StandardLabelsEPNS_5OBMolEPNS_8OBBitVecERNSt3__16vectorIjNS4_9allocatorIjEEEES9_
        - Src:             'src/formats/smilesformat.cpp:3955,22'
          Dst:             _ZN9OpenBabel5OBMol10IsReactionEv
        - Src:             'src/formats/smilesformat.cpp:3956,22'
          Dst:             _ZN9OpenBabel16OBReactionFacadeC2EPNS_5OBMolE
        - Src:             'src/formats/smilesformat.cpp:3959,19'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/smilesformat.cpp:3970,34'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3970,14'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/formats/smilesformat.cpp:3971,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3971,23'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/formats/smilesformat.cpp:3972,27'
          Dst:             _ZN9OpenBabel16OBReactionFacade7GetRoleEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3976,25'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/smilesformat.cpp:3977,27'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3979,16'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/formats/smilesformat.cpp:3980,29'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/formats/smilesformat.cpp:3981,33'
          Dst:             _ZN9OpenBabel16OBReactionFacade7GetRoleEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3976,57'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/smilesformat.cpp:3990,22'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/smilesformat.cpp:3991,41'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/smilesformat.cpp:3991,78'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/formats/smilesformat.cpp:3992,28'
          Dst:             _ZN9OpenBabel6OBAtom13HasSingleBondEv
        - Src:             'src/formats/smilesformat.cpp:3992,59'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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        - Src:             'src/formats/smilesformat.cpp:3167,31'
          Dst:             _ZN9OpenBabelL15NeedsBondSymbolEPNS_6OBBondE
        - Src:             'src/formats/smilesformat.cpp:3170,22'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/formats/smilesformat.cpp:3171,41'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:3172,36'
          Dst:             _ZN9OpenBabelL15NeedsBondSymbolEPNS_6OBBondE
        - Src:             'src/formats/smilesformat.cpp:3179,67'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3170,22'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/formats/smilesformat.cpp:3171,41'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:3172,36'
          Dst:             _ZN9OpenBabelL15NeedsBondSymbolEPNS_6OBBondE
        - Src:             'src/formats/smilesformat.cpp:3179,67'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3155,56'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/smilesformat.cpp:3189,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3189,13'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/formats/smilesformat.cpp:3191,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3191,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/formats/smilesformat.cpp:3201,7'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi14MyFindChildrenERNS_5OBMolERNSt3__16vectorIPNS_6OBAtomENS3_9allocatorIS6_EEEERNS_8OBBitVecES6_
        - Src:             'src/formats/smilesformat.cpp:3216,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3217,11'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/formats/smilesformat.cpp:3219,20'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/formats/smilesformat.cpp:3220,30'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3220,15'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/formats/smilesformat.cpp:3221,18'
          Dst:             _ZN9OpenBabel12OBCanSmiNodeC2EPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3222,13'
          Dst:             _ZN9OpenBabel12OBCanSmiNode9SetParentEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3223,13'
          Dst:             _ZN9OpenBabel12OBCanSmiNode12AddChildNodeEPS0_PNS_6OBBondE
        - Src:             'src/formats/smilesformat.cpp:3224,7'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi14BuildCanonTreeERNS_5OBMolERNS_8OBBitVecERNSt3__16vectorIjNS5_9allocatorIjEEEEPNS_12OBCanSmiNodeE
    - functionName:    _ZN9OpenBabel12OBMol2Cansmi17ToCansmilesStringEPNS_12OBCanSmiNodeERNSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEERNS_8OBBitVecERNS3_6vectorIjNS7_IjEEEESG_
      functionSourceFile: '/src/openbabel/src/formats/smilesformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 3429
      functionLinenumberEnd: 3613
      functionDepth:   0
      returnType:      void
      argCount:        6
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
        - ''
        - ''
      BBCount:         199
      ICount:          877
      EdgeCount:       203
      CyclomaticComplexity: 6
      functionsReached:
        - _ZN9OpenBabel12OBCanSmiNode12GetChildAtomEi
        - _ZN9OpenBabel12OBCanSmiNode12GetChildBondEi
        - _ZN9OpenBabel12OBCanSmiNode12GetChildNodeEi
        - _ZN9OpenBabel12OBCanSmiNode4SizeEv
        - _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
        - _ZN9OpenBabel12OBCanSmiNode9GetParentEv
        - _ZN9OpenBabel12OBMol2Cansmi12AtomIsChiralEPNS_6OBAtomE
        - _ZN9OpenBabel12OBMol2Cansmi16GetSmilesElementEPNS_12OBCanSmiNodeERNSt3__16vectorIPNS_6OBAtomENS3_9allocatorIS6_EEEERNS4_IjNS7_IjEEEERNS3_12basic_stringIcNS3_11char_traitsIcEENS7_IcEEEE
        - _ZN9OpenBabel12OBMol2Cansmi16HasStereoDblBondEPNS_6OBBondEPNS_6OBAtomE
        - _ZN9OpenBabel12OBMol2Cansmi17ToCansmilesStringEPNS_12OBCanSmiNodeERNSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEERNS_8OBBitVecERNS3_6vectorIjNS7_IjEEEESG_
        - _ZN9OpenBabel12OBMol2Cansmi20IsSuppressedHydrogenEPNS_6OBAtomE
        - _ZN9OpenBabel12OBMol2Cansmi21GetCanonClosureDigitsEPNS_6OBAtomERNS_8OBBitVecERNSt3__16vectorIjNS5_9allocatorIjEEEE
        - _ZN9OpenBabel12OBMol2Cansmi21GetCisTransBondSymbolEPNS_6OBBondEPNS_12OBCanSmiNodeE
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZN9OpenBabelL15CanHaveLonePairEj
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel6OBBond8IsInRingEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - snprintf
      functionUses:    2
      BranchProfiles:
        - Branch String:   'src/formats/smilesformat.cpp:3532,13'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:3582,7'
          Branch Sides:    []
      Callsites:
        - Src:             'src/formats/smilesformat.cpp:3430,26'
          Dst:             _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
        - Src:             'src/formats/smilesformat.cpp:3436,46'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi21GetCanonClosureDigitsEPNS_6OBAtomERNS_8OBBitVecERNSt3__16vectorIjNS5_9allocatorIjEEEE
        - Src:             'src/formats/smilesformat.cpp:3446,22'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi12AtomIsChiralEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3451,17'
          Dst:             _ZN9OpenBabel12OBCanSmiNode9GetParentEv
        - Src:             'src/formats/smilesformat.cpp:3452,42'
          Dst:             _ZN9OpenBabel12OBCanSmiNode9GetParentEv
        - Src:             'src/formats/smilesformat.cpp:3469,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3469,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/formats/smilesformat.cpp:3469,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/formats/smilesformat.cpp:3469,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/formats/smilesformat.cpp:3469,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/formats/smilesformat.cpp:3471,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:3471,62'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi20IsSuppressedHydrogenEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3469,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/formats/smilesformat.cpp:3469,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/formats/smilesformat.cpp:3479,16'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/formats/smilesformat.cpp:3494,31'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3501,33'
          Dst:             _ZN9OpenBabel12OBCanSmiNode4SizeEv
        - Src:             'src/formats/smilesformat.cpp:3502,29'
          Dst:             _ZN9OpenBabel12OBCanSmiNode12GetChildAtomEi
        - Src:             'src/formats/smilesformat.cpp:3501,33'
          Dst:             _ZN9OpenBabel12OBCanSmiNode4SizeEv
        - Src:             'src/formats/smilesformat.cpp:3508,65'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:3508,43'
          Dst:             _ZN9OpenBabelL15CanHaveLonePairEj
        - Src:             'src/formats/smilesformat.cpp:3514,5'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi16GetSmilesElementEPNS_12OBCanSmiNodeERNSt3__16vectorIPNS_6OBAtomENS3_9allocatorIS6_EEEERNS4_IjNS7_IjEEEERNS3_12basic_stringIcNS3_11char_traitsIcEENS7_IcEEEE
        - Src:             'src/formats/smilesformat.cpp:3516,31'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3526,49'
          Dst:             _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
        - Src:             'src/formats/smilesformat.cpp:3526,15'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi16HasStereoDblBondEPNS_6OBBondEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3527,21'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi21GetCisTransBondSymbolEPNS_6OBBondEPNS_12OBCanSmiNodeE
        - Src:             'src/formats/smilesformat.cpp:3532,32'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:3535,31'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3535,58'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/formats/smilesformat.cpp:3535,83'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/formats/smilesformat.cpp:3535,99'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3535,126'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/formats/smilesformat.cpp:3535,140'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3539,52'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3553,72'
          Dst:             _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
        - Src:             'src/formats/smilesformat.cpp:3553,55'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3553,16'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi16HasStereoDblBondEPNS_6OBBondEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3554,21'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi21GetCisTransBondSymbolEPNS_6OBBondEPNS_12OBCanSmiNodeE
        - Src:             'src/formats/smilesformat.cpp:3563,11'
          Dst:             snprintf
        - Src:             'src/formats/smilesformat.cpp:3577,30'
          Dst:             _ZN9OpenBabel12OBCanSmiNode4SizeEv
        - Src:             'src/formats/smilesformat.cpp:3578,20'
          Dst:             _ZN9OpenBabel12OBCanSmiNode12GetChildBondEi
        - Src:             'src/formats/smilesformat.cpp:3579,23'
          Dst:             _ZN9OpenBabel12OBCanSmiNode4SizeEv
        - Src:             'src/formats/smilesformat.cpp:3579,39'
          Dst:             _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
        - Src:             'src/formats/smilesformat.cpp:3582,21'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:3585,17'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi21GetCisTransBondSymbolEPNS_6OBBondEPNS_12OBCanSmiNodeE
        - Src:             'src/formats/smilesformat.cpp:3594,22'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3594,44'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/formats/smilesformat.cpp:3594,64'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/formats/smilesformat.cpp:3594,80'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3594,102'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/formats/smilesformat.cpp:3594,116'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3599,41'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3609,31'
          Dst:             _ZN9OpenBabel12OBCanSmiNode12GetChildNodeEi
        - Src:             'src/formats/smilesformat.cpp:3609,7'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi17ToCansmilesStringEPNS_12OBCanSmiNodeERNSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEERNS_8OBBitVecERNS3_6vectorIjNS7_IjEEEESG_
        - Src:             'src/formats/smilesformat.cpp:3610,23'
          Dst:             _ZN9OpenBabel12OBCanSmiNode4SizeEv
        - Src:             'src/formats/smilesformat.cpp:3610,39'
          Dst:             _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
        - Src:             'src/formats/smilesformat.cpp:3577,30'
          Dst:             _ZN9OpenBabel12OBCanSmiNode4SizeEv
    - functionName:    _ZN9OpenBabel12OBCanSmiNodeD2Ev
      functionSourceFile: '/src/openbabel/src/formats/smilesformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 2345
      functionLinenumberEnd: 2349
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         12
      ICount:          62
      EdgeCount:       15
      CyclomaticComplexity: 5
      functionsReached:
        - _ZN9OpenBabel12OBCanSmiNodeD2Ev
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/smilesformat.cpp:2348,7'
          Dst:             _ZN9OpenBabel12OBCanSmiNodeD2Ev
    - functionName:    _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
      functionSourceFile: '/src/openbabel/src/formats/smilesformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 2304
      functionLinenumberEnd: 2305
      functionDepth:   0
      returnType:      'N/A'
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         1
      ICount:          5
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    11
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel12OBMol2Cansmi21GetCanonClosureDigitsEPNS_6OBAtomERNS_8OBBitVecERNSt3__16vectorIjNS5_9allocatorIjEEEE
      functionSourceFile: '/src/openbabel/src/formats/smilesformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 3270
      functionLinenumberEnd: 3344
      functionDepth:   0
      returnType:      void
      argCount:        5
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
        - ''
      BBCount:         70
      ICount:          343
      EdgeCount:       71
      CyclomaticComplexity: 3
      functionsReached:
        - _ZN9OpenBabel12OBMol2Cansmi14GetUnusedIndexEv
        - _ZN9OpenBabel12OBMol2Cansmi20IsSuppressedHydrogenEPNS_6OBAtomE
        - _ZN9OpenBabel17OBBondClosureInfoC2EPNS_6OBAtomES2_PNS_6OBBondEib
        - _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel6OBBond6GetIdxEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/smilesformat.cpp:3283,24'
          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/smilesformat.cpp:3286,35'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3286,19'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/formats/smilesformat.cpp:3288,21'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3291,21'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:3291,63'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi20IsSuppressedHydrogenEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3292,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3292,29'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/formats/smilesformat.cpp:3295,45'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3300,23'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3301,47'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3283,59'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/smilesformat.cpp:3316,31'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3316,15'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/formats/smilesformat.cpp:3317,19'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi14GetUnusedIndexEv
        - Src:             'src/formats/smilesformat.cpp:3318,24'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3318,50'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:3319,49'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3319,24'
          Dst:             _ZN9OpenBabel17OBBondClosureInfoC2EPNS_6OBAtomES2_PNS_6OBBondEib
        - Src:             'src/formats/smilesformat.cpp:3320,54'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3320,29'
          Dst:             _ZN9OpenBabel17OBBondClosureInfoC2EPNS_6OBAtomES2_PNS_6OBBondEib
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        - Src:             'src/formats/smilesformat.cpp:2959,27'
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        - _ZN9OpenBabel6OBAtom9GetParentEv
        - _ZN9OpenBabel6OBBase7GetDataEPKc
        - _ZN9OpenBabel6OBBase7HasDataEPKc
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
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      BranchProfiles:  []
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:2728,9'
          Dst:             _ZL22IsOutsideOrganicSubsetj
        - Src:             'src/formats/smilesformat.cpp:2733,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:2734,7'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:2734,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/formats/smilesformat.cpp:2734,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/formats/smilesformat.cpp:2734,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/formats/smilesformat.cpp:2734,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/formats/smilesformat.cpp:2735,18'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:2735,87'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/smilesformat.cpp:2735,114'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/formats/smilesformat.cpp:2736,16'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/smilesformat.cpp:2736,75'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/smilesformat.cpp:2734,7'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/formats/smilesformat.cpp:2734,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/formats/smilesformat.cpp:2749,29'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/formats/smilesformat.cpp:2756,29'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/formats/smilesformat.cpp:2757,42'
          Dst:             _ZL13SmilesValencejjb
        - Src:             'src/formats/smilesformat.cpp:2761,62'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:2767,15'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/smilesformat.cpp:2768,37'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/smilesformat.cpp:2769,42'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/formats/smilesformat.cpp:2773,9'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi16GetSmilesValenceEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:2774,16'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi20GetTetrahedralStereoEPNS_12OBCanSmiNodeERNSt3__16vectorIPNS_6OBAtomENS3_9allocatorIS6_EEEERNS4_IjNS7_IjEEEE
        - Src:             'src/formats/smilesformat.cpp:2776,18'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi21GetSquarePlanarStereoEPNS_12OBCanSmiNodeERNSt3__16vectorIPNS_6OBAtomENS3_9allocatorIS6_EEEERNS4_IjNS7_IjEEEE
        - Src:             'src/formats/smilesformat.cpp:2785,58'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:2785,30'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/smilesformat.cpp:2786,42'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:2787,20'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/smilesformat.cpp:2787,53'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/smilesformat.cpp:2801,73'
          Dst:             _ZN9OpenBabel6OBAtom9GetParentEv
        - Src:             'src/formats/smilesformat.cpp:2801,87'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/smilesformat.cpp:2820,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:2820,55'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:2822,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:2822,54'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:2824,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:2826,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:2829,15'
          Dst:             snprintf
        - Src:             'src/formats/smilesformat.cpp:2844,32'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/smilesformat.cpp:2847,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/smilesformat.cpp:2850,38'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/smilesformat.cpp:2850,9'
          Dst:             snprintf
        - Src:             'src/formats/smilesformat.cpp:2854,16'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:2857,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:2860,35'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:2861,30'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/smilesformat.cpp:2864,11'
          Dst:             snprintf
        - Src:             'src/formats/smilesformat.cpp:2866,48'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:2877,56'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/formats/smilesformat.cpp:2889,11'
          Dst:             snprintf
        - Src:             'src/formats/smilesformat.cpp:2897,11'
          Dst:             snprintf
        - Src:             'src/formats/smilesformat.cpp:2904,24'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/smilesformat.cpp:2913,9'
          Dst:             snprintf
        - Src:             'src/formats/smilesformat.cpp:2920,35'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/smilesformat.cpp:2922,33'
          Dst:             __dynamic_cast
        - Src:             'src/formats/smilesformat.cpp:2928,13'
          Dst:             snprintf
    - functionName:    _ZN9OpenBabel12OBMol2Cansmi16HasStereoDblBondEPNS_6OBBondEPNS_6OBAtomE
      functionSourceFile: '/src/openbabel/src/formats/smilesformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 2534
      functionLinenumberEnd: 2564
      functionDepth:   0
      returnType:      bool
      argCount:        3
      argTypes:
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        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
      BBCount:         23
      ICount:          101
      EdgeCount:       31
      CyclomaticComplexity: 10
      functionsReached:
        - _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - _ZN9OpenBabel6OBAtom13HasDoubleBondEv
        - _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - _ZNK9OpenBabel6OBAtom5GetIdEv
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/smilesformat.cpp:2546,30'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:2549,15'
          Dst:             _ZN9OpenBabel6OBAtom13HasDoubleBondEv
        - Src:             'src/formats/smilesformat.cpp:2551,21'
          Dst:             _ZN9OpenBabel6OBAtom13HasDoubleBondEv
        - Src:             'src/formats/smilesformat.cpp:2555,56'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - Src:             'src/formats/smilesformat.cpp:2556,25'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/formats/smilesformat.cpp:2556,59'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/formats/smilesformat.cpp:2561,9'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/smilesformat.cpp:2561,9'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
    - functionName:    _ZN9OpenBabel12OBMol2Cansmi21GetCisTransBondSymbolEPNS_6OBBondEPNS_12OBCanSmiNodeE
      functionSourceFile: '/src/openbabel/src/formats/smilesformat.cpp'
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      functionLinenumber: 2567
      functionLinenumberEnd: 2699
      functionDepth:   0
      returnType:      char
      argCount:        3
      argTypes:
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        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
      BBCount:         167
      ICount:          817
      EdgeCount:       180
      CyclomaticComplexity: 15
      functionsReached:
        - _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
        - _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - _ZN9OpenBabel6OBAtom13HasDoubleBondEv
        - _ZN9OpenBabel6OBAtom9GetParentEv
        - _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - _ZNK9OpenBabel6OBAtom5GetIdEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
      functionUses:    3
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/smilesformat.cpp:2583,26'
          Dst:             _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
        - Src:             'src/formats/smilesformat.cpp:2584,30'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:2585,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetParentEv
        - Src:             'src/formats/smilesformat.cpp:2593,15'
          Dst:             _ZN9OpenBabel6OBAtom13HasDoubleBondEv
        - Src:             'src/formats/smilesformat.cpp:2595,21'
          Dst:             _ZN9OpenBabel6OBAtom13HasDoubleBondEv
        - Src:             'src/formats/smilesformat.cpp:2600,56'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - Src:             'src/formats/smilesformat.cpp:2601,21'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/formats/smilesformat.cpp:2601,51'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/formats/smilesformat.cpp:2606,9'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/smilesformat.cpp:2606,9'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/smilesformat.cpp:2616,19'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:2617,11'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:2617,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/smilesformat.cpp:2617,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/smilesformat.cpp:2618,23'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:2618,45'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:2624,23'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:2625,11'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:2625,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/smilesformat.cpp:2625,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/smilesformat.cpp:2626,23'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:2626,45'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
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        - Branch String:   'src/formats/smilesformat.cpp:1136,9'
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        - Branch String:   'src/formats/smilesformat.cpp:1170,9'
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        - Branch String:   'src/formats/smilesformat.cpp:1185,9'
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        - Branch String:   'src/formats/smilesformat.cpp:1219,9'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:1253,9'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:1281,9'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:1303,9'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:1319,9'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:1352,9'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:1370,9'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:1388,9'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:1406,9'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:1444,9'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:1468,9'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:1495,9'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:1528,9'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:1596,9'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:1665,9'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:1735,23'
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        - Branch String:   'src/formats/smilesformat.cpp:1749,15'
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          Dst:             _ZN9OpenBabel6OBAtom19SetSpinMultiplicityEs
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          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
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          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
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          Dst:             _ZN9OpenBabel14OBSmilesParser14StereoRingBondD2Ev
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          Dst:             _ZN9OpenBabel9MDLFormat13ReadUIntFieldEPKc
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        - Src:             'src/formats/mdlformat.cpp:596,13'
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          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
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          Dst:             _ZN9OpenBabel6OBAtom11SetAromaticEb
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          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:616,13'
          Dst:             _ZN9OpenBabel5OBMol20SetAromaticPerceivedEb
        - Src:             'src/formats/mdlformat.cpp:629,19'
          Dst:             _ZN9OpenBabel9MDLFormat13ReadUIntFieldEPKc
        - Src:             'src/formats/mdlformat.cpp:638,25'
          Dst:             _ZN9OpenBabel9MDLFormat13ReadUIntFieldEPKc
        - Src:             'src/formats/mdlformat.cpp:643,30'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/mdlformat.cpp:645,35'
          Dst:             _ZN9OpenBabel9AliasDataC2Ev
        - Src:             'src/formats/mdlformat.cpp:646,19'
          Dst:             _ZN9OpenBabel9AliasData8SetAliasERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mdlformat.cpp:647,19'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/mdlformat.cpp:648,19'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/mdlformat.cpp:654,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mdlformat.cpp:668,15'
          Dst:             _ZN9OpenBabel9MDLFormat13ReadUIntFieldEPKc
        - Src:             'src/formats/mdlformat.cpp:670,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:674,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:678,24'
          Dst:             _ZN9OpenBabel9MDLFormat13ReadUIntFieldEPKc
        - Src:             'src/formats/mdlformat.cpp:679,23'
          Dst:             _ZN9OpenBabel9MDLFormat13ReadUIntFieldEPKc
        - Src:             'src/formats/mdlformat.cpp:682,42'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEi
        - Src:             'src/formats/mdlformat.cpp:683,26'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:686,17'
          Dst:             _ZN9OpenBabel6OBBond12SetBondOrderEi
        - Src:             'src/formats/mdlformat.cpp:690,42'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/mdlformat.cpp:691,26'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:695,19'
          Dst:             _ZN9OpenBabel6OBAtom19SetSpinMultiplicityEs
        - Src:             'src/formats/mdlformat.cpp:699,19'
          Dst:             _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - Src:             'src/formats/mdlformat.cpp:703,21'
          Dst:             _ZN9OpenBabel6OBAtom10SetIsotopeEj
        - Src:             'src/formats/mdlformat.cpp:708,19'
          Dst:             _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - Src:             'src/formats/mdlformat.cpp:717,24'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEj
        - Src:             'src/formats/mdlformat.cpp:718,28'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:720,61'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEj
        - Src:             'src/formats/mdlformat.cpp:722,17'
          Dst:             snprintf
        - Src:             'src/formats/mdlformat.cpp:723,21'
          Dst:             _ZN9OpenBabel9AliasData8SetAliasEPKc
        - Src:             'src/formats/mdlformat.cpp:733,9'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:733,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mdlformat.cpp:733,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mdlformat.cpp:734,48'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/formats/mdlformat.cpp:736,56'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mdlformat.cpp:736,33'
          Dst:             _ZN9OpenBabel10OBElements7GetMassEj
        - Src:             'src/formats/mdlformat.cpp:736,16'
          Dst:             _ZN9OpenBabel6OBAtom10SetIsotopeEj
        - Src:             'src/formats/mdlformat.cpp:741,9'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:741,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mdlformat.cpp:741,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mdlformat.cpp:742,34'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/formats/mdlformat.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - Src:             'src/formats/mdlformat.cpp:756,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:756,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mdlformat.cpp:756,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mdlformat.cpp:772,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:758,33'
          Dst:             _ZNK9OpenBabel6OBBond8GetFlagsEv
        - Src:             'src/formats/mdlformat.cpp:765,46'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/mdlformat.cpp:772,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mdlformat.cpp:772,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mdlformat.cpp:773,33'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mdlformat.cpp:774,26'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:778,33'
          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/mdlformat.cpp:779,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/mdlformat.cpp:778,66'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/mdlformat.cpp:784,56'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:786,33'
          Dst:             _ZL10HYDValencejij
        - Src:             'src/formats/mdlformat.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom17SetImplicitHCountEj
        - Src:             'src/formats/mdlformat.cpp:806,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:810,20'
          Dst:             _ZL10MDLValencejij
        - Src:             'src/formats/mdlformat.cpp:812,28'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/mdlformat.cpp:827,15'
          Dst:             _ZN9OpenBabel6OBAtom17SetImplicitHCountEj
        - Src:             'src/formats/mdlformat.cpp:839,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:840,11'
          Dst:             _ZN9OpenBabel9AliasData6ExpandERNS_5OBMolEj
        - Src:             'src/formats/mdlformat.cpp:844,31'
          Dst:             _ZN9OpenBabel13OBCommentDataC2Ev
        - Src:             'src/formats/mdlformat.cpp:845,11'
          Dst:             _ZN9OpenBabel13OBCommentData7SetDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mdlformat.cpp:846,11'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/mdlformat.cpp:847,11'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/mdlformat.cpp:851,9'
          Dst:             _ZN9OpenBabel9MDLFormat17ReadPropertyLinesERNSt3__113basic_istreamIcNS1_11char_traitsIcEEEERNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:853,14'
          Dst:             _ZN9OpenBabel12OBConversion9AddOptionEPKcNS0_11Option_typeES2_
        - Src:             'src/formats/mdlformat.cpp:857,13'
          Dst:             _ZN9OpenBabel5OBMol5Has3DEv
        - Src:             'src/formats/mdlformat.cpp:859,13'
          Dst:             _ZN9OpenBabel5OBMol12SetDimensionEt
        - Src:             'src/formats/mdlformat.cpp:861,7'
          Dst:             _ZN9OpenBabel12StereoFrom3DEPNS_5OBMolEb
        - Src:             'src/formats/mdlformat.cpp:862,33'
          Dst:             _ZN9OpenBabel14OBStereoFacadeC2EPNS_5OBMolEb
        - Src:             'src/formats/mdlformat.cpp:864,18'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:865,9'
          Dst:             _ZN9OpenBabel9MDLFormat19TetStereoFromParityERNS_5OBMolERNSt3__16vectorINS0_6ParityENS3_9allocatorIS5_EEEEb
        - Src:             'src/formats/mdlformat.cpp:871,38'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/mdlformat.cpp:871,52'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/formats/mdlformat.cpp:872,44'
          Dst:             _ZN9OpenBabel14OBStereoFacade20GetTetrahedralStereoEm
        - Src:             'src/formats/mdlformat.cpp:875,52'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/formats/mdlformat.cpp:877,15'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo9SetConfigERKNS0_6ConfigE
        - Src:             'src/formats/mdlformat.cpp:878,9'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:878,9'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:886,19'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/mdlformat.cpp:888,63'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/formats/mdlformat.cpp:888,39'
          Dst:             _ZN9OpenBabel14OBStereoFacade17GetCisTransStereoEm
        - Src:             'src/formats/mdlformat.cpp:890,49'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - Src:             'src/formats/mdlformat.cpp:892,15'
          Dst:             _ZN9OpenBabel16OBCisTransStereo9SetConfigERKNS0_6ConfigE
        - Src:             'src/formats/mdlformat.cpp:893,9'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:893,9'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:895,5'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
        - Src:             'src/formats/mdlformat.cpp:895,5'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
        - Src:             'src/formats/mdlformat.cpp:896,13'
          Dst:             _ZN9OpenBabel5OBMol5Has2DEb
        - Src:             'src/formats/mdlformat.cpp:898,13'
          Dst:             _ZN9OpenBabel5OBMol12SetDimensionEt
        - Src:             'src/formats/mdlformat.cpp:900,7'
          Dst:             _ZN9OpenBabel12StereoFrom2DEPNS_5OBMolEPNSt3__13mapIPNS_6OBBondENS_8OBStereo13BondDirectionENS2_4lessIS5_EENS2_9allocatorINS2_4pairIKS5_S7_EEEEEEb
        - Src:             'src/formats/mdlformat.cpp:901,18'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:902,9'
          Dst:             _ZN9OpenBabel9MDLFormat19TetStereoFromParityERNS_5OBMolERNSt3__16vectorINS0_6ParityENS3_9allocatorIS5_EEEEb
        - Src:             'src/formats/mdlformat.cpp:906,13'
          Dst:             _ZN9OpenBabel5OBMol12SetDimensionEt
        - Src:             'src/formats/mdlformat.cpp:909,18'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:909,67'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:910,9'
          Dst:             _ZN9OpenBabel9MDLFormat19TetStereoFromParityERNS_5OBMolERNSt3__16vectorINS0_6ParityENS3_9allocatorIS5_EEEEb
        - Src:             'src/formats/mdlformat.cpp:911,7'
          Dst:             _ZN9OpenBabel12StereoFrom0DEPNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:912,18'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:913,9'
          Dst:             _ZN9OpenBabel9MDLFormat18CisTransFromUpDownEPNS_5OBMolEPNSt3__13mapIPNS_6OBBondENS_8OBStereo13BondDirectionENS3_4lessIS6_EENS3_9allocatorINS3_4pairIKS6_S8_EEEEEE
    - functionName:    _ZN9OpenBabel9MDLFormat13WriteMoleculeEPNS_6OBBaseEPNS_12OBConversionE
      functionSourceFile: '/src/openbabel/src/formats/mdlformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1045
      functionLinenumberEnd: 1418
      functionDepth:   0
      returnType:      bool
      argCount:        3
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         739
      ICount:          3460
      EdgeCount:       1316
      CyclomaticComplexity: 579
      functionsReached:
        - _ZL10HYDValencejij
        - _ZL10MDLValencejij
        - _ZN9OpenBabel12OBConversion6IsLastEv
        - _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - _ZN9OpenBabel14PerceiveStereoEPNS_5OBMolEb
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel20TetStereoToWedgeHashERNS_5OBMolERNSt3__13mapIPNS_6OBBondENS_8OBStereo13BondDirectionENS2_4lessIS5_EENS2_9allocatorINS2_4pairIKS5_S7_EEEEEERNS3_IS5_mS9_NSA_INSB_ISC_mEEEEEE
        - _ZN9OpenBabel22GetUnspecifiedCisTransERNS_5OBMolE
        - _ZN9OpenBabel5OBMol16ConvertZeroBondsEv
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMolC2ERKS0_
        - _ZN9OpenBabel5OBMolD2Ev
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBase7GetDataEPKc
        - _ZN9OpenBabel6OBBase7GetDataEj
        - _ZN9OpenBabel6OBBase7GetDataEv
        - _ZN9OpenBabel6OBBase7HasDataEj
        - _ZN9OpenBabel6OBBond6IsHashEv
        - _ZN9OpenBabel6OBBond7IsWedgeEv
        - _ZN9OpenBabel9AliasData17RevertToAliasFormERNS_5OBMolE
        - _ZN9OpenBabel9MDLFormat10WriteV3000ERNSt3__113basic_ostreamIcNS1_11char_traitsIcEEEERNS_5OBMolEPNS_12OBConversionE
        - _ZN9OpenBabel9MDLFormat11GetTimeDateEv
        - _ZN9OpenBabel9MDLFormat9GetParityERNS_5OBMolERNSt3__13mapIPNS_6OBAtomENS0_6ParityENS3_4lessIS6_EENS3_9allocatorINS3_4pairIKS6_S7_EEEEEE
        - _ZN9OpenBabel9MDLFormat9GetUpDownERNS_5OBMolERNSt3__13mapIPNS_6OBBondENS_8OBStereo13BondDirectionENS3_4lessIS6_EENS3_9allocatorINS3_4pairIKS6_S8_EEEEEERNS3_3setIS6_SA_NSB_IS6_EEEE
        - _ZN9OpenBabelL10AtomSymbolEPNS_5OBMolEPNS_6OBAtomE
        - _ZN9OpenBabelL17GetNumberedRGroupEPNS_5OBMolEPNS_6OBAtomE
        - _ZN9OpenBabelL22GenerateAsciiDepictionEPNS_5OBMolE
        - _ZN9OpenBabelL28GetChiralFlagFromGenericDataERNS_5OBMolE
        - _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - _ZNK9OpenBabel12OBConversion14GetOutputIndexEv
        - _ZNK9OpenBabel13OBCommentData7GetDataEv
        - _ZNK9OpenBabel13OBGenericData11GetDataTypeEv
        - _ZNK9OpenBabel5OBMol12GetDimensionEv
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol7GetBondEi
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel5OBMol8NumBondsEv
        - _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - _ZNK9OpenBabel6OBAtom21ExplicitHydrogenCountEb
        - _ZNK9OpenBabel6OBAtom4GetXEv
        - _ZNK9OpenBabel6OBAtom4GetYEv
        - _ZNK9OpenBabel6OBAtom4GetZEv
        - _ZNK9OpenBabel6OBAtom5GetIdEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel6OBBond13IsWedgeOrHashEv
        - _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - _ZNK9OpenBabel6OBBond6GetIdxEv
        - _ZNK9OpenBabel9AliasData10IsExpandedEv
        - _ZNK9OpenBabel9AliasData8GetAliasEb
        - __dynamic_cast
        - snprintf
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/mdlformat.cpp:1046,19'
          Dst:             __dynamic_cast
        - Src:             'src/formats/mdlformat.cpp:1049,28'
          Dst:             _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - Src:             'src/formats/mdlformat.cpp:1053,13'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/formats/mdlformat.cpp:1055,18'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1056,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:1059,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:1063,40'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1064,34'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1071,21'
          Dst:             _ZN9OpenBabel5OBMolC2ERKS0_
        - Src:             'src/formats/mdlformat.cpp:1072,25'
          Dst:             _ZN9OpenBabel5OBMol16ConvertZeroBondsEv
        - Src:             'src/formats/mdlformat.cpp:1074,5'
          Dst:             _ZN9OpenBabel14PerceiveStereoEPNS_5OBMolEb
        - Src:             'src/formats/mdlformat.cpp:1076,16'
          Dst:             _ZNK9OpenBabel12OBConversion14GetOutputIndexEv
        - Src:             'src/formats/mdlformat.cpp:1084,12'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/formats/mdlformat.cpp:1087,15'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1088,7'
          Dst:             _ZN9OpenBabel9AliasData17RevertToAliasFormERNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:1094,28'
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        - Src:             'src/formats/mdlformat.cpp:1097,13'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEj
        - Src:             'src/formats/mdlformat.cpp:1098,47'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEj
        - Src:             'src/formats/mdlformat.cpp:1099,28'
          Dst:             _ZNK9OpenBabel13OBCommentData7GetDataEv
        - Src:             'src/formats/mdlformat.cpp:1110,15'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1110,36'
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        - Src:             'src/formats/mdlformat.cpp:1110,60'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/formats/mdlformat.cpp:1111,12'
          Dst:             _ZN9OpenBabel9MDLFormat10WriteV3000ERNSt3__113basic_ostreamIcNS1_11char_traitsIcEEEERNS_5OBMolEPNS_12OBConversionE
        - Src:             'src/formats/mdlformat.cpp:1117,15'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mdlformat.cpp:1117,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/formats/mdlformat.cpp:1121,48'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mdlformat.cpp:1122,35'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/formats/mdlformat.cpp:1123,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:1128,38'
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        - Src:             'src/formats/mdlformat.cpp:1137,7'
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        - Src:             'src/formats/mdlformat.cpp:1138,15'
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        - Src:             'src/formats/mdlformat.cpp:1138,43'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/formats/mdlformat.cpp:1138,72'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1139,9'
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        - Src:             'src/formats/mdlformat.cpp:1143,15'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/formats/mdlformat.cpp:1143,46'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1144,9'
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        - Src:             'src/formats/mdlformat.cpp:1157,25'
          Dst:             _ZN9OpenBabelL28GetChiralFlagFromGenericDataERNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:1160,20'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mdlformat.cpp:1160,36'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/formats/mdlformat.cpp:1159,7'
          Dst:             snprintf
        - Src:             'src/formats/mdlformat.cpp:1167,23'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mdlformat.cpp:1169,23'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1183,28'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/formats/mdlformat.cpp:1184,39'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mdlformat.cpp:1184,61'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1185,44'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/formats/mdlformat.cpp:1187,26'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/mdlformat.cpp:1184,22'
          Dst:             _ZL10MDLValencejij
        - Src:             'src/formats/mdlformat.cpp:1195,39'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/mdlformat.cpp:1197,37'
          Dst:             __dynamic_cast
        - Src:             'src/formats/mdlformat.cpp:1208,17'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/mdlformat.cpp:1208,31'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/mdlformat.cpp:1208,45'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/mdlformat.cpp:1209,11'
          Dst:             _ZN9OpenBabelL10AtomSymbolEPNS_5OBMolEPNS_6OBAtomE
        - Src:             'src/formats/mdlformat.cpp:1207,9'
          Dst:             snprintf
        - Src:             'src/formats/mdlformat.cpp:1167,54'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mdlformat.cpp:1219,23'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mdlformat.cpp:1220,26'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/mdlformat.cpp:1227,47'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1227,63'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/formats/mdlformat.cpp:1228,67'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/formats/mdlformat.cpp:1230,20'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/formats/mdlformat.cpp:1230,50'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1231,27'
          Dst:             _ZN9OpenBabel6OBBond7IsWedgeEv
        - Src:             'src/formats/mdlformat.cpp:1233,32'
          Dst:             _ZN9OpenBabel6OBBond6IsHashEv
        - Src:             'src/formats/mdlformat.cpp:1235,32'
          Dst:             _ZNK9OpenBabel6OBBond13IsWedgeOrHashEv
        - Src:             'src/formats/mdlformat.cpp:1246,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1247,36'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1248,37'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/mdlformat.cpp:1255,58'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1255,44'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEi
        - Src:             'src/formats/mdlformat.cpp:1256,31'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/mdlformat.cpp:1220,58'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/mdlformat.cpp:1219,52'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mdlformat.cpp:1269,23'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mdlformat.cpp:1270,18'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/mdlformat.cpp:1270,51'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/mdlformat.cpp:1272,18'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/mdlformat.cpp:1274,18'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1277,50'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1277,36'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/mdlformat.cpp:1279,32'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1280,37'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1280,64'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1281,48'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1281,68'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1283,30'
          Dst:             _ZNK9OpenBabel6OBAtom21ExplicitHydrogenCountEb
        - Src:             'src/formats/mdlformat.cpp:1283,62'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/formats/mdlformat.cpp:1284,49'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mdlformat.cpp:1284,75'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1284,104'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/formats/mdlformat.cpp:1284,28'
          Dst:             _ZL10HYDValencejij
        - Src:             'src/formats/mdlformat.cpp:1285,42'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/formats/mdlformat.cpp:1285,71'
          Dst:             _ZNK9OpenBabel6OBAtom21ExplicitHydrogenCountEb
        - Src:             'src/formats/mdlformat.cpp:1287,48'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1287,64'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/formats/mdlformat.cpp:1292,25'
          Dst:             _ZN9OpenBabelL17GetNumberedRGroupEPNS_5OBMolEPNS_6OBAtomE
        - Src:             'src/formats/mdlformat.cpp:1294,21'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEj
        - Src:             'src/formats/mdlformat.cpp:1295,59'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEj
        - Src:             'src/formats/mdlformat.cpp:1296,21'
          Dst:             _ZNK9OpenBabel9AliasData10IsExpandedEv
        - Src:             'src/formats/mdlformat.cpp:1297,57'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1297,81'
          Dst:             _ZNK9OpenBabel9AliasData8GetAliasEb
        - Src:             'src/formats/mdlformat.cpp:1301,53'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1269,52'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mdlformat.cpp:1312,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1312,68'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/mdlformat.cpp:1312,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1312,68'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/mdlformat.cpp:1323,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1323,68'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/mdlformat.cpp:1323,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1323,68'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/mdlformat.cpp:1334,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1334,68'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1334,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1334,68'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1386,15'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1386,41'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1388,18'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1389,9'
          Dst:             _ZN9OpenBabelL22GenerateAsciiDepictionEPNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:1392,42'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEv
        - Src:             'src/formats/mdlformat.cpp:1395,19'
          Dst:             _ZNK9OpenBabel13OBGenericData11GetDataTypeEv
        - Src:             'src/formats/mdlformat.cpp:1413,16'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
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        - Src:             'src/formats/mdlformat.cpp:1414,56'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1418,3'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
        - Src:             'src/formats/mdlformat.cpp:1418,3'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
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      Callsites:
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          Dst:             _ZN9OpenBabel5OBMol16ClassDescriptionEv
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      linkageType:     InternalLinkage
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      functionLinenumberEnd: 118
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      functionUses:    0
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZNK9OpenBabel12OBConversion11GetInStreamEv
        - Src:             'src/formats/mdlformat.cpp:127,10'
          Dst:             _ZN9OpenBabel6ignoreERNSt3__113basic_istreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEE
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      functionLinenumberEnd: 1734
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          Dst:             time
        - Src:             'src/formats/mdlformat.cpp:1729,10'
          Dst:             localtime
        - Src:             'src/formats/mdlformat.cpp:1730,5'
          Dst:             snprintf
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      ICount:          241
      EdgeCount:       61
      CyclomaticComplexity: 17
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        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond6IsHashEv
        - _ZN9OpenBabel6OBBond7IsWedgeEv
        - _ZN9OpenBabelL28GetChiralFlagFromGenericDataERNS_5OBMolE
        - _ZNK9OpenBabel5OBMol12GetDimensionEv
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel5OBMol8NumBondsEv
        - _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - _ZNK9OpenBabel6OBAtom4GetXEv
        - _ZNK9OpenBabel6OBAtom4GetYEv
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        - _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
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        - Src:             'src/formats/mdlformat.cpp:1658,61'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/formats/mdlformat.cpp:1667,33'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/formats/mdlformat.cpp:1669,21'
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        - Src:             'src/formats/mdlformat.cpp:1673,38'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/mdlformat.cpp:1673,52'
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          Dst:             snprintf
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mdlformat.cpp:1676,20'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/mdlformat.cpp:1679,18'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1680,35'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1681,18'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/mdlformat.cpp:1682,35'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/mdlformat.cpp:1683,18'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/mdlformat.cpp:1684,36'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/mdlformat.cpp:1669,50'
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        - Src:             'src/formats/mdlformat.cpp:1697,26'
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1699,39'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1704,30'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/mdlformat.cpp:1705,30'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/formats/mdlformat.cpp:1706,30'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/formats/mdlformat.cpp:1709,26'
          Dst:             _ZN9OpenBabel6OBBond7IsWedgeEv
        - Src:             'src/formats/mdlformat.cpp:1710,26'
          Dst:             _ZN9OpenBabel6OBBond6IsHashEv
        - Src:             'src/formats/mdlformat.cpp:1711,26'
          Dst:             _ZNK9OpenBabel6OBBond13IsWedgeOrHashEv
        - Src:             'src/formats/mdlformat.cpp:1711,26'
          Dst:             _ZNK9OpenBabel6OBBond13IsWedgeOrHashEv
        - Src:             'src/formats/mdlformat.cpp:1697,58'
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        - Src:             'src/formats/mdlformat.cpp:1695,50'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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      ICount:          308
      EdgeCount:       66
      CyclomaticComplexity: 3
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        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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      BranchProfiles:  []
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        - Src:             'src/formats/mdlformat.cpp:1842,79'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mdlformat.cpp:1846,61'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/formats/mdlformat.cpp:1846,83'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mdlformat.cpp:1853,21'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigEmNS_8OBStereo7WindingENS1_4ViewE
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:1854,28'
          Dst:             _ZN9OpenBabel8OBStereo13NumInversionsERKNSt3__16vectorImNS1_9allocatorImEEEE
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        - Src:             'src/formats/mdlformat.cpp:1863,7'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:1863,7'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
    - functionName:    _ZN9OpenBabel9MDLFormat9GetUpDownERNS_5OBMolERNSt3__13mapIPNS_6OBBondENS_8OBStereo13BondDirectionENS3_4lessIS6_EENS3_9allocatorINS3_4pairIKS6_S8_EEEEEERNS3_3setIS6_SA_NSB_IS6_EEEE
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      ICount:          874
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      functionsReached:
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        - _ZN9OpenBabel14OBStereoFacade17HasCisTransStereoEm
        - _ZN9OpenBabel14OBStereoFacadeC2EPNS_5OBMolEb
        - _ZN9OpenBabel14OBStereoFacadeD2Ev
        - _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - _ZN9OpenBabel16OBMolBondBFSIterC2ERNS_5OBMolEi
        - _ZN9OpenBabel16OBMolBondBFSIterD2Ev
        - _ZN9OpenBabel16OBMolBondBFSIterppEv
        - _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - _ZNK9OpenBabel16OBMolBondBFSItercvbEv
        - _ZNK9OpenBabel16OBMolBondBFSIterptEv
        - _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel6OBBond5GetIdEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel14OBStereoFacadeC2EPNS_5OBMolEb
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          Dst:             _ZN9OpenBabel16OBMolBondBFSIterC2ERNS_5OBMolEi
        - Src:             'src/formats/mdlformat.cpp:1742,5'
          Dst:             _ZNK9OpenBabel16OBMolBondBFSItercvbEv
        - Src:             'src/formats/mdlformat.cpp:1742,5'
          Dst:             _ZN9OpenBabel16OBMolBondBFSIterD2Ev
        - Src:             'src/formats/mdlformat.cpp:1744,11'
          Dst:             _ZNK9OpenBabel16OBMolBondBFSIterptEv
        - Src:             'src/formats/mdlformat.cpp:1744,14'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/mdlformat.cpp:1744,63'
          Dst:             _ZNK9OpenBabel16OBMolBondBFSIterptEv
        - Src:             'src/formats/mdlformat.cpp:1744,66'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/formats/mdlformat.cpp:1744,45'
          Dst:             _ZN9OpenBabel14OBStereoFacade17HasCisTransStereoEm
        - Src:             'src/formats/mdlformat.cpp:1745,55'
          Dst:             _ZNK9OpenBabel16OBMolBondBFSIterptEv
        - Src:             'src/formats/mdlformat.cpp:1745,58'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/formats/mdlformat.cpp:1745,37'
          Dst:             _ZN9OpenBabel14OBStereoFacade17GetCisTransStereoEm
        - Src:             'src/formats/mdlformat.cpp:1746,42'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - Src:             'src/formats/mdlformat.cpp:1747,15'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - Src:             'src/formats/mdlformat.cpp:1747,11'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:1749,5'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:1742,5'
          Dst:             _ZN9OpenBabel16OBMolBondBFSIterppEv
        - Src:             'src/formats/mdlformat.cpp:1749,5'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:1742,5'
          Dst:             _ZN9OpenBabel16OBMolBondBFSIterD2Ev
        - Src:             'src/formats/mdlformat.cpp:1771,44'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - Src:             'src/formats/mdlformat.cpp:1776,41'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/formats/mdlformat.cpp:1776,71'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/formats/mdlformat.cpp:1776,29'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/formats/mdlformat.cpp:1778,41'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/formats/mdlformat.cpp:1778,71'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/formats/mdlformat.cpp:1778,29'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/formats/mdlformat.cpp:1781,41'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/formats/mdlformat.cpp:1781,71'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/formats/mdlformat.cpp:1781,29'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/formats/mdlformat.cpp:1783,41'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/formats/mdlformat.cpp:1783,71'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/formats/mdlformat.cpp:1783,29'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/formats/mdlformat.cpp:1797,44'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/formats/mdlformat.cpp:1797,72'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/formats/mdlformat.cpp:1797,32'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/formats/mdlformat.cpp:1809,61'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - Src:             'src/formats/mdlformat.cpp:1816,9'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:1816,9'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:1818,7'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:1818,7'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:1821,3'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
        - Src:             'src/formats/mdlformat.cpp:1821,3'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
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      functionLinenumberEnd: 1041
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      constantsTouched: []
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      ICount:          105
      EdgeCount:       44
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/mdlformat.cpp:1014,19'
          Dst:             atoi
        - Src:             'src/formats/mdlformat.cpp:1024,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:1028,12'
          Dst:             _ZN9OpenBabelL11OldIsChiralERNS_5OBMolE
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      functionLinenumberEnd: 400
      functionDepth:   0
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      argTypes:
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      constantsTouched: []
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      BBCount:         701
      ICount:          2532
      EdgeCount:       924
      CyclomaticComplexity: 225
      functionsReached: []
      functionUses:    2
      BranchProfiles:
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          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:40,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:47,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:60,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:73,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:86,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:99,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:112,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:130,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:148,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:166,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:184,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:202,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:219,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:236,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:253,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:270,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:287,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:306,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:325,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:344,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:363,5'
          Branch Sides:    []
        - Branch String:   'src/formats/mdlvalence.h:381,5'
          Branch Sides:    []
      Callsites:       []
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        - Src:             'src/formats/mol2format.cpp:403,19'
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        - Src:             'src/formats/mol2format.cpp:417,26'
          Dst:             _ZN9OpenBabel9OBResidue6SetNumEj
        - Src:             'src/formats/mol2format.cpp:420,47'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mol2format.cpp:420,35'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/mol2format.cpp:421,18'
          Dst:             _ZN9OpenBabel9OBResidue7AddAtomEPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:422,18'
          Dst:             _ZN9OpenBabel9OBResidue9SetAtomIDEPNS_6OBAtomERKNSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEE
        - Src:             'src/formats/mol2format.cpp:427,20'
          Dst:             _ZN9OpenBabelL14read_until_rtiERNSt3__113basic_istreamIcNS0_11char_traitsIcEEEE
        - Src:             'src/formats/mol2format.cpp:439,15'
          Dst:             __isoc99_sscanf
        - Src:             'src/formats/mol2format.cpp:445,16'
          Dst:             strncmp
        - Src:             'src/formats/mol2format.cpp:448,15'
          Dst:             __isoc99_sscanf
        - Src:             'src/formats/mol2format.cpp:449,46'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mol2format.cpp:451,36'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/mol2format.cpp:453,25'
          Dst:             _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - Src:             'src/formats/mol2format.cpp:461,17'
          Dst:             _ZN9OpenBabelL14read_until_rtiERNSt3__113basic_istreamIcNS0_11char_traitsIcEEEE
        - Src:             'src/formats/mol2format.cpp:475,13'
          Dst:             __isoc99_sscanf
        - Src:             'src/formats/mol2format.cpp:477,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mol2format.cpp:493,19'
          Dst:             atoi
        - Src:             'src/formats/mol2format.cpp:495,13'
          Dst:             _ZN9OpenBabel5OBMol7AddBondEiiiii
        - Src:             'src/formats/mol2format.cpp:507,9'
          Dst:             _ZN9OpenBabel5OBMol20SetAromaticPerceivedEb
        - Src:             'src/formats/mol2format.cpp:510,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/mol2format.cpp:510,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mol2format.cpp:510,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mol2format.cpp:511,44'
          Dst:             _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - Src:             'src/formats/mol2format.cpp:512,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mol2format.cpp:515,28'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/formats/mol2format.cpp:515,15'
          Dst:             strcmp
        - Src:             'src/formats/mol2format.cpp:517,28'
          Dst:             _ZN9OpenBabel14OBAtomBondIterC2EPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:518,18'
          Dst:             _ZNK9OpenBabel14OBAtomBondIterptEv
        - Src:             'src/formats/mol2format.cpp:518,23'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/mol2format.cpp:518,39'
          Dst:             _ZNK9OpenBabel14OBAtomBondIterptEv
        - Src:             'src/formats/mol2format.cpp:518,44'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/mol2format.cpp:519,21'
          Dst:             _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - Src:             'src/formats/mol2format.cpp:520,11'
          Dst:             _ZN9OpenBabel14OBAtomBondIterD2Ev
        - Src:             'src/formats/mol2format.cpp:520,11'
          Dst:             _ZN9OpenBabel14OBAtomBondIterD2Ev
        - Src:             'src/formats/mol2format.cpp:524,19'
          Dst:             _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - Src:             'src/formats/mol2format.cpp:535,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/mol2format.cpp:535,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mol2format.cpp:535,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mol2format.cpp:569,7'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/formats/mol2format.cpp:538,14'
          Dst:             _ZN9OpenBabelL16IsOxygenOrSulfurEPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:538,66'
          Dst:             _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - Src:             'src/formats/mol2format.cpp:539,24'
          Dst:             _ZN9OpenBabel14OBAtomBondIterC2EPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:540,26'
          Dst:             _ZNK9OpenBabel14OBAtomBondIterdeEv
        - Src:             'src/formats/mol2format.cpp:541,21'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/mol2format.cpp:543,33'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:544,21'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mol2format.cpp:548,9'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:548,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mol2format.cpp:548,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mol2format.cpp:549,41'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/mol2format.cpp:550,31'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:551,15'
          Dst:             _ZN9OpenBabelL16IsOxygenOrSulfurEPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:551,45'
          Dst:             _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - Src:             'src/formats/mol2format.cpp:557,33'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mol2format.cpp:560,16'
          Dst:             _ZN9OpenBabel6OBBond11SetAromaticEb
        - Src:             'src/formats/mol2format.cpp:561,25'
          Dst:             _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - Src:             'src/formats/mol2format.cpp:563,16'
          Dst:             _ZN9OpenBabel6OBBond11SetAromaticEb
        - Src:             'src/formats/mol2format.cpp:564,16'
          Dst:             _ZN9OpenBabel6OBBond12SetBondOrderEi
        - Src:             'src/formats/mol2format.cpp:565,7'
          Dst:             _ZN9OpenBabel14OBAtomBondIterD2Ev
        - Src:             'src/formats/mol2format.cpp:565,7'
          Dst:             _ZN9OpenBabel14OBAtomBondIterD2Ev
        - Src:             'src/formats/mol2format.cpp:569,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mol2format.cpp:569,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mol2format.cpp:575,17'
          Dst:             _ZN9OpenBabel10OBKekulizeEPNS_5OBMolE
        - Src:             'src/formats/mol2format.cpp:570,19'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/mol2format.cpp:571,17'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/formats/mol2format.cpp:571,33'
          Dst:             _ZN9OpenBabel6OBAtom11SetAromaticEb
        - Src:             'src/formats/mol2format.cpp:572,17'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/formats/mol2format.cpp:572,31'
          Dst:             _ZN9OpenBabel6OBAtom11SetAromaticEb
        - Src:             'src/formats/mol2format.cpp:583,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mol2format.cpp:592,9'
          Dst:             _ZN9OpenBabel5OBMol21SetAtomTypesPerceivedEb
        - Src:             'src/formats/mol2format.cpp:595,11'
          Dst:             _ZN9OpenBabel5OBMol18SetChainsPerceivedEb
        - Src:             'src/formats/mol2format.cpp:600,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/mol2format.cpp:600,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mol2format.cpp:600,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mol2format.cpp:601,20'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/formats/mol2format.cpp:602,11'
          Dst:             _ZN9OpenBabel36OBAtomAssignTypicalImplicitHydrogensEPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:609,33'
          Dst:             _ZN9OpenBabel13OBCommentDataC2Ev
        - Src:             'src/formats/mol2format.cpp:610,13'
          Dst:             _ZN9OpenBabel13OBCommentData7SetDataEPKc
        - Src:             'src/formats/mol2format.cpp:611,13'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/mol2format.cpp:612,13'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/mol2format.cpp:617,11'
          Dst:             _ZN9OpenBabel5OBMol26SetPartialChargesPerceivedEb
        - Src:             'src/formats/mol2format.cpp:635,3'
          Dst:             _ZN9OpenBabel6OBAtomD2Ev
        - Src:             'src/formats/mol2format.cpp:635,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/mol2format.cpp:635,3'
          Dst:             _ZN9OpenBabel6OBAtomD2Ev
        - Src:             'src/formats/mol2format.cpp:635,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel10MOL2Format13WriteMoleculeEPNS_6OBBaseEPNS_12OBConversionE
      functionSourceFile: '/src/openbabel/src/formats/mol2format.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 640
      functionLinenumberEnd: 805
      functionDepth:   0
      returnType:      bool
      argCount:        3
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         177
      ICount:          781
      EdgeCount:       303
      CyclomaticComplexity: 128
      functionsReached:
        - _ZN9OpenBabel10OBElements9GetSymbolEj
        - _ZN9OpenBabel11OBTypeTable11SetFromTypeEPKc
        - _ZN9OpenBabel11OBTypeTable9SetToTypeEPKc
        - _ZN9OpenBabel11OBTypeTable9TranslateERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERKS7_
        - _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom10GetResidueEv
        - _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZN9OpenBabel6OBBase7GetDataEPKc
        - _ZN9OpenBabel6OBBase7GetDataEj
        - _ZN9OpenBabel6OBBase7GetDataEv
        - _ZN9OpenBabel6OBBase7HasDataEj
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZN9OpenBabel6OBBond7IsAmideEv
        - _ZN9OpenBabel9OBResidue6GetNumEv
        - _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - _ZNK9OpenBabel13OBCommentData7GetDataEv
        - _ZNK9OpenBabel13OBGenericData11GetDataTypeEv
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel5OBMol8NumBondsEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - _ZNK9OpenBabel6OBAtom4GetXEv
        - _ZNK9OpenBabel6OBAtom4GetYEv
        - _ZNK9OpenBabel6OBAtom4GetZEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - _ZNK9OpenBabel6OBBond6GetIdxEv
        - _ZNK9OpenBabel9OBResidue7GetNameEv
        - _ZNK9OpenBabel9OBResidue9GetAtomIDEPNS_6OBAtomE
        - __dynamic_cast
        - snprintf
        - strcasecmp
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/mol2format.cpp:641,19'
          Dst:             __dynamic_cast
        - Src:             'src/formats/mol2format.cpp:646,28'
          Dst:             _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - Src:             'src/formats/mol2format.cpp:648,31'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mol2format.cpp:649,36'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mol2format.cpp:657,16'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mol2format.cpp:659,44'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEv
        - Src:             'src/formats/mol2format.cpp:662,23'
          Dst:             _ZNK9OpenBabel13OBGenericData11GetDataTypeEv
        - Src:             'src/formats/mol2format.cpp:679,52'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mol2format.cpp:679,67'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/formats/mol2format.cpp:679,5'
          Dst:             snprintf
        - Src:             'src/formats/mol2format.cpp:683,39'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/mol2format.cpp:689,11'
          Dst:             strcasecmp
        - Src:             'src/formats/mol2format.cpp:691,16'
          Dst:             strcasecmp
        - Src:             'src/formats/mol2format.cpp:693,16'
          Dst:             strcasecmp
        - Src:             'src/formats/mol2format.cpp:695,16'
          Dst:             strcasecmp
        - Src:             'src/formats/mol2format.cpp:706,13'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEj
        - Src:             'src/formats/mol2format.cpp:709,49'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEj
        - Src:             'src/formats/mol2format.cpp:710,20'
          Dst:             _ZNK9OpenBabel13OBCommentData7GetDataEv
        - Src:             'src/formats/mol2format.cpp:722,10'
          Dst:             _ZN9OpenBabel11OBTypeTable11SetFromTypeEPKc
        - Src:             'src/formats/mol2format.cpp:723,10'
          Dst:             _ZN9OpenBabel11OBTypeTable9SetToTypeEPKc
        - Src:             'src/formats/mol2format.cpp:726,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mol2format.cpp:734,46'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mol2format.cpp:734,18'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/mol2format.cpp:735,37'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mol2format.cpp:733,9'
          Dst:             snprintf
        - Src:             'src/formats/mol2format.cpp:739,21'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/formats/mol2format.cpp:740,14'
          Dst:             _ZN9OpenBabel11OBTypeTable9TranslateERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERKS7_
        - Src:             'src/formats/mol2format.cpp:742,19'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mol2format.cpp:747,42'
          Dst:             _ZN9OpenBabel6OBAtom10GetResidueEv
        - Src:             'src/formats/mol2format.cpp:750,55'
          Dst:             _ZNK9OpenBabel9OBResidue9GetAtomIDEPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:750,13'
          Dst:             snprintf
        - Src:             'src/formats/mol2format.cpp:752,51'
          Dst:             _ZNK9OpenBabel9OBResidue7GetNameEv
        - Src:             'src/formats/mol2format.cpp:752,75'
          Dst:             _ZN9OpenBabel9OBResidue6GetNumEv
        - Src:             'src/formats/mol2format.cpp:752,13'
          Dst:             snprintf
        - Src:             'src/formats/mol2format.cpp:753,47'
          Dst:             _ZN9OpenBabel9OBResidue6GetNumEv
        - Src:             'src/formats/mol2format.cpp:753,13'
          Dst:             snprintf
        - Src:             'src/formats/mol2format.cpp:757,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mol2format.cpp:758,24'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/mol2format.cpp:758,37'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/mol2format.cpp:758,50'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/mol2format.cpp:761,24'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/formats/mol2format.cpp:756,9'
          Dst:             snprintf
        - Src:             'src/formats/mol2format.cpp:726,50'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mol2format.cpp:770,23'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mol2format.cpp:772,28'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mol2format.cpp:775,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mol2format.cpp:770,52'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mol2format.cpp:785,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/mol2format.cpp:787,20'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/formats/mol2format.cpp:787,36'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/formats/mol2format.cpp:788,20'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/formats/mol2format.cpp:788,34'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/formats/mol2format.cpp:789,19'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/mol2format.cpp:791,24'
          Dst:             _ZN9OpenBabel6OBBond7IsAmideEv
        - Src:             'src/formats/mol2format.cpp:794,47'
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          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
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          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
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        - Src:             'src/formats/pdbformat.cpp:657,16'
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        - Src:             'src/formats/pdbformat.cpp:658,21'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/pdbformat.cpp:659,16'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/pdbformat.cpp:660,21'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/pdbformat.cpp:664,14'
          Dst:             _ZN9OpenBabel7vector34SetXEd
        - Src:             'src/formats/pdbformat.cpp:666,14'
          Dst:             _ZN9OpenBabel7vector34SetYEd
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          Dst:             _ZN9OpenBabel7vector34SetZEd
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          Dst:             _ZN9OpenBabel5OBMol9TranslateERKNS_7vector3E
        - Src:             'src/formats/pdbformat.cpp:676,26'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/pdbformat.cpp:678,20'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/pdbformat.cpp:679,56'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/pdbformat.cpp:679,28'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/pdbformat.cpp:679,9'
          Dst:             strncpy
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          Dst:             snprintf
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          Dst:             _ZN9OpenBabel6OBAtom10GetResidueEv
        - Src:             'src/formats/pdbformat.cpp:694,24'
          Dst:             _ZNK9OpenBabel9OBResidue9IsHetAtomEPNS_6OBAtomE
        - Src:             'src/formats/pdbformat.cpp:695,49'
          Dst:             _ZNK9OpenBabel9OBResidue7GetNameEv
        - Src:             'src/formats/pdbformat.cpp:695,13'
          Dst:             snprintf
        - Src:             'src/formats/pdbformat.cpp:697,51'
          Dst:             _ZNK9OpenBabel9OBResidue9GetAtomIDEPNS_6OBAtomE
        - Src:             'src/formats/pdbformat.cpp:697,13'
          Dst:             snprintf
        - Src:             'src/formats/pdbformat.cpp:698,30'
          Dst:             _ZNK9OpenBabel9OBResidue8GetChainEv
        - Src:             'src/formats/pdbformat.cpp:700,50'
          Dst:             _ZNK9OpenBabel9OBResidue10GetSegNameEv
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          Dst:             snprintf
        - Src:             'src/formats/pdbformat.cpp:703,52'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/pdbformat.cpp:703,24'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/pdbformat.cpp:703,17'
          Dst:             strlen
        - Src:             'src/formats/pdbformat.cpp:705,21'
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        - Src:             'src/formats/pdbformat.cpp:708,21'
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          Dst:             snprintf
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        - Src:             'src/formats/pdbformat.cpp:726,38'
          Dst:             _ZNK9OpenBabel9OBResidue16GetInsertionCodeEv
        - Src:             'src/formats/pdbformat.cpp:733,13'
          Dst:             snprintf
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          Dst:             strncpy
        - Src:             'src/formats/pdbformat.cpp:741,52'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/pdbformat.cpp:741,24'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/pdbformat.cpp:743,28'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/pdbformat.cpp:747,13'
          Dst:             snprintf
        - Src:             'src/formats/pdbformat.cpp:754,19'
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          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/pdbformat.cpp:756,42'
          Dst:             __dynamic_cast
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        - Src:             'src/formats/pdbformat.cpp:769,24'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/pdbformat.cpp:770,24'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/pdbformat.cpp:760,9'
          Dst:             snprintf
        - Src:             'src/formats/pdbformat.cpp:676,26'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/pdbformat.cpp:780,26'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/pdbformat.cpp:782,20'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/pdbformat.cpp:783,19'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/formats/pdbformat.cpp:788,26'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/formats/pdbformat.cpp:792,40'
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        - Src:             'src/formats/pdbformat.cpp:793,41'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
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          Dst:             snprintf
        - Src:             'src/formats/pdbformat.cpp:808,55'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/pdbformat.cpp:808,15'
          Dst:             snprintf
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          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/pdbformat.cpp:823,59'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/pdbformat.cpp:823,74'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/pdbformat.cpp:823,5'
          Dst:             snprintf
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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        - Src:             'src/formats/pdbformat.cpp:106,13'
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          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
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          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/reportformat.cpp:318,24'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/reportformat.cpp:318,24'
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          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/reportformat.cpp:337,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/reportformat.cpp:337,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/reportformat.cpp:337,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/reportformat.cpp:338,25'
          Dst:             sqrt
        - Src:             'src/formats/reportformat.cpp:339,19'
          Dst:             snprintf
        - Src:             'src/formats/reportformat.cpp:334,31'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/reportformat.cpp:335,25'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/reportformat.cpp:335,25'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/reportformat.cpp:335,25'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/reportformat.cpp:335,25'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:337,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/reportformat.cpp:337,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/reportformat.cpp:337,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/reportformat.cpp:337,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/reportformat.cpp:338,25'
          Dst:             sqrt
        - Src:             'src/formats/reportformat.cpp:339,19'
          Dst:             snprintf
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          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/reportformat.cpp:335,25'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/reportformat.cpp:335,25'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/reportformat.cpp:335,25'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/reportformat.cpp:335,25'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:337,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/reportformat.cpp:337,26'
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        - Src:             'src/formats/reportformat.cpp:337,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
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          Dst:             sqrt
        - Src:             'src/formats/reportformat.cpp:339,19'
          Dst:             snprintf
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          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
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        - Src:             'src/formats/reportformat.cpp:335,25'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/reportformat.cpp:335,25'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:337,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/reportformat.cpp:337,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/reportformat.cpp:337,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
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          Dst:             sqrt
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          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/reportformat.cpp:335,25'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/reportformat.cpp:335,25'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/reportformat.cpp:335,25'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:337,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/reportformat.cpp:337,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/reportformat.cpp:337,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
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          Dst:             sqrt
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
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      Callsites:
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        - Src:             'src/formats/reportformat.cpp:271,20'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
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          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/formats/reportformat.cpp:272,9'
          Dst:             snprintf
        - Src:             'src/formats/reportformat.cpp:269,24'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
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      functionsReached:
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        - Src:             'src/formats/reportformat.cpp:388,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
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          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
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          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
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          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/formats/reportformat.cpp:391,15'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/reportformat.cpp:392,24'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/formats/reportformat.cpp:392,15'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/reportformat.cpp:393,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/reportformat.cpp:393,41'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/reportformat.cpp:393,16'
          Dst:             _ZN9OpenBabel6OBAtom8GetAngleEii
        - Src:             'src/formats/reportformat.cpp:396,20'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/reportformat.cpp:396,32'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/reportformat.cpp:396,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/reportformat.cpp:397,20'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/formats/reportformat.cpp:397,33'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/formats/reportformat.cpp:397,46'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/formats/reportformat.cpp:395,7'
          Dst:             snprintf
        - Src:             'src/formats/reportformat.cpp:388,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterppEv
        - Src:             'src/formats/reportformat.cpp:388,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
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      constantsTouched: []
      argNames:
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      ICount:          112
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      CyclomaticComplexity: 10
      functionsReached:
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        - _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/reportformat.cpp:360,19'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/formats/reportformat.cpp:361,19'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/formats/reportformat.cpp:363,20'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/reportformat.cpp:368,24'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/reportformat.cpp:374,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/reportformat.cpp:374,41'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/reportformat.cpp:374,53'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/reportformat.cpp:374,65'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/reportformat.cpp:375,29'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEPNS_6OBAtomES2_S2_S2_
        - Src:             'src/formats/reportformat.cpp:373,17'
          Dst:             snprintf
        - Src:             'src/formats/reportformat.cpp:368,51'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/reportformat.cpp:363,47'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/reportformat.cpp:358,53'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
    - functionName:    _ZN9OpenBabelL11OldIsChiralERNS_5OBMolE
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      ICount:          89
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      functionsReached:
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        - _ZN9OpenBabel6OBAtom8IsChiralEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
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        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/reportformat.cpp:197,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/reportformat.cpp:197,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/reportformat.cpp:198,18'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/reportformat.cpp:198,64'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/reportformat.cpp:199,18'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/formats/reportformat.cpp:200,18'
          Dst:             _ZN9OpenBabel6OBAtom8IsChiralEv
    - functionName:    _ZN9OpenBabel12ReportFormat11WriteChiralERNSt3__113basic_ostreamIcNS1_11char_traitsIcEEEERNS_5OBMolE
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      argTypes:
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      constantsTouched: []
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      functionsReached:
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        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel6OBAtom8IsChiralEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/reportformat.cpp:411,19'
          Dst:             _ZN9OpenBabel6OBAtom8IsChiralEv
        - Src:             'src/formats/reportformat.cpp:409,50'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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      functionSourceFile: '/src/openbabel/include/openbabel/obiter.h'
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      argTypes:
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      functionsReached: []
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      Callsites:       []
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      functionsReached: []
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      Callsites:       []
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      functionSourceFile: '/src/openbabel/include/openbabel/obiter.h'
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      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         3
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      functionsReached: []
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      Callsites:       []
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      argTypes:        []
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             __cxx_global_var_init
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      argTypes:        []
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      EdgeCount:       3
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel9SVGFormatC2Ev
        - Src:             'src/formats/svgformat.cpp:0,0'
          Dst:             __cxa_atexit
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          Dst:             _ZN9OpenBabel9SVGFormatD2Ev
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      functionSourceFile: '/src/openbabel/src/formats/svgformat.cpp'
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      argCount:        1
      argTypes:
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      constantsTouched: []
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          Dst:             _ZNK9OpenBabel12OBConversion8GetTitleEv
        - Src:             'src/formats/gamessformat.cpp:236,37'
          Dst:             _ZN9OpenBabel15OBConformerDataC2Ev
        - Src:             'src/formats/gamessformat.cpp:237,15'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gamessformat.cpp:238,62'
          Dst:             _ZN9OpenBabel15OBConformerData12GetDimensionEv
        - Src:             'src/formats/gamessformat.cpp:239,62'
          Dst:             _ZN9OpenBabel15OBConformerData11GetEnergiesEv
        - Src:             'src/formats/gamessformat.cpp:240,66'
          Dst:             _ZN9OpenBabel15OBConformerData9GetForcesEv
        - Src:             'src/formats/gamessformat.cpp:252,29'
          Dst:             _ZN9OpenBabel9OBSetDataC2Ev
        - Src:             'src/formats/gamessformat.cpp:253,13'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:254,13'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gamessformat.cpp:260,11'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:261,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:263,20'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:266,11'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:267,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:269,18'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:272,11'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:275,8'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:278,26'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:279,14'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:280,14'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:281,14'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:284,23'
          Dst:             _ZN9OpenBabel5OBMol7NewAtomEv
        - Src:             'src/formats/gamessformat.cpp:285,18'
          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/gamessformat.cpp:293,10'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:296,21'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gamessformat.cpp:304,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:315,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:322,15'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:323,25'
          Dst:             _ZN9OpenBabel10OBElements12GetAtomicNumEPKc
        - Src:             'src/formats/gamessformat.cpp:326,26'
          Dst:             _ZN9OpenBabel5OBMol7NewAtomEv
        - Src:             'src/formats/gamessformat.cpp:327,21'
          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/gamessformat.cpp:336,25'
          Dst:             _ZN9OpenBabel10OBElements12GetAtomicNumEPKc
        - Src:             'src/formats/gamessformat.cpp:0,0'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:0,0'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:0,0'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:346,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:349,27'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gamessformat.cpp:355,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:359,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:362,27'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:363,15'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:364,15'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:365,15'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:368,24'
          Dst:             _ZN9OpenBabel5OBMol7NewAtomEv
        - Src:             'src/formats/gamessformat.cpp:369,19'
          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/gamessformat.cpp:377,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:380,13'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:385,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:390,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:397,29'
          Dst:             _ZN9OpenBabel10OBElements12GetAtomicNumEPKc
        - Src:             'src/formats/gamessformat.cpp:399,29'
          Dst:             _ZN9OpenBabel10OBElements12GetAtomicNumEPKc
        - Src:             'src/formats/gamessformat.cpp:402,28'
          Dst:             _ZN9OpenBabel5OBMol7NewAtomEv
        - Src:             'src/formats/gamessformat.cpp:403,23'
          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/gamessformat.cpp:405,19'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:406,19'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:407,19'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:415,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:420,22'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gamessformat.cpp:428,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:428,58'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:429,21'
          Dst:             strtok
        - Src:             'src/formats/gamessformat.cpp:432,17'
          Dst:             strtok
        - Src:             'src/formats/gamessformat.cpp:432,17'
          Dst:             strtok
        - Src:             'src/formats/gamessformat.cpp:432,17'
          Dst:             strtok
        - Src:             'src/formats/gamessformat.cpp:437,36'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:442,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:450,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:452,44'
          Dst:             _ZN9OpenBabel12OBVectorDataC2Ev
        - Src:             'src/formats/gamessformat.cpp:453,25'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:455,15'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:456,15'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:457,15'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:458,25'
          Dst:             _ZN9OpenBabel12OBVectorData7SetDataEddd
        - Src:             'src/formats/gamessformat.cpp:459,25'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gamessformat.cpp:460,15'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gamessformat.cpp:463,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:468,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:470,30'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:470,22'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/gamessformat.cpp:471,34'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:471,17'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/formats/gamessformat.cpp:475,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:478,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:482,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:485,24'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:488,22'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/gamessformat.cpp:489,34'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:489,17'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/formats/gamessformat.cpp:493,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:496,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:497,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:499,19'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:501,19'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:503,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:504,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:507,29'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:508,29'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:510,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:511,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:513,25'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:513,15'
          Dst:             _ZN9OpenBabel5OBMol9SetEnergyEd
        - Src:             'src/formats/gamessformat.cpp:515,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:516,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:522,36'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:524,35'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:527,13'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:532,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:536,35'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:539,13'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:540,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:543,43'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:558,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:564,30'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:564,22'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/gamessformat.cpp:565,47'
          Dst:             _ZNK9OpenBabel6OBAtom13GetAtomicMassEv
        - Src:             'src/formats/gamessformat.cpp:565,35'
          Dst:             sqrt
        - Src:             'src/formats/gamessformat.cpp:570,45'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:574,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:576,45'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:581,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:583,45'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:591,52'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/gamessformat.cpp:591,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/gamessformat.cpp:591,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/gamessformat.cpp:598,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:602,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:603,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:610,16'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:611,16'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:615,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:617,40'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:620,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:627,21'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:628,21'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:634,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:640,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:643,54'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:645,28'
          Dst:             _ZN9OpenBabel9OBSetDataC2Ev
        - Src:             'src/formats/gamessformat.cpp:646,23'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:647,23'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gamessformat.cpp:648,23'
          Dst:             _ZN9OpenBabel9OBSetData7AddDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gamessformat.cpp:653,40'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/formats/gamessformat.cpp:654,23'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:655,23'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:656,23'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gamessformat.cpp:657,25'
          Dst:             _ZN9OpenBabel9OBSetData7AddDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gamessformat.cpp:684,13'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gamessformat.cpp:691,31'
          Dst:             _ZN9OpenBabel13OBOrbitalDataC2Ev
        - Src:             'src/formats/gamessformat.cpp:694,13'
          Dst:             _ZN9OpenBabel13OBOrbitalData23LoadClosedShellOrbitalsENSt3__16vectorIdNS1_9allocatorIdEEEENS2_INS1_12basic_stringIcNS1_11char_traitsIcEENS3_IcEEEENS3_ISA_EEEEj
        - Src:             'src/formats/gamessformat.cpp:696,11'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gamessformat.cpp:697,11'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gamessformat.cpp:700,41'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/gamessformat.cpp:704,13'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gamessformat.cpp:707,46'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataEPKc
        - Src:             'src/formats/gamessformat.cpp:708,46'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataEPKc
        - Src:             'src/formats/gamessformat.cpp:717,34'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataEPKc
        - Src:             'src/formats/gamessformat.cpp:723,34'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataEPKc
        - Src:             'src/formats/gamessformat.cpp:729,34'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataEPKc
        - Src:             'src/formats/gamessformat.cpp:735,34'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataEPKc
        - Src:             'src/formats/gamessformat.cpp:741,34'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataEPKc
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        - _ZN9OpenBabel26OBElectronicTransitionData26SetRotatoryStrengthsLengthERKNSt3__16vectorIdNS1_9allocatorIdEEEE
        - _ZN9OpenBabel26OBElectronicTransitionData28SetRotatoryStrengthsVelocityERKNSt3__16vectorIdNS1_9allocatorIdEEEE
        - _ZN9OpenBabel26OBElectronicTransitionData7SetDataERKNSt3__16vectorIdNS1_9allocatorIdEEEES7_
        - _ZN9OpenBabel26OBElectronicTransitionDataC2Ev
        - _ZN9OpenBabel5OBMol12SetConformerEj
        - _ZN9OpenBabel5OBMol13NumConformersEv
        - _ZN9OpenBabel5OBMol13SetConformersERNSt3__16vectorIPdNS1_9allocatorIS3_EEEE
        - _ZN9OpenBabel5OBMol14ConnectTheDotsEv
        - _ZN9OpenBabel5OBMol14SetCoordinatesEPd
        - _ZN9OpenBabel5OBMol14SetTotalChargeEi
        - _ZN9OpenBabel5OBMol18PerceiveBondOrdersEv
        - _ZN9OpenBabel5OBMol24AssignTotalChargeToAtomsEi
        - _ZN9OpenBabel5OBMol24SetTotalSpinMultiplicityEj
        - _ZN9OpenBabel5OBMol26SetPartialChargesPerceivedEb
        - _ZN9OpenBabel5OBMol7NewAtomEv
        - _ZN9OpenBabel5OBMol9SetEnergyEd
        - _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - _ZN9OpenBabel6OBBase10DeleteDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel6OBBase12CastAndClearINS_5OBMolEEEPT_b
        - _ZN9OpenBabel6OBBase7HasDataEPKc
        - _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - _ZN9OpenBabel7vector33SetEddd
        - _ZN9OpenBabel7vector3C2ERKS0_
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - _ZN9OpenBabel9OBPcharge16AddPartialChargeENSt3__16vectorIdNS1_9allocatorIdEEEE
        - _ZN9OpenBabel9OBPchargeC2Ev
        - _ZN9OpenBabel9matrix3x3C2EPA3_d
        - _ZN9OpenBabel9matrix3x3D2Ev
        - _ZN9OpenBabelL14extract_thermoEPNS_5OBMolENSt3__112basic_stringIcNS2_11char_traitsIcEENS2_9allocatorIcEEEEddddddiNS2_6vectorIdNS6_IdEEEE
        - _ZN9OpenBabelL26add_unique_pairdata_to_molEPNS_5OBMolENSt3__112basic_stringIcNS2_11char_traitsIcEENS2_9allocatorIcEEEES8_i
        - _ZNK9OpenBabel12OBConversion11GetInStreamEv
        - _ZNK9OpenBabel12OBConversion8GetTitleEv
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel5OBMol9GetEnergyEv
        - __isoc99_sscanf
        - atof
        - atoi
        - strchr
        - strdup
        - strlen
        - strstr
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/gaussformat.cpp:428,24'
          Dst:             _ZN9OpenBabel6OBBase12CastAndClearINS_5OBMolEEEPT_b
        - Src:             'src/formats/gaussformat.cpp:433,28'
          Dst:             _ZNK9OpenBabel12OBConversion11GetInStreamEv
        - Src:             'src/formats/gaussformat.cpp:435,32'
          Dst:             _ZNK9OpenBabel12OBConversion8GetTitleEv
        - Src:             'src/formats/gaussformat.cpp:470,37'
          Dst:             _ZN9OpenBabel15OBConformerDataC2Ev
        - Src:             'src/formats/gaussformat.cpp:471,15'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:472,60'
          Dst:             _ZN9OpenBabel15OBConformerData12GetDimensionEv
        - Src:             'src/formats/gaussformat.cpp:473,60'
          Dst:             _ZN9OpenBabel15OBConformerData11GetEnergiesEv
        - Src:             'src/formats/gaussformat.cpp:474,66'
          Dst:             _ZN9OpenBabel15OBConformerData9GetForcesEv
        - Src:             'src/formats/gaussformat.cpp:485,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/gaussformat.cpp:485,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/gaussformat.cpp:485,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/gaussformat.cpp:507,13'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:512,13'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:512,59'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:515,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:529,12'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:534,26'
          Dst:             strchr
        - Src:             'src/formats/gaussformat.cpp:541,19'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:543,30'
          Dst:             strlen
        - Src:             'src/formats/gaussformat.cpp:547,19'
          Dst:             _ZN9OpenBabelL26add_unique_pairdata_to_molEPNS_5OBMolENSt3__112basic_stringIcNS2_11char_traitsIcEENS2_9allocatorIcEEEES8_i
        - Src:             'src/formats/gaussformat.cpp:552,21'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:559,41'
          Dst:             _ZN9OpenBabel13OBCommentDataC2Ev
        - Src:             'src/formats/gaussformat.cpp:560,21'
          Dst:             _ZN9OpenBabel13OBCommentData7SetDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:561,21'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:562,21'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:564,17'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:567,33'
          Dst:             strdup
        - Src:             'src/formats/gaussformat.cpp:568,33'
          Dst:             strchr
        - Src:             'src/formats/gaussformat.cpp:573,25'
          Dst:             _ZN9OpenBabelL26add_unique_pairdata_to_molEPNS_5OBMolENSt3__112basic_stringIcNS2_11char_traitsIcEENS2_9allocatorIcEEEES8_i
        - Src:             'src/formats/gaussformat.cpp:575,25'
          Dst:             _ZN9OpenBabelL26add_unique_pairdata_to_molEPNS_5OBMolENSt3__112basic_stringIcNS2_11char_traitsIcEENS2_9allocatorIcEEEES8_i
        - Src:             'src/formats/gaussformat.cpp:585,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:587,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:590,32'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:591,37'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:596,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:604,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:608,21'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:609,21'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:610,21'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:611,33'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:616,34'
          Dst:             _ZN9OpenBabel5OBMol7NewAtomEv
        - Src:             'src/formats/gaussformat.cpp:617,42'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:617,29'
          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/gaussformat.cpp:624,63'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/formats/gaussformat.cpp:630,17'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:633,26'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:645,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:648,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:651,52'
          Dst:             _ZN9OpenBabel12OBVectorDataC2Ev
        - Src:             'src/formats/gaussformat.cpp:652,33'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:654,23'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:655,23'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:656,23'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:657,33'
          Dst:             _ZN9OpenBabel12OBVectorData7SetDataEddd
        - Src:             'src/formats/gaussformat.cpp:658,33'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:659,23'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:663,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:666,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:668,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:672,67'
          Dst:             _ZN9OpenBabel12OBMatrixDataC2Ev
        - Src:             'src/formats/gaussformat.cpp:674,29'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:675,29'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:676,29'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:677,39'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:678,39'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:679,39'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:680,29'
          Dst:             _ZN9OpenBabel9matrix3x3C2EPA3_d
        - Src:             'src/formats/gaussformat.cpp:682,37'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:683,37'
          Dst:             _ZN9OpenBabel12OBMatrixData7SetDataENS_9matrix3x3E
        - Src:             'src/formats/gaussformat.cpp:683,19'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/gaussformat.cpp:684,37'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:685,23'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:686,17'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/gaussformat.cpp:686,17'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/gaussformat.cpp:689,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:695,24'
          Dst:             __isoc99_sscanf
        - Src:             'src/formats/gaussformat.cpp:699,61'
          Dst:             _ZN9OpenBabel12OBMatrixDataC2Ev
        - Src:             'src/formats/gaussformat.cpp:707,29'
          Dst:             _ZN9OpenBabel9matrix3x3C2EPA3_d
        - Src:             'src/formats/gaussformat.cpp:709,27'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/formats/gaussformat.cpp:711,27'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:713,31'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:714,31'
          Dst:             _ZN9OpenBabel12OBMatrixData7SetDataENS_9matrix3x3E
        - Src:             'src/formats/gaussformat.cpp:714,19'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/gaussformat.cpp:715,31'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:716,23'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:717,17'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/gaussformat.cpp:717,17'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/gaussformat.cpp:720,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:721,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:722,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:734,21'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/formats/gaussformat.cpp:736,21'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:738,39'
          Dst:             _ZN9OpenBabel9OBPchargeC2Ev
        - Src:             'src/formats/gaussformat.cpp:743,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:745,20'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:747,36'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:747,28'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/gaussformat.cpp:750,40'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:750,23'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/formats/gaussformat.cpp:751,33'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:753,17'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:756,37'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:758,27'
          Dst:             _ZN9OpenBabel9OBPcharge16AddPartialChargeENSt3__16vectorIdNS1_9allocatorIdEEEE
        - Src:             'src/formats/gaussformat.cpp:759,27'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:760,27'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:761,21'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:765,84'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:768,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:769,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:777,21'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/formats/gaussformat.cpp:779,21'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:781,21'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/formats/gaussformat.cpp:783,21'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:785,40'
          Dst:             _ZN9OpenBabel9OBPchargeC2Ev
        - Src:             'src/formats/gaussformat.cpp:786,40'
          Dst:             _ZN9OpenBabel9OBPchargeC2Ev
        - Src:             'src/formats/gaussformat.cpp:791,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:793,20'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:795,36'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:795,28'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/gaussformat.cpp:798,40'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:798,23'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/formats/gaussformat.cpp:799,33'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:800,33'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:802,17'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:805,37'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:806,37'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:808,28'
          Dst:             _ZN9OpenBabel9OBPcharge16AddPartialChargeENSt3__16vectorIdNS1_9allocatorIdEEEE
        - Src:             'src/formats/gaussformat.cpp:809,28'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:810,28'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:811,22'
          Dst:             _ZN9OpenBabel9OBPcharge16AddPartialChargeENSt3__16vectorIdNS1_9allocatorIdEEEE
        - Src:             'src/formats/gaussformat.cpp:812,22'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:813,22'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:814,21'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:815,21'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:819,85'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:822,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:826,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:829,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:831,25'
          Dst:             _ZN9OpenBabel10OBFreeGridC2Ev
        - Src:             'src/formats/gaussformat.cpp:834,31'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:834,51'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:835,31'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:834,22'
          Dst:             _ZN9OpenBabel10OBFreeGrid8AddPointEdddd
        - Src:             'src/formats/gaussformat.cpp:840,26'
          Dst:             __isoc99_sscanf
        - Src:             'src/formats/gaussformat.cpp:842,26'
          Dst:             _ZN9OpenBabel10OBFreeGrid8AddPointEdddd
        - Src:             'src/formats/gaussformat.cpp:846,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:849,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:851,25'
          Dst:             _ZN9OpenBabel10OBFreeGridC2Ev
        - Src:             'src/formats/gaussformat.cpp:854,31'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:854,51'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:855,31'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:854,22'
          Dst:             _ZN9OpenBabel10OBFreeGrid8AddPointEdddd
        - Src:             'src/formats/gaussformat.cpp:860,26'
          Dst:             __isoc99_sscanf
        - Src:             'src/formats/gaussformat.cpp:862,26'
          Dst:             _ZN9OpenBabel10OBFreeGrid8AddPointEdddd
        - Src:             'src/formats/gaussformat.cpp:866,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:877,23'
          Dst:             _ZN9OpenBabel10OBFreeGrid9NumPointsEv
        - Src:             'src/formats/gaussformat.cpp:878,25'
          Dst:             _ZN9OpenBabel10OBFreeGrid11BeginPointsEv
        - Src:             'src/formats/gaussformat.cpp:880,28'
          Dst:             _ZN9OpenBabel10OBFreeGrid10BeginPointERNSt3__111__wrap_iterIPPNS_15OBFreeGridPointEEE
        - Src:             'src/formats/gaussformat.cpp:883,17'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:886,31'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:886,26'
          Dst:             _ZN9OpenBabel15OBFreeGridPoint4SetVEd
        - Src:             'src/formats/gaussformat.cpp:880,73'
          Dst:             _ZN9OpenBabel10OBFreeGrid9NextPointERNSt3__111__wrap_iterIPPNS_15OBFreeGridPointEEE
        - Src:             'src/formats/gaussformat.cpp:894,26'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:895,26'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:896,25'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:901,45'
          Dst:             _ZN9OpenBabel10OBFreeGrid9NumPointsEv
        - Src:             'src/formats/gaussformat.cpp:906,22'
          Dst:             _ZN9OpenBabel10OBFreeGrid5ClearEv
        - Src:             'src/formats/gaussformat.cpp:909,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:913,21'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/formats/gaussformat.cpp:915,21'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:917,34'
          Dst:             _ZN9OpenBabel9OBPchargeC2Ev
        - Src:             'src/formats/gaussformat.cpp:922,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:924,20'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:926,36'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:926,28'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/gaussformat.cpp:929,40'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:929,23'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/formats/gaussformat.cpp:930,33'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:932,17'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:934,37'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:936,22'
          Dst:             _ZN9OpenBabel9OBPcharge16AddPartialChargeENSt3__16vectorIdNS1_9allocatorIdEEEE
        - Src:             'src/formats/gaussformat.cpp:937,22'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:938,22'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:939,21'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:943,79'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:946,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:954,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:956,20'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:958,36'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:958,28'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/gaussformat.cpp:961,40'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:961,23'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/formats/gaussformat.cpp:964,17'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:967,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:970,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:972,35'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:976,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:978,35'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:981,14'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:982,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:984,41'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:987,20'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:991,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:996,19'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:997,19'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:998,19'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1001,32'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/gaussformat.cpp:1001,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/gaussformat.cpp:1001,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/gaussformat.cpp:1003,32'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/gaussformat.cpp:1003,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/gaussformat.cpp:1003,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/gaussformat.cpp:1005,32'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/gaussformat.cpp:1005,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/gaussformat.cpp:1005,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/gaussformat.cpp:1010,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1019,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1021,14'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1023,19'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1025,19'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1030,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1031,23'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:1034,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1036,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1039,33'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1042,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1044,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1047,21'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:1048,21'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:1051,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1061,19'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1064,34'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1065,34'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1070,40'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1072,19'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1074,34'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1074,75'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1061,19'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1064,34'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1065,34'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1070,40'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1072,19'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1074,34'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1074,75'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1089,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1089,45'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1092,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1093,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1099,34'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1104,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1107,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1109,33'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1110,28'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1115,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1120,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1122,24'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1125,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1128,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1131,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1133,24'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1136,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1139,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1142,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1144,24'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1147,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1151,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1158,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1160,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1163,36'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:1163,28'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/gaussformat.cpp:1164,44'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/formats/gaussformat.cpp:1165,27'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:1168,27'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:1170,23'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:1173,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1175,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1176,27'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1176,17'
          Dst:             _ZN9OpenBabel5OBMol9SetEnergyEd
        - Src:             'src/formats/gaussformat.cpp:1177,40'
          Dst:             _ZNK9OpenBabel5OBMol9GetEnergyEv
        - Src:             'src/formats/gaussformat.cpp:1192,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1194,13'
          Dst:             _ZN9OpenBabelL26add_unique_pairdata_to_molEPNS_5OBMolENSt3__112basic_stringIcNS2_11char_traitsIcEENS2_9allocatorIcEEEES8_i
        - Src:             'src/formats/gaussformat.cpp:1196,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1198,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1199,20'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1202,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1204,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1205,21'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1208,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1210,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1211,21'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1214,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1218,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1223,28'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1229,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1232,41'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1235,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1238,41'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1241,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1244,41'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1247,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1248,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1250,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1251,29'
          Dst:             atof
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          Dst:             atof
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          Dst:             strstr
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          Dst:             atof
        - Src:             'src/formats/pwscfformat.cpp:155,15'
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             strstr
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          Dst:             atof
        - Src:             'src/formats/pwscfformat.cpp:175,15'
          Dst:             atof
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          Dst:             atof
        - Src:             'src/formats/pwscfformat.cpp:181,15'
          Dst:             atof
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        - Src:             'src/formats/pwscfformat.cpp:186,15'
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        - Src:             'src/formats/pwscfformat.cpp:187,15'
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          Dst:             strstr
        - Src:             'src/formats/pwscfformat.cpp:210,16'
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          Dst:             atof
        - Src:             'src/formats/pwscfformat.cpp:226,15'
          Dst:             atof
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          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/pwscfformat.cpp:232,35'
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/pwscfformat.cpp:232,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/pwscfformat.cpp:232,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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        - Src:             'src/formats/pwscfformat.cpp:235,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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        - Src:             'src/formats/pwscfformat.cpp:242,9'
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        - Src:             'src/formats/pwscfformat.cpp:243,7'
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        - Src:             'src/formats/pwscfformat.cpp:248,25'
          Dst:             atof
        - Src:             'src/formats/pwscfformat.cpp:248,15'
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        - Src:             'src/formats/pwscfformat.cpp:252,11'
          Dst:             strstr
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        - Src:             'src/formats/pwscfformat.cpp:254,25'
          Dst:             atof
        - Src:             'src/formats/pwscfformat.cpp:254,15'
          Dst:             _ZN9OpenBabel5OBMol9SetEnergyEd
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          Dst:             atof
        - Src:             'src/formats/pwscfformat.cpp:263,31'
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        - Src:             'src/formats/pwscfformat.cpp:268,11'
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          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/pwscfformat.cpp:301,3'
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          Dst:             strstr
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        - Src:             'src/formats/vaspformat.cpp:441,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:445,13'
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        - Src:             'src/formats/vaspformat.cpp:458,19'
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        - Src:             'src/formats/vaspformat.cpp:464,37'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:465,24'
          Dst:             strstr
        - Src:             'src/formats/vaspformat.cpp:467,38'
          Dst:             atof
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          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:477,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:478,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:479,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:480,29'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/vaspformat.cpp:480,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:482,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:480,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:489,13'
          Dst:             strstr
        - Src:             'src/formats/vaspformat.cpp:490,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:491,15'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:492,15'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:493,15'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:494,18'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/formats/vaspformat.cpp:496,13'
          Dst:             strstr
        - Src:             'src/formats/vaspformat.cpp:500,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:502,17'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:503,17'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:504,17'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:505,31'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/vaspformat.cpp:505,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:507,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:505,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:510,13'
          Dst:             strstr
        - Src:             'src/formats/vaspformat.cpp:515,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:517,23'
          Dst:             _ZN9OpenBabel9matrix3x3C2Ev
        - Src:             'src/formats/vaspformat.cpp:520,15'
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          Dst:             snprintf
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          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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        - Src:             'src/formats/cifformat.cpp:1517,23'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/cifformat.cpp:1521,19'
          Dst:             _ZN9OpenBabel5OBMol14ConnectTheDotsEv
        - Src:             'src/formats/cifformat.cpp:1522,22'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/cifformat.cpp:1533,34'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/cifformat.cpp:1534,33'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/formats/cifformat.cpp:1536,39'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/cifformat.cpp:1537,48'
          Dst:             _ZN9OpenBabel5OBMol7NewBondEv
        - Src:             'src/formats/cifformat.cpp:1538,34'
          Dst:             _ZN9OpenBabel6OBBond8SetBeginEPNS_6OBAtomE
        - Src:             'src/formats/cifformat.cpp:1539,34'
          Dst:             _ZN9OpenBabel6OBBond6SetEndEPNS_6OBAtomE
        - Src:             'src/formats/cifformat.cpp:1540,34'
          Dst:             _ZN9OpenBabel6OBBond12SetBondOrderEi
        - Src:             'src/formats/cifformat.cpp:1541,34'
          Dst:             _ZN9OpenBabel6OBBond9SetLengthEd
        - Src:             'src/formats/cifformat.cpp:1543,40'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/cifformat.cpp:1547,23'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/cifformat.cpp:1547,72'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/cifformat.cpp:1548,19'
          Dst:             _ZN9OpenBabel5OBMol18PerceiveBondOrdersEv
        - Src:             'src/formats/cifformat.cpp:1550,17'
          Dst:             _ZN9OpenBabel5OBMol24SetAutomaticFormalChargeEb
        - Src:             'src/formats/cifformat.cpp:1551,11'
          Dst:             _ZN9OpenBabel20CorrectFormalChargesEPNS_5OBMolE
        - Src:             'src/formats/cifformat.cpp:1556,16'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/cifformat.cpp:1558,3'
          Dst:             _ZN9OpenBabel3CIFD2Ev
        - Src:             'src/formats/cifformat.cpp:1558,3'
          Dst:             _ZN9OpenBabel3CIFD2Ev
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      functionLinenumberEnd: 1752
      functionDepth:   0
      returnType:      bool
      argCount:        3
      argTypes:
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        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
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      ICount:          1134
      EdgeCount:       366
      CyclomaticComplexity: 153
      functionsReached:
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        - _ZN9OpenBabel10OBUnitCell13GetSpaceGroupEv
        - _ZN9OpenBabel10OBUnitCell20UnwrapFractionalNearENS_7vector3ES1_
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        - _ZN9OpenBabel10OBUnitCell24WrapFractionalCoordinateENS_7vector3E
        - _ZN9OpenBabel10OBUnitCell4GetAEv
        - _ZN9OpenBabel10OBUnitCell4GetBEv
        - _ZN9OpenBabel10OBUnitCell4GetCEv
        - _ZN9OpenBabel10OBUnitCell7GetBetaEv
        - _ZN9OpenBabel10OBUnitCell8GetAlphaEv
        - _ZN9OpenBabel10OBUnitCell8GetGammaEv
        - _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel6OBBase7GetDataEPKc
        - _ZN9OpenBabel6OBBase7GetDataEj
        - _ZN9OpenBabel6OBBase7HasDataEPKc
        - _ZN9OpenBabel6OBBase7HasDataEj
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZN9OpenBabel7vector31xEv
        - _ZN9OpenBabel7vector31yEv
        - _ZN9OpenBabel7vector31zEv
        - _ZN9OpenBabel7vector3C2ERKS0_
        - _ZN9OpenBabel7vector3C2Eddd
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        - _ZNK9OpenBabel10SpaceGroup14BeginTransformERNSt3__121__list_const_iteratorIPNS_11transform3dEPvEE
        - _ZNK9OpenBabel10SpaceGroup9GetHMNameEv
        - _ZNK9OpenBabel11transform3d16DescribeAsStringEv
        - _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - _ZNK9OpenBabel5OBMol8NumBondsEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBBond10IsPeriodicEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel6OBBond9GetLengthEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel7vector3ixEj
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      functionUses:    0
      BranchProfiles:  []
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          Dst:             __dynamic_cast
        - Src:             'src/formats/cifformat.cpp:1567,28'
          Dst:             _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - Src:             'src/formats/cifformat.cpp:1570,34'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/cifformat.cpp:1581,15'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEj
        - Src:             'src/formats/cifformat.cpp:1583,34'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEj
        - Src:             'src/formats/cifformat.cpp:1584,42'
          Dst:             _ZN9OpenBabel10OBUnitCell4GetAEv
        - Src:             'src/formats/cifformat.cpp:1585,42'
          Dst:             _ZN9OpenBabel10OBUnitCell4GetBEv
        - Src:             'src/formats/cifformat.cpp:1586,42'
          Dst:             _ZN9OpenBabel10OBUnitCell4GetCEv
        - Src:             'src/formats/cifformat.cpp:1587,45'
          Dst:             _ZN9OpenBabel10OBUnitCell8GetAlphaEv
        - Src:             'src/formats/cifformat.cpp:1588,45'
          Dst:             _ZN9OpenBabel10OBUnitCell7GetBetaEv
        - Src:             'src/formats/cifformat.cpp:1589,45'
          Dst:             _ZN9OpenBabel10OBUnitCell8GetGammaEv
        - Src:             'src/formats/cifformat.cpp:1591,38'
          Dst:             _ZN9OpenBabel10OBUnitCell13GetSpaceGroupEv
        - Src:             'src/formats/cifformat.cpp:1595,27'
          Dst:             _ZNK9OpenBabel10SpaceGroup9GetHMNameEv
        - Src:             'src/formats/cifformat.cpp:1597,60'
          Dst:             _ZNK9OpenBabel10SpaceGroup9GetHMNameEv
        - Src:             'src/formats/cifformat.cpp:1599,60'
          Dst:             _ZNK9OpenBabel10SpaceGroup9GetHMNameEv
        - Src:             'src/formats/cifformat.cpp:1600,55'
          Dst:             _ZNK9OpenBabel10SpaceGroup11GetHallNameEv
        - Src:             'src/formats/cifformat.cpp:1604,41'
          Dst:             _ZNK9OpenBabel10SpaceGroup14BeginTransformERNSt3__121__list_const_iteratorIPNS_11transform3dEPvEE
        - Src:             'src/formats/cifformat.cpp:1607,37'
          Dst:             _ZNK9OpenBabel11transform3d16DescribeAsStringEv
        - Src:             'src/formats/cifformat.cpp:1608,26'
          Dst:             _ZNK9OpenBabel10SpaceGroup13NextTransformERNSt3__121__list_const_iteratorIPNS_11transform3dEPvEE
        - Src:             'src/formats/cifformat.cpp:1622,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/cifformat.cpp:1622,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/cifformat.cpp:1622,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/cifformat.cpp:1663,16'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/cifformat.cpp:1625,28'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/formats/cifformat.cpp:1625,22'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/cifformat.cpp:1627,43'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/cifformat.cpp:1627,21'
          Dst:             _ZN9OpenBabel10OBUnitCell21CartesianToFractionalENS_7vector3E
        - Src:             'src/formats/cifformat.cpp:1627,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/formats/cifformat.cpp:1627,12'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1627,12'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1629,47'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/cifformat.cpp:1629,22'
          Dst:             _ZN9OpenBabel10OBUnitCell24WrapFractionalCoordinateENS_7vector3E
        - Src:             'src/formats/cifformat.cpp:1629,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/formats/cifformat.cpp:1629,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1629,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1627,12'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1629,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1631,16'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/formats/cifformat.cpp:1632,16'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/formats/cifformat.cpp:1633,16'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/formats/cifformat.cpp:1637,20'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/formats/cifformat.cpp:1639,66'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/cifformat.cpp:1639,23'
          Dst:             __dynamic_cast
        - Src:             'src/formats/cifformat.cpp:1643,20'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/formats/cifformat.cpp:1645,68'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/cifformat.cpp:1645,34'
          Dst:             __dynamic_cast
        - Src:             'src/formats/cifformat.cpp:1650,54'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/cifformat.cpp:1650,26'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/cifformat.cpp:1650,72'
          Dst:             _ZN9OpenBabel9to_stringIjEENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEET_
        - Src:             'src/formats/cifformat.cpp:1657,66'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/cifformat.cpp:1657,38'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/cifformat.cpp:1656,10'
          Dst:             snprintf
        - Src:             'src/formats/cifformat.cpp:1661,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1661,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1665,19'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/formats/cifformat.cpp:1666,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/cifformat.cpp:1674,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/cifformat.cpp:1677,9'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/formats/cifformat.cpp:1677,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/cifformat.cpp:1677,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/cifformat.cpp:1679,51'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/formats/cifformat.cpp:1680,51'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/formats/cifformat.cpp:1684,21'
          Dst:             _ZNK9OpenBabel6OBBond10IsPeriodicEv
        - Src:             'src/formats/cifformat.cpp:1685,52'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEj
        - Src:             'src/formats/cifformat.cpp:1686,23'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/cifformat.cpp:1686,30'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/cifformat.cpp:1686,40'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/cifformat.cpp:1686,54'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/cifformat.cpp:1688,56'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/formats/cifformat.cpp:1688,72'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/formats/cifformat.cpp:1688,50'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/cifformat.cpp:1688,28'
          Dst:             _ZN9OpenBabel10OBUnitCell21CartesianToFractionalENS_7vector3E
        - Src:             'src/formats/cifformat.cpp:1688,21'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/formats/cifformat.cpp:1688,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1688,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1689,53'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/cifformat.cpp:1689,28'
          Dst:             _ZN9OpenBabel10OBUnitCell24WrapFractionalCoordinateENS_7vector3E
        - Src:             'src/formats/cifformat.cpp:1689,21'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/formats/cifformat.cpp:1689,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1689,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1690,59'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/formats/cifformat.cpp:1690,73'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/formats/cifformat.cpp:1690,53'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/cifformat.cpp:1690,31'
          Dst:             _ZN9OpenBabel10OBUnitCell21CartesianToFractionalENS_7vector3E
        - Src:             'src/formats/cifformat.cpp:1690,24'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/formats/cifformat.cpp:1690,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1690,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1691,56'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/cifformat.cpp:1691,31'
          Dst:             _ZN9OpenBabel10OBUnitCell24WrapFractionalCoordinateENS_7vector3E
        - Src:             'src/formats/cifformat.cpp:1691,24'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/formats/cifformat.cpp:1691,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1691,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1692,56'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/cifformat.cpp:1692,66'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/cifformat.cpp:1692,35'
          Dst:             _ZN9OpenBabel10OBUnitCell20UnwrapFractionalNearENS_7vector3ES1_
        - Src:             'src/formats/cifformat.cpp:1692,28'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/formats/cifformat.cpp:1692,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1692,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1692,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1696,43'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/formats/cifformat.cpp:1696,28'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/formats/cifformat.cpp:1696,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1700,37'
          Dst:             _ZNK9OpenBabel7vector3ixEj
        - Src:             'src/formats/cifformat.cpp:1688,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1689,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1690,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1691,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1692,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1692,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/cifformat.cpp:1701,49'
          Dst:             lrint
        - Src:             'src/formats/cifformat.cpp:1700,37'
          Dst:             _ZNK9OpenBabel7vector3ixEj
        - Src:             'src/formats/cifformat.cpp:1701,49'
          Dst:             lrint
        - Src:             'src/formats/cifformat.cpp:1700,37'
          Dst:             _ZNK9OpenBabel7vector3ixEj
        - Src:             'src/formats/cifformat.cpp:1701,49'
          Dst:             lrint
        - Src:             'src/formats/cifformat.cpp:1704,11'
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          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
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          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
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        - Src:             'src/formats/cifformat.cpp:503,15'
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          Dst:             _ZN9OpenBabel16CIFNumeric2FloatERKNSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEE
        - Src:             'src/formats/cifformat.cpp:784,23'
          Dst:             _ZN9OpenBabel7CIFData25Cartesian2FractionalCoordEv
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        - Src:             'src/formats/cifformat.cpp:781,45'
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          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
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          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
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          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
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      functionsReached:
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      linkageType:     InternalLinkage
      functionLinenumber: 113
      functionLinenumberEnd: 428
      functionDepth:   0
      returnType:      bool
      argCount:        3
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
        - ''
      BBCount:         521
      ICount:          2240
      EdgeCount:       828
      CyclomaticComplexity: 309
      functionsReached:
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        - _ZN9OpenBabel10OBUnitCell7SetDataENS_9matrix3x3E
        - _ZN9OpenBabel10OBUnitCell9SetOffsetENS_7vector3E
        - _ZN9OpenBabel10OBUnitCellC2Ev
        - _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel4TrimERNSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEE
        - _ZN9OpenBabel5OBMol12ReserveAtomsEi
        - _ZN9OpenBabel5OBMol14ConnectTheDotsEv
        - _ZN9OpenBabel5OBMol18PerceiveBondOrdersEv
        - _ZN9OpenBabel5OBMol7NewAtomEv
        - _ZN9OpenBabel5OBMol8SetTitleERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - _ZN9OpenBabel6OBAtom7SetTypeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel6OBAtom9SetVectorEddd
        - _ZN9OpenBabel6OBBase12CastAndClearINS_5OBMolEEEPT_b
        - _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
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        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
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        - _ZN9OpenBabel9matrix3x3C2Ev
        - _ZN9OpenBabel9matrix3x3D2Ev
        - _ZNK9OpenBabel12OBConversion11GetInStreamEv
        - _ZNK9OpenBabel12OBConversion8GetTitleEv
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      functionUses:    0
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel6OBBase12CastAndClearINS_5OBMolEEEPT_b
        - Src:             'src/formats/exyzformat.cpp:119,28'
          Dst:             _ZNK9OpenBabel12OBConversion11GetInStreamEv
        - Src:             'src/formats/exyzformat.cpp:121,32'
          Dst:             _ZNK9OpenBabel12OBConversion8GetTitleEv
        - Src:             'src/formats/exyzformat.cpp:135,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:140,9'
          Dst:             __isoc99_sscanf
        - Src:             'src/formats/exyzformat.cpp:142,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:147,9'
          Dst:             _ZN9OpenBabel5OBMol12ReserveAtomsEi
        - Src:             'src/formats/exyzformat.cpp:154,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:162,5'
          Dst:             _ZN9OpenBabel4TrimERNSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEE
        - Src:             'src/formats/exyzformat.cpp:166,11'
          Dst:             _ZN9OpenBabel5OBMol8SetTitleERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/exyzformat.cpp:197,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:200,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/exyzformat.cpp:209,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:220,29'
          Dst:             _ZN9OpenBabel5OBMol7NewAtomEv
        - Src:             'src/formats/exyzformat.cpp:222,25'
          Dst:             _ZN9OpenBabel10OBElements12GetAtomicNumEPKc
        - Src:             'src/formats/exyzformat.cpp:231,15'
          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/exyzformat.cpp:228,23'
          Dst:             atoi
        - Src:             'src/formats/exyzformat.cpp:231,15'
          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/exyzformat.cpp:233,17'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/exyzformat.cpp:237,20'
          Dst:             strtod
        - Src:             'src/formats/exyzformat.cpp:246,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:249,20'
          Dst:             strtod
        - Src:             'src/formats/exyzformat.cpp:258,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:261,20'
          Dst:             strtod
        - Src:             'src/formats/exyzformat.cpp:270,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:273,15'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
        - Src:             'src/formats/exyzformat.cpp:279,29'
          Dst:             strtod
        - Src:             'src/formats/exyzformat.cpp:281,21'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/formats/exyzformat.cpp:289,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:293,40'
          Dst:             _ZN9OpenBabel10OBUnitCellC2Ev
        - Src:             'src/formats/exyzformat.cpp:294,19'
          Dst:             _ZN9OpenBabel9matrix3x3C2Ev
        - Src:             'src/formats/exyzformat.cpp:300,28'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:303,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/exyzformat.cpp:309,28'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:314,24'
          Dst:             strtod
        - Src:             'src/formats/exyzformat.cpp:323,28'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:326,24'
          Dst:             strtod
        - Src:             'src/formats/exyzformat.cpp:335,28'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:338,24'
          Dst:             strtod
        - Src:             'src/formats/exyzformat.cpp:347,28'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:350,40'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/exyzformat.cpp:350,28'
          Dst:             _ZN9OpenBabel9matrix3x36SetRowEiRKNS_7vector3E
        - Src:             'src/formats/exyzformat.cpp:350,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/exyzformat.cpp:303,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/exyzformat.cpp:314,24'
          Dst:             strtod
        - Src:             'src/formats/exyzformat.cpp:326,24'
          Dst:             strtod
        - Src:             'src/formats/exyzformat.cpp:338,24'
          Dst:             strtod
        - Src:             'src/formats/exyzformat.cpp:350,40'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/exyzformat.cpp:350,28'
          Dst:             _ZN9OpenBabel9matrix3x36SetRowEiRKNS_7vector3E
        - Src:             'src/formats/exyzformat.cpp:350,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/exyzformat.cpp:303,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/exyzformat.cpp:314,24'
          Dst:             strtod
        - Src:             'src/formats/exyzformat.cpp:326,24'
          Dst:             strtod
        - Src:             'src/formats/exyzformat.cpp:338,24'
          Dst:             strtod
        - Src:             'src/formats/exyzformat.cpp:350,40'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/exyzformat.cpp:350,28'
          Dst:             _ZN9OpenBabel9matrix3x36SetRowEiRKNS_7vector3E
        - Src:             'src/formats/exyzformat.cpp:350,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/exyzformat.cpp:352,23'
          Dst:             _ZN9OpenBabel10OBUnitCell7SetDataENS_9matrix3x3E
        - Src:             'src/formats/exyzformat.cpp:350,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/exyzformat.cpp:352,9'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/exyzformat.cpp:358,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:352,9'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/exyzformat.cpp:361,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/exyzformat.cpp:367,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:372,20'
          Dst:             strtod
        - Src:             'src/formats/exyzformat.cpp:380,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:383,20'
          Dst:             strtod
        - Src:             'src/formats/exyzformat.cpp:391,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:394,20'
          Dst:             strtod
        - Src:             'src/formats/exyzformat.cpp:402,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/exyzformat.cpp:405,33'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/exyzformat.cpp:405,23'
          Dst:             _ZN9OpenBabel10OBUnitCell9SetOffsetENS_7vector3E
        - Src:             'src/formats/exyzformat.cpp:405,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/exyzformat.cpp:406,13'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/exyzformat.cpp:407,5'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/exyzformat.cpp:407,5'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/exyzformat.cpp:407,5'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/exyzformat.cpp:405,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/exyzformat.cpp:407,5'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/exyzformat.cpp:420,17'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/exyzformat.cpp:421,11'
          Dst:             _ZN9OpenBabel5OBMol14ConnectTheDotsEv
        - Src:             'src/formats/exyzformat.cpp:422,17'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/exyzformat.cpp:422,66'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/exyzformat.cpp:423,11'
          Dst:             _ZN9OpenBabel5OBMol18PerceiveBondOrdersEv
    - functionName:    _ZN9OpenBabel10EXYZFormat13WriteMoleculeEPNS_6OBBaseEPNS_12OBConversionE
      functionSourceFile: '/src/openbabel/src/formats/exyzformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 433
      functionLinenumberEnd: 493
      functionDepth:   0
      returnType:      bool
      argCount:        3
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         271
      ICount:          1179
      EdgeCount:       400
      CyclomaticComplexity: 131
      functionsReached:
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        - _ZN9OpenBabel10OBUnitCell13GetCellMatrixEv
        - _ZN9OpenBabel10OBUnitCell9GetOffsetEv
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - _ZN9OpenBabel6OBBase7GetDataEj
        - _ZN9OpenBabel6OBBase7HasDataEj
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel9matrix3x3D2Ev
        - _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel5OBMol9GetEnergyEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom4GetXEv
        - _ZNK9OpenBabel6OBAtom4GetYEv
        - _ZNK9OpenBabel6OBAtom4GetZEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel7vector34GetXEv
        - _ZNK9OpenBabel7vector34GetYEv
        - _ZNK9OpenBabel7vector34GetZEv
        - _ZNK9OpenBabel9matrix3x36GetRowEj
        - __dynamic_cast
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/exyzformat.cpp:434,19'
          Dst:             __dynamic_cast
        - Src:             'src/formats/exyzformat.cpp:439,28'
          Dst:             _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - Src:             'src/formats/exyzformat.cpp:446,16'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/exyzformat.cpp:447,18'
          Dst:             _ZNK9OpenBabel5OBMol9GetEnergyEv
        - Src:             'src/formats/exyzformat.cpp:448,45'
          Dst:             _ZNK9OpenBabel5OBMol9GetEnergyEv
        - Src:             'src/formats/exyzformat.cpp:452,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/exyzformat.cpp:452,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/exyzformat.cpp:452,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/exyzformat.cpp:455,55'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/exyzformat.cpp:455,16'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/exyzformat.cpp:457,31'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/exyzformat.cpp:457,66'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/exyzformat.cpp:458,34'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/exyzformat.cpp:464,14'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEj
        - Src:             'src/formats/exyzformat.cpp:475,43'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEj
        - Src:             'src/formats/exyzformat.cpp:476,40'
          Dst:             _ZN9OpenBabel10OBUnitCell13GetCellMatrixEv
        - Src:             'src/formats/exyzformat.cpp:477,30'
          Dst:             _ZN9OpenBabel10OBUnitCell9GetOffsetEv
        - Src:             'src/formats/exyzformat.cpp:480,40'
          Dst:             _ZNK9OpenBabel9matrix3x36GetRowEj
        - Src:             'src/formats/exyzformat.cpp:480,50'
          Dst:             _ZNK9OpenBabel7vector34GetXEv
        - Src:             'src/formats/exyzformat.cpp:480,94'
          Dst:             _ZNK9OpenBabel9matrix3x36GetRowEj
        - Src:             'src/formats/exyzformat.cpp:480,104'
          Dst:             _ZNK9OpenBabel7vector34GetYEv
        - Src:             'src/formats/exyzformat.cpp:481,43'
          Dst:             _ZNK9OpenBabel9matrix3x36GetRowEj
        - Src:             'src/formats/exyzformat.cpp:481,53'
          Dst:             _ZNK9OpenBabel7vector34GetZEv
        - Src:             'src/formats/exyzformat.cpp:478,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/exyzformat.cpp:478,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/exyzformat.cpp:478,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/exyzformat.cpp:483,40'
          Dst:             _ZNK9OpenBabel9matrix3x36GetRowEj
        - Src:             'src/formats/exyzformat.cpp:483,50'
          Dst:             _ZNK9OpenBabel7vector34GetXEv
        - Src:             'src/formats/exyzformat.cpp:483,94'
          Dst:             _ZNK9OpenBabel9matrix3x36GetRowEj
        - Src:             'src/formats/exyzformat.cpp:483,104'
          Dst:             _ZNK9OpenBabel7vector34GetYEv
        - Src:             'src/formats/exyzformat.cpp:484,43'
          Dst:             _ZNK9OpenBabel9matrix3x36GetRowEj
        - Src:             'src/formats/exyzformat.cpp:484,53'
          Dst:             _ZNK9OpenBabel7vector34GetZEv
        - Src:             'src/formats/exyzformat.cpp:482,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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        - _ZN9OpenBabel5OBMol10FindAnglesEv
        - _ZN9OpenBabel5OBMol12FindTorsionsEv
        - _ZN9OpenBabel5OBMol14ConnectTheDotsEv
        - _ZN9OpenBabel5OBMol8SeparateEi
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZN9OpenBabel7vector31xEv
        - _ZN9OpenBabel7vector31yEv
        - _ZN9OpenBabel7vector31zEv
        - _ZN9OpenBabel7vector33SetEddd
        - _ZN9OpenBabel7vector34SetXEd
        - _ZN9OpenBabel7vector34SetYEd
        - _ZN9OpenBabel7vector34SetZEd
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - _ZNK9OpenBabel14OBMolAngleItercvbEv
        - _ZNK9OpenBabel14OBMolAngleIterdeEv
        - _ZNK9OpenBabel16OBMolTorsionItercvbEv
        - _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel5OBMol8NumBondsEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom13GetAtomicMassEv
        - _ZNK9OpenBabel6OBAtom1xEv
        - _ZNK9OpenBabel6OBAtom1yEv
        - _ZNK9OpenBabel6OBAtom1zEv
        - _ZNK9OpenBabel6OBAtom4GetXEv
        - _ZNK9OpenBabel6OBAtom4GetYEv
        - _ZNK9OpenBabel6OBAtom4GetZEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - __dynamic_cast
        - atof
        - snprintf
        - strcmp
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/lmpdatformat.cpp:80,19'
          Dst:             __dynamic_cast
        - Src:             'src/formats/lmpdatformat.cpp:85,28'
          Dst:             _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - Src:             'src/formats/lmpdatformat.cpp:100,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/lmpdatformat.cpp:100,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/lmpdatformat.cpp:100,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/lmpdatformat.cpp:102,19'
          Dst:             _ZNK9OpenBabel6OBAtom13GetAtomicMassEv
        - Src:             'src/formats/lmpdatformat.cpp:103,41'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:103,13'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:117,9'
          Dst:             _ZN9OpenBabel5OBMol14ConnectTheDotsEv
        - Src:             'src/formats/lmpdatformat.cpp:120,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/formats/lmpdatformat.cpp:120,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/lmpdatformat.cpp:120,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/lmpdatformat.cpp:122,14'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/formats/lmpdatformat.cpp:123,14'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/formats/lmpdatformat.cpp:127,12'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:127,32'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:131,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:131,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:132,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:132,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:129,7'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:138,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:138,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:139,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:139,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:136,7'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:153,9'
          Dst:             _ZN9OpenBabel5OBMol10FindAnglesEv
        - Src:             'src/formats/lmpdatformat.cpp:157,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterC2ERNS_5OBMolE
        - Src:             'src/formats/lmpdatformat.cpp:157,5'
          Dst:             _ZNK9OpenBabel14OBMolAngleItercvbEv
        - Src:             'src/formats/lmpdatformat.cpp:157,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/formats/lmpdatformat.cpp:160,23'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/formats/lmpdatformat.cpp:160,14'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/lmpdatformat.cpp:161,23'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/formats/lmpdatformat.cpp:161,14'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/lmpdatformat.cpp:162,23'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/formats/lmpdatformat.cpp:162,14'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/lmpdatformat.cpp:166,12'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:166,32'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:170,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:170,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:171,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:171,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:172,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:172,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:168,7'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:178,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:178,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:179,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:179,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:180,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:180,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:176,7'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:157,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterppEv
        - Src:             'src/formats/lmpdatformat.cpp:157,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/formats/lmpdatformat.cpp:193,9'
          Dst:             _ZN9OpenBabel5OBMol12FindTorsionsEv
        - Src:             'src/formats/lmpdatformat.cpp:197,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterC2ERNS_5OBMolE
        - Src:             'src/formats/lmpdatformat.cpp:197,5'
          Dst:             _ZNK9OpenBabel16OBMolTorsionItercvbEv
        - Src:             'src/formats/lmpdatformat.cpp:197,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/formats/lmpdatformat.cpp:200,23'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/formats/lmpdatformat.cpp:200,14'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/lmpdatformat.cpp:201,23'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/formats/lmpdatformat.cpp:201,14'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/lmpdatformat.cpp:202,23'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/formats/lmpdatformat.cpp:202,14'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/lmpdatformat.cpp:203,23'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/formats/lmpdatformat.cpp:203,14'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/lmpdatformat.cpp:206,12'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:206,32'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:210,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:210,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:211,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:211,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:212,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:212,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:213,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:213,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:208,7'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:219,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:219,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:220,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:220,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:221,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:221,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:222,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:222,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:217,7'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:197,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterppEv
        - Src:             'src/formats/lmpdatformat.cpp:197,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/formats/lmpdatformat.cpp:235,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/lmpdatformat.cpp:235,18'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/lmpdatformat.cpp:236,10'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/formats/lmpdatformat.cpp:237,10'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/formats/lmpdatformat.cpp:238,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/lmpdatformat.cpp:238,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/lmpdatformat.cpp:238,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/lmpdatformat.cpp:258,32'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/lmpdatformat.cpp:240,16'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/formats/lmpdatformat.cpp:240,27'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/formats/lmpdatformat.cpp:241,26'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/formats/lmpdatformat.cpp:241,18'
          Dst:             _ZN9OpenBabel7vector34SetXEd
        - Src:             'src/formats/lmpdatformat.cpp:242,16'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/formats/lmpdatformat.cpp:242,27'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/formats/lmpdatformat.cpp:243,26'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/formats/lmpdatformat.cpp:243,18'
          Dst:             _ZN9OpenBabel7vector34SetYEd
        - Src:             'src/formats/lmpdatformat.cpp:244,16'
          Dst:             _ZNK9OpenBabel6OBAtom1zEv
        - Src:             'src/formats/lmpdatformat.cpp:244,27'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/formats/lmpdatformat.cpp:245,26'
          Dst:             _ZNK9OpenBabel6OBAtom1zEv
        - Src:             'src/formats/lmpdatformat.cpp:245,18'
          Dst:             _ZN9OpenBabel7vector34SetZEd
        - Src:             'src/formats/lmpdatformat.cpp:247,16'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/formats/lmpdatformat.cpp:247,27'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/formats/lmpdatformat.cpp:248,26'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/formats/lmpdatformat.cpp:248,18'
          Dst:             _ZN9OpenBabel7vector34SetXEd
        - Src:             'src/formats/lmpdatformat.cpp:249,16'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/formats/lmpdatformat.cpp:249,27'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/formats/lmpdatformat.cpp:250,26'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/formats/lmpdatformat.cpp:250,18'
          Dst:             _ZN9OpenBabel7vector34SetYEd
        - Src:             'src/formats/lmpdatformat.cpp:251,16'
          Dst:             _ZNK9OpenBabel6OBAtom1zEv
        - Src:             'src/formats/lmpdatformat.cpp:251,27'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/formats/lmpdatformat.cpp:252,26'
          Dst:             _ZNK9OpenBabel6OBAtom1zEv
        - Src:             'src/formats/lmpdatformat.cpp:252,18'
          Dst:             _ZN9OpenBabel7vector34SetZEd
        - Src:             'src/formats/lmpdatformat.cpp:263,11'
          Dst:             atof
        - Src:             'src/formats/lmpdatformat.cpp:270,16'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/formats/lmpdatformat.cpp:270,39'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/formats/lmpdatformat.cpp:271,16'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/formats/lmpdatformat.cpp:271,39'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/formats/lmpdatformat.cpp:272,16'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/formats/lmpdatformat.cpp:272,39'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/formats/lmpdatformat.cpp:273,16'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/formats/lmpdatformat.cpp:273,39'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/formats/lmpdatformat.cpp:274,16'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/formats/lmpdatformat.cpp:274,39'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/formats/lmpdatformat.cpp:275,16'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/formats/lmpdatformat.cpp:275,39'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/formats/lmpdatformat.cpp:281,5'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:292,16'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/lmpdatformat.cpp:293,16'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/formats/lmpdatformat.cpp:318,40'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/lmpdatformat.cpp:324,10'
          Dst:             strcmp
        - Src:             'src/formats/lmpdatformat.cpp:331,15'
          Dst:             strcmp
        - Src:             'src/formats/lmpdatformat.cpp:354,14'
          Dst:             _ZN9OpenBabel5OBMol8SeparateEi
        - Src:             'src/formats/lmpdatformat.cpp:359,5'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:365,6'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/lmpdatformat.cpp:365,6'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/lmpdatformat.cpp:365,6'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/lmpdatformat.cpp:370,44'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:370,16'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:375,15'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/lmpdatformat.cpp:376,15'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/lmpdatformat.cpp:377,15'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/lmpdatformat.cpp:371,7'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:389,5'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:393,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/formats/lmpdatformat.cpp:393,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/lmpdatformat.cpp:393,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/lmpdatformat.cpp:396,16'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/formats/lmpdatformat.cpp:397,16'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/formats/lmpdatformat.cpp:400,12'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:400,32'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:404,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:404,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:405,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:405,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:402,7'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:410,15'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:411,15'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:406,7'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:418,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:418,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:419,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:419,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:416,7'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:424,15'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:425,15'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:420,7'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:437,5'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:441,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterC2ERNS_5OBMolE
        - Src:             'src/formats/lmpdatformat.cpp:441,5'
          Dst:             _ZNK9OpenBabel14OBMolAngleItercvbEv
        - Src:             'src/formats/lmpdatformat.cpp:441,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/formats/lmpdatformat.cpp:444,23'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/formats/lmpdatformat.cpp:444,14'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/lmpdatformat.cpp:445,23'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/formats/lmpdatformat.cpp:445,14'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/lmpdatformat.cpp:446,23'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/formats/lmpdatformat.cpp:446,14'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/lmpdatformat.cpp:450,12'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:450,32'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:454,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:454,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:455,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:455,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:456,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:456,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:452,7'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:461,12'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:462,12'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:463,12'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:457,7'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:470,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:470,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:471,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:471,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:472,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:472,9'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:468,7'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:477,12'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:478,12'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:479,12'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:473,7'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:441,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterppEv
        - Src:             'src/formats/lmpdatformat.cpp:441,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/formats/lmpdatformat.cpp:493,6'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:498,6'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterC2ERNS_5OBMolE
        - Src:             'src/formats/lmpdatformat.cpp:498,6'
          Dst:             _ZNK9OpenBabel16OBMolTorsionItercvbEv
        - Src:             'src/formats/lmpdatformat.cpp:498,6'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/formats/lmpdatformat.cpp:501,24'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/formats/lmpdatformat.cpp:501,15'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/lmpdatformat.cpp:502,24'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/formats/lmpdatformat.cpp:502,15'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/lmpdatformat.cpp:503,24'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/formats/lmpdatformat.cpp:503,15'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/lmpdatformat.cpp:504,24'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/formats/lmpdatformat.cpp:504,15'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/lmpdatformat.cpp:507,13'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:507,33'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:511,35'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:511,10'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:512,35'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:512,10'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:513,35'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:513,10'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:514,35'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:514,10'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:509,8'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:519,13'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:520,13'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:521,13'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:522,13'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:515,8'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:529,35'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:529,10'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:530,35'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:530,10'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:531,35'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:531,10'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:532,35'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/lmpdatformat.cpp:532,10'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/lmpdatformat.cpp:527,8'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:537,13'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:538,13'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:539,13'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:540,13'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/lmpdatformat.cpp:533,8'
          Dst:             snprintf
        - Src:             'src/formats/lmpdatformat.cpp:498,6'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterppEv
        - Src:             'src/formats/lmpdatformat.cpp:498,6'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/formats/lmpdatformat.cpp:549,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/lmpdatformat.cpp:549,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/lmpdatformat.cpp:549,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/lmpdatformat.cpp:549,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel12LMPDATFormat11GetMIMETypeEv
      functionSourceFile: '/src/openbabel/src/formats/lmpdatformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 62
      functionLinenumberEnd: 62
      functionDepth:   0
      returnType:      'N/A'
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         1
      ICount:          4
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    0
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel12LMPDATFormat5FlagsEv
      functionSourceFile: '/src/openbabel/src/formats/lmpdatformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 65
      functionLinenumberEnd: 66
      functionDepth:   0
      returnType:      int
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         1
      ICount:          4
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    0
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZNK9OpenBabel16OBMolTorsionItercvbEv
      functionSourceFile: '/src/openbabel/include/openbabel/obiter.h'
      linkageType:     InternalLinkage
      functionLinenumber: 336
      functionLinenumberEnd: 336
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         3
      ICount:          19
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    6
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel16OBMolTorsionIterD2Ev
      functionSourceFile: '/src/openbabel/include/openbabel/obiter.h'
      linkageType:     InternalLinkage
      functionLinenumber: 332
      functionLinenumberEnd: 332
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
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      BBCount:         3
      ICount:          15
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    13
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZNK9OpenBabel16OBMolTorsionIterdeEv
      functionSourceFile: '/src/openbabel/include/openbabel/obiter.h'
      linkageType:     InternalLinkage
      functionLinenumber: 341
      functionLinenumberEnd: 341
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
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        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
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      ICount:          13
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    24
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _GLOBAL__sub_I_mmcifformat.cpp
      functionSourceFile: '/src/openbabel/src/formats/mmcifformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 0
      functionLinenumberEnd: 0
      functionDepth:   0
      returnType:      void
      argCount:        0
      argTypes:        []
      constantsTouched: []
      argNames:        []
      BBCount:         3
      ICount:          14
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
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        - __cxx_global_var_init.1
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/mmcifformat.cpp:0,0'
          Dst:             __cxx_global_var_init
        - Src:             'src/formats/mmcifformat.cpp:0,0'
          Dst:             __cxx_global_var_init.1
        - Src:             'src/formats/mmcifformat.cpp:0,0'
          Dst:             __cxx_global_var_init
    - functionName:    __cxx_global_var_init
      functionSourceFile: '/src/openbabel/src/formats/mmcifformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 0
      functionLinenumberEnd: 34
      functionDepth:   0
      returnType:      void
      argCount:        0
      argTypes:        []
      constantsTouched: []
      argNames:        []
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      ICount:          13
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      functionsReached:
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      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/mmcifformat.cpp:0,0'
          Dst:             __cxa_atexit
    - functionName:    __cxx_global_var_init.1
      functionSourceFile: '/src/openbabel/src/formats/mmcifformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 0
      functionLinenumberEnd: 80
      functionDepth:   0
      returnType:      void
      argCount:        0
      argTypes:        []
      constantsTouched: []
      argNames:        []
      BBCount:         3
      ICount:          12
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
        - _ZN9OpenBabel11mmCIFFormatC2Ev
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/mmcifformat.cpp:80,14'
          Dst:             _ZN9OpenBabel11mmCIFFormatC2Ev
    - functionName:    __cxx_global_var_init
      functionSourceFile: '/src/openbabel/src/formats/mmcifformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 0
      functionLinenumberEnd: 178
      functionDepth:   0
      returnType:      void
      argCount:        0
      argTypes:        []
      constantsTouched: []
      argNames:        []
      BBCount:         3
      ICount:          13
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
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      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/mmcifformat.cpp:0,0'
          Dst:             __cxa_atexit
    - functionName:    _ZN9OpenBabel11mmCIFFormatC2Ev
      functionSourceFile: '/src/openbabel/src/formats/mmcifformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 41
      functionLinenumberEnd: 51
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         19
      ICount:          81
      EdgeCount:       27
      CyclomaticComplexity: 10
      functionsReached:
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        - _ZN9OpenBabel12OBConversion19RegisterOptionParamENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEEPNS_8OBFormatEiNS0_11Option_typeE
        - _ZN9OpenBabel16OBMoleculeFormatC2Ev
        - _ZN9OpenBabel8OBPluginD2Ev
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/mmcifformat.cpp:40,4'
          Dst:             _ZN9OpenBabel16OBMoleculeFormatC2Ev
        - Src:             'src/formats/mmcifformat.cpp:42,6'
          Dst:             _ZN9OpenBabel12OBConversion14RegisterFormatEPKcPNS_8OBFormatES2_
        - Src:             'src/formats/mmcifformat.cpp:43,6'
          Dst:             _ZN9OpenBabel12OBConversion14RegisterFormatEPKcPNS_8OBFormatES2_
        - Src:             'src/formats/mmcifformat.cpp:47,6'
          Dst:             _ZN9OpenBabel12OBConversion19RegisterOptionParamENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEEPNS_8OBFormatEiNS0_11Option_typeE
        - Src:             'src/formats/mmcifformat.cpp:48,6'
          Dst:             _ZN9OpenBabel12OBConversion19RegisterOptionParamENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEEPNS_8OBFormatEiNS0_11Option_typeE
        - Src:             'src/formats/mmcifformat.cpp:49,6'
          Dst:             _ZN9OpenBabel12OBConversion19RegisterOptionParamENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEEPNS_8OBFormatEiNS0_11Option_typeE
        - Src:             'src/formats/mmcifformat.cpp:50,6'
          Dst:             _ZN9OpenBabel12OBConversion19RegisterOptionParamENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEEPNS_8OBFormatEiNS0_11Option_typeE
        - Src:             'src/formats/mmcifformat.cpp:51,4'
          Dst:             _ZN9OpenBabel8OBPluginD2Ev
    - functionName:    _ZN9OpenBabel11mmCIFFormatD0Ev
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      functionLinenumberEnd: 36
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         3
      ICount:          13
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
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      functionUses:    0
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel8OBPluginD2Ev
    - functionName:    _ZN9OpenBabel11mmCIFFormat11DescriptionEv
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      functionLinenumber: 54
      functionLinenumberEnd: 55
      functionDepth:   0
      returnType:      'N/A'
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         1
      ICount:          4
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    0
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel11mmCIFFormat12ReadMoleculeEPNS_6OBBaseEPNS_12OBConversionE
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      linkageType:     InternalLinkage
      functionLinenumber: 494
      functionLinenumberEnd: 1041
      functionDepth:   0
      returnType:      bool
      argCount:        3
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
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      BBCount:         582
      ICount:          2476
      EdgeCount:       1114
      CyclomaticComplexity: 534
      functionsReached:
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        - _ZN9OpenBabel10OBPairDataC2Ev
        - _ZN9OpenBabel10OBUnitCell13SetSpaceGroupENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
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        - _ZN9OpenBabel10OBUnitCell7SetDataEdddddd
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        - _ZN9OpenBabel10SpaceGroup4FindEPS0_
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        - _ZN9OpenBabel10SpaceGroupC2Ev
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        - _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
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        - _ZN9OpenBabel5OBMol10SetFormulaENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel5OBMol14ConnectTheDotsEv
        - _ZN9OpenBabel5OBMol14SetPeriodicMolEb
        - _ZN9OpenBabel5OBMol18PerceiveBondOrdersEv
        - _ZN9OpenBabel5OBMol18SetChainsPerceivedEb
        - _ZN9OpenBabel5OBMol7NewAtomEv
        - _ZN9OpenBabel5OBMol8EndAtomsEv
        - _ZN9OpenBabel5OBMol8SetTitleERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - _ZN9OpenBabel6OBAtom7SetTypeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - _ZN9OpenBabel6OBAtom9SetVectorEddd
        - _ZN9OpenBabel6OBBase12CastAndClearINS_5OBMolEEEPT_b
        - _ZN9OpenBabel6OBBase7GetDataEPKc
        - _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - _ZN9OpenBabel7vector3C2ERKS0_
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel8CIFLexer10lookup_catENS_8CIFTagID11CIFDataNameE
        - _ZN9OpenBabel8CIFLexer10lookup_tagERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel8CIFLexer10next_tokenERNS0_5TokenE
        - _ZN9OpenBabel8CIFLexer5TokenC2Ev
        - _ZN9OpenBabel8CIFLexer5TokenD2Ev
        - _ZN9OpenBabel8CIFLexer6backupEmc
        - _ZN9OpenBabel8CIFLexerC2EPNSt3__113basic_istreamIcNS1_11char_traitsIcEEEE
        - _ZN9OpenBabel9OBResidue11SetChainNumEj
        - _ZN9OpenBabel9OBResidue12SetSerialNumEPNS_6OBAtomEj
        - _ZN9OpenBabel9OBResidue6SetNumEj
        - _ZN9OpenBabel9OBResidue7AddAtomEPNS_6OBAtomE
        - _ZN9OpenBabel9OBResidue7SetNameERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel9OBResidue9SetAtomIDEPNS_6OBAtomERKNSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEE
        - _ZNK9OpenBabel10SpaceGroup13NextTransformERNSt3__121__list_const_iteratorIPNS_11transform3dEPvEE
        - _ZNK9OpenBabel10SpaceGroup14BeginTransformERNSt3__121__list_const_iteratorIPNS_11transform3dEPvEE
        - _ZNK9OpenBabel11transform3d16DescribeAsStringEv
        - _ZNK9OpenBabel12OBConversion11GetInStreamEv
        - _ZNK9OpenBabel5OBMol10GetResidueEi
        - _ZNK9OpenBabel5OBMol11NumResiduesEv
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel8CIFLexer5Token11as_unsignedEv
        - _ZNK9OpenBabel8CIFLexer5Token9as_numberEv
        - __dynamic_cast
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        - isalpha
        - strtoul
        - toupper
      functionUses:    0
      BranchProfiles:
        - Branch String:   'src/formats/mmcifformat.cpp:531,8'
          Branch Sides:    []
        - Branch String:   'src/formats/mmcifformat.cpp:578,10'
          Branch Sides:    []
        - Branch String:   'src/formats/mmcifformat.cpp:587,14'
          Branch Sides:    []
        - Branch String:   'src/formats/mmcifformat.cpp:636,14'
          Branch Sides:    []
        - Branch String:   'src/formats/mmcifformat.cpp:884,10'
          Branch Sides:    []
      Callsites:
        - Src:             'src/formats/mmcifformat.cpp:495,23'
          Dst:             _ZN9OpenBabel6OBBase12CastAndClearINS_5OBMolEEEPT_b
        - Src:             'src/formats/mmcifformat.cpp:499,26'
          Dst:             _ZNK9OpenBabel12OBConversion11GetInStreamEv
        - Src:             'src/formats/mmcifformat.cpp:499,13'
          Dst:             _ZN9OpenBabel8CIFLexerC2EPNSt3__113basic_istreamIcNS1_11char_traitsIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:500,20'
          Dst:             _ZN9OpenBabel8CIFLexer5TokenC2Ev
        - Src:             'src/formats/mmcifformat.cpp:508,10'
          Dst:             _ZN9OpenBabel5OBMol18SetChainsPerceivedEb
        - Src:             'src/formats/mmcifformat.cpp:510,30'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mmcifformat.cpp:513,17'
          Dst:             _ZN9OpenBabel8CIFLexer10next_tokenERNS0_5TokenE
        - Src:             'src/formats/mmcifformat.cpp:517,12'
          Dst:             _ZN9OpenBabel5OBMol8SetTitleERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:525,17'
          Dst:             _ZN9OpenBabel10SpaceGroupC2Ev
        - Src:             'src/formats/mmcifformat.cpp:528,49'
          Dst:             _ZN9OpenBabel8CIFLexer10next_tokenERNS0_5TokenE
        - Src:             'src/formats/mmcifformat.cpp:535,20'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mmcifformat.cpp:543,25'
          Dst:             _ZN9OpenBabel8CIFLexer10next_tokenERNS0_5TokenE
        - Src:             'src/formats/mmcifformat.cpp:552,20'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mmcifformat.cpp:0,0'
          Dst:             _ZN9OpenBabel8CIFLexer6backupEmc
        - Src:             'src/formats/mmcifformat.cpp:0,0'
          Dst:             _ZN9OpenBabel5OBMol8SetTitleERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:563,23'
          Dst:             _ZN9OpenBabel8CIFLexer10next_tokenERNS0_5TokenE
        - Src:             'src/formats/mmcifformat.cpp:570,40'
          Dst:             _ZN9OpenBabel8CIFLexer10next_tokenERNS0_5TokenE
        - Src:             'src/formats/mmcifformat.cpp:572,42'
          Dst:             _ZN9OpenBabel8CIFLexer10lookup_tagERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:575,22'
          Dst:             _ZN9OpenBabel8CIFLexer10lookup_catENS_8CIFTagID11CIFDataNameE
        - Src:             'src/formats/mmcifformat.cpp:633,30'
          Dst:             _ZN9OpenBabel5OBMol7NewAtomEv
        - Src:             'src/formats/mmcifformat.cpp:639,28'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/formats/mmcifformat.cpp:640,23'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:641,23'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:642,23'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/mmcifformat.cpp:643,22'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/mmcifformat.cpp:660,45'
          Dst:             isalpha
        - Src:             'src/formats/mmcifformat.cpp:666,22'
          Dst:             isalpha
        - Src:             'src/formats/mmcifformat.cpp:666,47'
          Dst:             isalpha
        - Src:             'src/formats/mmcifformat.cpp:670,27'
          Dst:             isalpha
        - Src:             'src/formats/mmcifformat.cpp:687,29'
          Dst:             atoi
        - Src:             'src/formats/mmcifformat.cpp:707,33'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mmcifformat.cpp:708,28'
          Dst:             _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - Src:             'src/formats/mmcifformat.cpp:721,29'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mmcifformat.cpp:724,28'
          Dst:             _ZN9OpenBabel10OBElements12GetAtomicNumEPKc
        - Src:             'src/formats/mmcifformat.cpp:731,22'
          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/mmcifformat.cpp:732,22'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:736,26'
          Dst:             _ZNK9OpenBabel8CIFLexer5Token9as_numberEv
        - Src:             'src/formats/mmcifformat.cpp:740,26'
          Dst:             _ZNK9OpenBabel8CIFLexer5Token9as_numberEv
        - Src:             'src/formats/mmcifformat.cpp:744,26'
          Dst:             _ZNK9OpenBabel8CIFLexer5Token9as_numberEv
        - Src:             'src/formats/mmcifformat.cpp:752,35'
          Dst:             toupper
        - Src:             'src/formats/mmcifformat.cpp:759,37'
          Dst:             _ZN9OpenBabel10OBElements12GetAtomicNumEPKc
        - Src:             'src/formats/mmcifformat.cpp:759,24'
          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/mmcifformat.cpp:760,24'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:783,36'
          Dst:             _ZNK9OpenBabel8CIFLexer5Token11as_unsignedEv
        - Src:             'src/formats/mmcifformat.cpp:787,52'
          Dst:             _ZN9OpenBabel14OBPairTemplateIdEC2Ev
        - Src:             'src/formats/mmcifformat.cpp:788,25'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:789,71'
          Dst:             _ZNK9OpenBabel8CIFLexer5Token9as_numberEv
        - Src:             'src/formats/mmcifformat.cpp:790,25'
          Dst:             _ZN9OpenBabel14OBPairTemplateIdE8SetValueEd
        - Src:             'src/formats/mmcifformat.cpp:791,25'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/mmcifformat.cpp:792,24'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/mmcifformat.cpp:802,22'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
        - Src:             'src/formats/mmcifformat.cpp:806,31'
          Dst:             _ZN9OpenBabel12CIFResidueIDC2Emm
        - Src:             'src/formats/mmcifformat.cpp:811,47'
          Dst:             _ZNK9OpenBabel5OBMol11NumResiduesEv
        - Src:             'src/formats/mmcifformat.cpp:812,33'
          Dst:             _ZN9OpenBabel5OBMol10NewResidueEv
        - Src:             'src/formats/mmcifformat.cpp:813,25'
          Dst:             _ZN9OpenBabel9OBResidue11SetChainNumEj
        - Src:             'src/formats/mmcifformat.cpp:814,25'
          Dst:             _ZN9OpenBabel9OBResidue6SetNumEj
        - Src:             'src/formats/mmcifformat.cpp:815,25'
          Dst:             _ZN9OpenBabel9OBResidue7SetNameERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:818,32'
          Dst:             _ZNK9OpenBabel5OBMol10GetResidueEi
        - Src:             'src/formats/mmcifformat.cpp:819,23'
          Dst:             _ZN9OpenBabel9OBResidue7AddAtomEPNS_6OBAtomE
        - Src:             'src/formats/mmcifformat.cpp:821,25'
          Dst:             _ZN9OpenBabel9OBResidue9SetAtomIDEPNS_6OBAtomERKNSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:822,44'
          Dst:             strtoul
        - Src:             'src/formats/mmcifformat.cpp:824,25'
          Dst:             _ZN9OpenBabel9OBResidue12SetSerialNumEPNS_6OBAtomEj
        - Src:             'src/formats/mmcifformat.cpp:828,35'
          Dst:             _ZN9OpenBabel8CIFLexer10next_tokenERNS0_5TokenE
        - Src:             'src/formats/mmcifformat.cpp:839,28'
          Dst:             _ZN9OpenBabel10SpaceGroup12AddTransformERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:843,35'
          Dst:             _ZN9OpenBabel8CIFLexer10next_tokenERNS0_5TokenE
        - Src:             'src/formats/mmcifformat.cpp:858,31'
          Dst:             _ZNK9OpenBabel8CIFLexer5Token9as_numberEv
        - Src:             'src/formats/mmcifformat.cpp:865,35'
          Dst:             _ZN9OpenBabel8CIFLexer10next_tokenERNS0_5TokenE
        - Src:             'src/formats/mmcifformat.cpp:874,35'
          Dst:             _ZN9OpenBabel8CIFLexer10next_tokenERNS0_5TokenE
        - Src:             'src/formats/mmcifformat.cpp:881,41'
          Dst:             _ZN9OpenBabel8CIFLexer10lookup_tagERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:883,16'
          Dst:             _ZN9OpenBabel8CIFLexer10next_tokenERNS0_5TokenE
        - Src:             'src/formats/mmcifformat.cpp:887,27'
          Dst:             _ZNK9OpenBabel8CIFLexer5Token9as_numberEv
        - Src:             'src/formats/mmcifformat.cpp:891,27'
          Dst:             _ZNK9OpenBabel8CIFLexer5Token9as_numberEv
        - Src:             'src/formats/mmcifformat.cpp:895,27'
          Dst:             _ZNK9OpenBabel8CIFLexer5Token9as_numberEv
        - Src:             'src/formats/mmcifformat.cpp:899,31'
          Dst:             _ZNK9OpenBabel8CIFLexer5Token9as_numberEv
        - Src:             'src/formats/mmcifformat.cpp:903,30'
          Dst:             _ZNK9OpenBabel8CIFLexer5Token9as_numberEv
        - Src:             'src/formats/mmcifformat.cpp:907,31'
          Dst:             _ZNK9OpenBabel8CIFLexer5Token9as_numberEv
        - Src:             'src/formats/mmcifformat.cpp:917,20'
          Dst:             _ZN9OpenBabel5OBMol8SetTitleERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:927,20'
          Dst:             _ZN9OpenBabel5OBMol10SetFormulaENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:933,30'
          Dst:             atoi
        - Src:             'src/formats/mmcifformat.cpp:933,24'
          Dst:             _ZN9OpenBabel10SpaceGroup5SetIdEj
        - Src:             'src/formats/mmcifformat.cpp:938,24'
          Dst:             _ZN9OpenBabel10SpaceGroup11SetHallNameEPKc
        - Src:             'src/formats/mmcifformat.cpp:943,24'
          Dst:             _ZN9OpenBabel10SpaceGroup9SetHMNameEPKc
        - Src:             'src/formats/mmcifformat.cpp:946,24'
          Dst:             _ZN9OpenBabel10SpaceGroup12AddTransformERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:959,16'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mmcifformat.cpp:963,35'
          Dst:             _ZN9OpenBabel10OBUnitCellC2Ev
        - Src:             'src/formats/mmcifformat.cpp:964,17'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/mmcifformat.cpp:965,17'
          Dst:             _ZN9OpenBabel10OBUnitCell7SetDataEdddddd
        - Src:             'src/formats/mmcifformat.cpp:970,17'
          Dst:             _ZN9OpenBabel10OBUnitCell13SetSpaceGroupENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:971,43'
          Dst:             _ZN9OpenBabel10SpaceGroup4FindEPS0_
        - Src:             'src/formats/mmcifformat.cpp:973,19'
          Dst:             _ZN9OpenBabel10OBUnitCell13SetSpaceGroupEPKNS_10SpaceGroupE
        - Src:             'src/formats/mmcifformat.cpp:976,16'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/mmcifformat.cpp:979,47'
          Dst:             _ZN9OpenBabel5OBMol10BeginAtomsEv
        - Src:             'src/formats/mmcifformat.cpp:979,76'
          Dst:             _ZN9OpenBabel5OBMol8EndAtomsEv
        - Src:             'src/formats/mmcifformat.cpp:986,67'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/formats/mmcifformat.cpp:986,61'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/mmcifformat.cpp:986,39'
          Dst:             _ZN9OpenBabel10OBUnitCell21FractionalToCartesianENS_7vector3E
        - Src:             'src/formats/mmcifformat.cpp:986,22'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/formats/mmcifformat.cpp:986,16'
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        - Src:             'src/formats/mmcifformat.cpp:413,16'
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          Dst:             __dynamic_cast
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          Dst:             _ZNK9OpenBabel12OBConversion12GetOutStreamEv
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        - Src:             'src/formats/pdbqtformat.cpp:848,7'
          Dst:             _ZTWN9OpenBabel9aromtyperE
        - Src:             'src/formats/pdbqtformat.cpp:848,17'
          Dst:             _ZN9OpenBabel15OBAromaticTyper19AssignAromaticFlagsERNS_5OBMolE
        - Src:             'src/formats/pdbqtformat.cpp:851,16'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/pdbqtformat.cpp:851,61'
          Dst:             _ZN9OpenBabel5OBMol14ConnectTheDotsEv
        - Src:             'src/formats/pdbqtformat.cpp:851,83'
          Dst:             _ZN9OpenBabel5OBMol18PerceiveBondOrdersEv
        - Src:             'src/formats/pdbqtformat.cpp:853,17'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
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        - Src:             'src/formats/pdbqtformat.cpp:947,62'
          Dst:             _ZN9OpenBabel5OBMol8EndBondsEv
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        - Src:             'src/formats/pdbqtformat.cpp:953,51'
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          Dst:             qsort
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          Dst:             snprintf
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        - Src:             'src/formats/pdbqtformat.cpp:968,34'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
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        - Src:             'src/formats/pdbqtformat.cpp:973,55'
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          Dst:             isspace
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          Dst:             isspace
        - Src:             'src/formats/pdbqtformat.cpp:982,55'
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        - Src:             'src/formats/pdbqtformat.cpp:975,23'
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        - Src:             'src/formats/pdbqtformat.cpp:977,74'
          Dst:             isspace
        - Src:             'src/formats/pdbqtformat.cpp:981,65'
          Dst:             isspace
        - Src:             'src/formats/pdbqtformat.cpp:982,55'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/pdbqtformat.cpp:981,15'
          Dst:             snprintf
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        - Src:             'src/formats/pdbqtformat.cpp:1008,7'
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          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
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        - Src:             'src/formats/pdbqtformat.cpp:1011,21'
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        - Src:             'src/formats/pdbqtformat.cpp:1012,16'
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        - Src:             'src/formats/pdbqtformat.cpp:1013,21'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
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        - Src:             'src/formats/pdbqtformat.cpp:1041,9'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
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          Dst:             _ZN9OpenBabelL13RotBond_countERNS_5OBMolE
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          Dst:             _ZN9OpenBabel6branchD2Ev
        - Src:             'src/formats/pdbqtformat.cpp:1060,7'
          Dst:             _ZN9OpenBabel6branchD2Ev
        - Src:             'src/formats/pdbqtformat.cpp:1062,46'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
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          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/pdbqtformat.cpp:1093,5'
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        - Src:             'src/formats/pdbqtformat.cpp:1093,5'
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      functionsReached:
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      Callsites:
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          Dst:             _ZNK9OpenBabel12OBConversion11GetInStreamEv
        - Src:             'src/formats/pdbqtformat.cpp:145,11'
          Dst:             strncmp
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        - Src:             'src/formats/pdbqtformat.cpp:800,22'
          Dst:             _ZN9OpenBabel16OBMolAtomDFSIterC2ERNS_5OBMolEi
        - Src:             'src/formats/pdbqtformat.cpp:801,11'
          Dst:             _ZN9OpenBabel5OBMolC2Ev
        - Src:             'src/formats/pdbqtformat.cpp:0,0'
          Dst:             _ZN9OpenBabel5OBMol25SetAutomaticPartialChargeEb
        - Src:             'src/formats/pdbqtformat.cpp:804,16'
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          Dst:             _ZN9OpenBabel5OBMol5ClearEv
        - Src:             'src/formats/pdbqtformat.cpp:812,3'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
        - Src:             'src/formats/pdbqtformat.cpp:812,3'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
        - Src:             'src/formats/pdbqtformat.cpp:812,3'
          Dst:             _ZN9OpenBabel16OBMolAtomDFSIterD2Ev
        - Src:             'src/formats/pdbqtformat.cpp:812,3'
          Dst:             _ZN9OpenBabel16OBMolAtomDFSIterD2Ev
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      Callsites:
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          Dst:             _ZN9OpenBabel5OBMol10BeginAtomsEv
        - Src:             'src/formats/pdbqtformat.cpp:479,56'
          Dst:             _ZN9OpenBabel5OBMol8EndAtomsEv
        - Src:             'src/formats/pdbqtformat.cpp:489,16'
          Dst:             _ZN9OpenBabel5OBMol23DeleteNonPolarHydrogensEv
        - Src:             'src/formats/pdbqtformat.cpp:481,19'
          Dst:             _ZN9OpenBabel6OBAtom18IsNonPolarHydrogenEv
        - Src:             'src/formats/pdbqtformat.cpp:484,33'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/formats/pdbqtformat.cpp:485,28'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/pdbqtformat.cpp:485,51'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/formats/pdbqtformat.cpp:486,17'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/pdbqtformat.cpp:486,40'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/formats/pdbqtformat.cpp:479,56'
          Dst:             _ZN9OpenBabel5OBMol8EndAtomsEv
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        - Src:             'src/formats/pdbqtformat.cpp:679,54'
          Dst:             _ZN9OpenBabel5OBMol8EndBondsEv
        - Src:             'src/formats/pdbqtformat.cpp:681,11'
          Dst:             _ZN9OpenBabelL15IsRotBond_PDBQTEPNS_6OBBondE
        - Src:             'src/formats/pdbqtformat.cpp:679,54'
          Dst:             _ZN9OpenBabel5OBMol8EndBondsEv
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      argCount:        1
      argTypes:
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      constantsTouched: []
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      ICount:          13
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      functionsReached: []
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      argTypes:
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      constantsTouched: []
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      ICount:          20
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
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      ICount:          39
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      functionsReached:
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          Dst:             _ZNK9OpenBabel5OBMol11NumResiduesEv
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        - Src:             'src/formats/pdbqtformat.cpp:1273,3'
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        - Src:             'src/formats/pdbqtformat.cpp:1273,3'
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        - Src:             'src/formats/pqrformat.cpp:462,5'
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/pqrformat.cpp:473,21'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/pqrformat.cpp:474,16'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/pqrformat.cpp:477,21'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/pqrformat.cpp:482,14'
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        - Src:             'src/formats/pqrformat.cpp:484,14'
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/pqrformat.cpp:496,20'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/pqrformat.cpp:497,28'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/pqrformat.cpp:497,9'
          Dst:             strncpy
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          Dst:             toupper
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        - Src:             'src/formats/pqrformat.cpp:510,26'
          Dst:             _ZN9OpenBabel6OBAtom10GetResidueEv
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          Dst:             _ZNK9OpenBabel9OBResidue9IsHetAtomEPNS_6OBAtomE
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          Dst:             _ZNK9OpenBabel9OBResidue7GetNameEv
        - Src:             'src/formats/pqrformat.cpp:513,13'
          Dst:             snprintf
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          Dst:             _ZNK9OpenBabel9OBResidue9GetAtomIDEPNS_6OBAtomE
        - Src:             'src/formats/pqrformat.cpp:514,13'
          Dst:             snprintf
        - Src:             'src/formats/pqrformat.cpp:515,30'
          Dst:             _ZNK9OpenBabel9OBResidue8GetChainEv
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/pqrformat.cpp:518,24'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
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        - Src:             'src/formats/pqrformat.cpp:523,21'
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          Dst:             _ZN9OpenBabel9OBResidue6GetNumEv
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          Dst:             snprintf
        - Src:             'src/formats/pqrformat.cpp:539,13'
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        - Src:             'src/formats/pqrformat.cpp:544,52'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/pqrformat.cpp:544,24'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/pqrformat.cpp:553,24'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/pqrformat.cpp:554,24'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/pqrformat.cpp:555,24'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/pqrformat.cpp:556,24'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/formats/pqrformat.cpp:557,24'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/formats/pqrformat.cpp:558,19'
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          Dst:             _ZN9OpenBabel10OBElements9GetVdwRadEj
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/pqrformat.cpp:566,26'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/pqrformat.cpp:568,20'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/pqrformat.cpp:569,19'
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          Dst:             snprintf
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          Dst:             snprintf
        - Src:             'src/formats/pqrformat.cpp:584,15'
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          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/formats/pqrformat.cpp:566,26'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/pqrformat.cpp:600,59'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/pqrformat.cpp:600,74'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
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          Dst:             snprintf
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        - Src:             'src/formats/pqrformat.cpp:609,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      BranchProfiles:  []
      Callsites:
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        - Src:             'src/formats/pqrformat.cpp:88,13'
          Dst:             strncmp
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      functionsReached:
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      functionUses:    0
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel5OBMol8SetTitleERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
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          Dst:             strtod
        - Src:             'src/formats/tinkerformat.cpp:168,13'
          Dst:             strtod
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          Dst:             strtod
        - Src:             'src/formats/tinkerformat.cpp:172,26'
          Dst:             strtol
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          Dst:             _ZN9OpenBabel5OBMol7NewAtomEv
        - Src:             'src/formats/tinkerformat.cpp:176,15'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
        - Src:             'src/formats/tinkerformat.cpp:179,28'
          Dst:             _ZN9OpenBabel10OBElements12GetAtomicNumEPKc
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          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/tinkerformat.cpp:182,34'
          Dst:             _ZN9OpenBabel14OBPairTemplateIiEC2Ev
        - Src:             'src/formats/tinkerformat.cpp:183,14'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/tinkerformat.cpp:184,14'
          Dst:             _ZN9OpenBabel14OBPairTemplateIiE8SetValueEi
        - Src:             'src/formats/tinkerformat.cpp:185,14'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/tinkerformat.cpp:186,15'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/tinkerformat.cpp:191,24'
          Dst:             strtol
        - Src:             'src/formats/tinkerformat.cpp:193,33'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/tinkerformat.cpp:193,19'
          Dst:             _ZN9OpenBabel5OBMol7AddBondEiiiii
        - Src:             'src/formats/tinkerformat.cpp:197,17'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/tinkerformat.cpp:198,13'
          Dst:             _ZN9OpenBabel5OBMol18PerceiveBondOrdersEv
        - Src:             'src/formats/tinkerformat.cpp:211,11'
          Dst:             _ZN9OpenBabel5OBMol8SetTitleERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
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      functionSourceFile: '/src/openbabel/src/formats/tinkerformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 216
      functionLinenumberEnd: 305
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      returnType:      bool
      argCount:        3
      argTypes:
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        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
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      BBCount:         89
      ICount:          381
      EdgeCount:       177
      CyclomaticComplexity: 90
      functionsReached:
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        - _ZN9OpenBabel10SetMM3TypeEPNS_6OBAtomE
        - _ZN9OpenBabel11OBTypeTable11SetFromTypeEPKc
        - _ZN9OpenBabel11OBTypeTable9SetToTypeEPKc
        - _ZN9OpenBabel11OBTypeTable9TranslateERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERKS7_
        - _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - _ZN9OpenBabel12OBForceField12GetAtomTypesERNS_5OBMolE
        - _ZN9OpenBabel12OBForceField14FindForceFieldEPKc
        - _ZN9OpenBabel12OBForceField5SetupERNS_5OBMolE
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel4impl11MolGetAtomsEPKNS_5OBMolE
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZN9OpenBabel6OBBase7GetDataEPKc
        - _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom4GetXEv
        - _ZNK9OpenBabel6OBAtom4GetYEv
        - _ZNK9OpenBabel6OBAtom4GetZEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
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      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/tinkerformat.cpp:217,19'
          Dst:             __dynamic_cast
        - Src:             'src/formats/tinkerformat.cpp:222,28'
          Dst:             _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - Src:             'src/formats/tinkerformat.cpp:224,29'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/tinkerformat.cpp:225,28'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/tinkerformat.cpp:226,30'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/tinkerformat.cpp:231,24'
          Dst:             _ZN9OpenBabel12OBForceField14FindForceFieldEPKc
        - Src:             'src/formats/tinkerformat.cpp:232,32'
          Dst:             _ZN9OpenBabel12OBForceField5SetupERNS_5OBMolE
        - Src:             'src/formats/tinkerformat.cpp:233,23'
          Dst:             _ZN9OpenBabel12OBForceField12GetAtomTypesERNS_5OBMolE
        - Src:             'src/formats/tinkerformat.cpp:0,0'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/tinkerformat.cpp:0,0'
          Dst:             snprintf
        - Src:             'src/formats/tinkerformat.cpp:249,10'
          Dst:             _ZN9OpenBabel11OBTypeTable11SetFromTypeEPKc
        - Src:             'src/formats/tinkerformat.cpp:253,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsEPKNS_5OBMolE
        - Src:             'src/formats/tinkerformat.cpp:253,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/tinkerformat.cpp:253,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/tinkerformat.cpp:254,19'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/formats/tinkerformat.cpp:258,14'
          Dst:             _ZN9OpenBabel11OBTypeTable9SetToTypeEPKc
        - Src:             'src/formats/tinkerformat.cpp:259,14'
          Dst:             _ZN9OpenBabel11OBTypeTable9TranslateERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERKS7_
        - Src:             'src/formats/tinkerformat.cpp:264,58'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/tinkerformat.cpp:272,20'
          Dst:             _ZN9OpenBabel10SetMM3TypeEPNS_6OBAtomE
        - Src:             'src/formats/tinkerformat.cpp:276,37'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/tinkerformat.cpp:278,35'
          Dst:             __dynamic_cast
        - Src:             'src/formats/tinkerformat.cpp:288,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/tinkerformat.cpp:289,44'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/tinkerformat.cpp:289,16'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/tinkerformat.cpp:290,22'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/tinkerformat.cpp:291,22'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/tinkerformat.cpp:292,22'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/tinkerformat.cpp:287,7'
          Dst:             snprintf
        - Src:             'src/formats/tinkerformat.cpp:296,7'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/formats/tinkerformat.cpp:296,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/formats/tinkerformat.cpp:296,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/formats/tinkerformat.cpp:296,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/formats/tinkerformat.cpp:296,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/formats/tinkerformat.cpp:297,50'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/tinkerformat.cpp:297,9'
          Dst:             snprintf
        - Src:             'src/formats/tinkerformat.cpp:296,7'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/formats/tinkerformat.cpp:296,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
    - functionName:    _ZN9OpenBabel12TinkerFormat16SpecificationURLEv
      functionSourceFile: '/src/openbabel/src/formats/tinkerformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 60
      functionLinenumberEnd: 60
      functionDepth:   0
      returnType:      'N/A'
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         1
      ICount:          4
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    0
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel12TinkerFormat5FlagsEv
      functionSourceFile: '/src/openbabel/src/formats/tinkerformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 65
      functionLinenumberEnd: 66
      functionDepth:   0
      returnType:      int
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         1
      ICount:          4
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    0
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel12OBForceField14FindForceFieldEPKc
      functionSourceFile: '/src/openbabel/include/openbabel/forcefield.h'
      linkageType:     InternalLinkage
      functionLinenumber: 607
      functionLinenumberEnd: 608
      functionDepth:   0
      returnType:      'N/A'
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
        - ''
      BBCount:         3
      ICount:          12
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
        - _ZN9OpenBabel12OBForceField8FindTypeEPKc
      functionUses:    6
      BranchProfiles:  []
      Callsites:
        - Src:             'include/openbabel/forcefield.h:608,14'
          Dst:             _ZN9OpenBabel12OBForceField8FindTypeEPKc
    - functionName:    _ZN9OpenBabel10SetMM3TypeEPNS_6OBAtomE
      functionSourceFile: '/src/openbabel/src/formats/tinkerformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 308
      functionLinenumberEnd: 575
      functionDepth:   0
      returnType:      int
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         182
      ICount:          728
      EdgeCount:       239
      CyclomaticComplexity: 59
      functionsReached:
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom14HasBondOfOrderEj
        - _ZN9OpenBabel6OBAtom15IsAmideNitrogenEv
        - _ZN9OpenBabel6OBAtom16IsCarboxylOxygenEv
        - _ZN9OpenBabel6OBAtom17CountBondsOfOrderEj
        - _ZN9OpenBabel6OBAtom17HasAlphaBetaUnsatEb
        - _ZN9OpenBabel6OBAtom17IsPhosphateOxygenEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - _ZNK9OpenBabel6OBAtom16CountFreeOxygensEv
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - _ZNK9OpenBabel6OBAtom6GetHybEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
      functionUses:    1
      BranchProfiles:
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          Branch Sides:    []
        - Branch String:   'src/formats/tinkerformat.cpp:463,9'
          Branch Sides:    []
      Callsites:
        - Src:             'src/formats/tinkerformat.cpp:315,19'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/tinkerformat.cpp:317,17'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/tinkerformat.cpp:318,14'
          Dst:             _ZN9OpenBabel6OBAtom16IsCarboxylOxygenEv
        - Src:             'src/formats/tinkerformat.cpp:320,14'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/tinkerformat.cpp:322,14'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/tinkerformat.cpp:323,16'
          Dst:             _ZN9OpenBabel6OBAtom15IsAmideNitrogenEv
        - Src:             'src/formats/tinkerformat.cpp:325,16'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/formats/tinkerformat.cpp:329,14'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/tinkerformat.cpp:329,57'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/formats/tinkerformat.cpp:332,14'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/tinkerformat.cpp:333,16'
          Dst:             _ZN9OpenBabel6OBAtom17HasAlphaBetaUnsatEb
        - Src:             'src/formats/tinkerformat.cpp:347,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/formats/tinkerformat.cpp:352,17'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/formats/tinkerformat.cpp:353,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/formats/tinkerformat.cpp:355,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/formats/tinkerformat.cpp:356,21'
          Dst:             _ZNK9OpenBabel6OBAtom16CountFreeOxygensEv
        - Src:             'src/formats/tinkerformat.cpp:361,17'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/formats/tinkerformat.cpp:362,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/formats/tinkerformat.cpp:364,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/formats/tinkerformat.cpp:365,21'
          Dst:             _ZNK9OpenBabel6OBAtom16CountFreeOxygensEv
        - Src:             'src/formats/tinkerformat.cpp:371,17'
          Dst:             _ZN9OpenBabel6OBAtom17CountBondsOfOrderEj
        - Src:             'src/formats/tinkerformat.cpp:372,19'
          Dst:             _ZNK9OpenBabel6OBAtom16CountFreeOxygensEv
        - Src:             'src/formats/tinkerformat.cpp:377,17'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/tinkerformat.cpp:379,17'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/tinkerformat.cpp:382,17'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/formats/tinkerformat.cpp:384,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/formats/tinkerformat.cpp:385,19'
          Dst:             _ZNK9OpenBabel6OBAtom16CountFreeOxygensEv
        - Src:             'src/formats/tinkerformat.cpp:389,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/formats/tinkerformat.cpp:395,17'
          Dst:             _ZN9OpenBabel6OBAtom15IsAmideNitrogenEv
        - Src:             'src/formats/tinkerformat.cpp:397,17'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/tinkerformat.cpp:398,19'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/tinkerformat.cpp:400,19'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/formats/tinkerformat.cpp:402,19'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/formats/tinkerformat.cpp:406,17'
          Dst:             _ZNK9OpenBabel6OBAtom16CountFreeOxygensEv
        - Src:             'src/formats/tinkerformat.cpp:409,17'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/formats/tinkerformat.cpp:410,19'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/formats/tinkerformat.cpp:414,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/formats/tinkerformat.cpp:416,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/formats/tinkerformat.cpp:422,17'
          Dst:             _ZN9OpenBabel6OBAtom17IsPhosphateOxygenEv
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      BBCount:         182
      ICount:          833
      EdgeCount:       295
      CyclomaticComplexity: 115
      functionsReached:
        - _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - _ZN9OpenBabel13OBFFParameter5clearEv
        - _ZN9OpenBabel13OBFFParameterC2Ev
        - _ZN9OpenBabel13OBFFParameterD2Ev
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel8OBLocale13RestoreLocaleEv
        - _ZN9OpenBabel8OBLocale9SetLocaleEv
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - atof
        - atoi
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldgaff.cpp:1082,19'
          Dst:             _ZN9OpenBabel13OBFFParameterC2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1086,9'
          Dst:             _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1087,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefieldgaff.cpp:1092,14'
          Dst:             _ZN9OpenBabel8OBLocale9SetLocaleEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1097,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1098,19'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1100,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldgaff.cpp:1101,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldgaff.cpp:1109,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1110,19'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1113,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldgaff.cpp:1114,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldgaff.cpp:1121,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1122,19'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1126,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldgaff.cpp:1127,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldgaff.cpp:1136,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1137,19'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1142,35'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1143,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldgaff.cpp:1144,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldgaff.cpp:1145,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldgaff.cpp:1164,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1165,19'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1170,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldgaff.cpp:1171,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldgaff.cpp:1172,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldgaff.cpp:1179,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1180,19'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1183,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldgaff.cpp:1184,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldgaff.cpp:1199,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1200,19'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1202,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldgaff.cpp:1203,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldgaff.cpp:1212,14'
          Dst:             _ZN9OpenBabel8OBLocale13RestoreLocaleEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1215,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1215,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
    - functionName:    _ZN9OpenBabel16OBForceFieldGaff8SetTypesEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldgaff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1218
      functionLinenumberEnd: 1419
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         446
      ICount:          1777
      EdgeCount:       847
      CyclomaticComplexity: 403
      functionsReached:
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - _ZN9OpenBabel15OBSmartsPattern10GetMapListEv
        - _ZN9OpenBabel15OBSmartsPattern4InitERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel15OBSmartsPattern5MatchERNS_5OBMolEb
        - _ZN9OpenBabel15OBSmartsPatternC2Ev
        - _ZN9OpenBabel16OBForceFieldGaff33SetPartialChargesBeforeAtomTypingEv
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - _ZN9OpenBabel5OBMol21SetAtomTypesPerceivedEb
        - _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - _ZN9OpenBabel6OBAtom7SetTypeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZN9OpenBabel8OBBitVec5ClearEv
        - _ZN9OpenBabel8OBBitVec6ResizeEj
        - _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - _ZN9OpenBabel8OBBitVecC2Ev
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZN9OpenBabel8OBLocale13RestoreLocaleEv
        - _ZN9OpenBabel8OBLocale9SetLocaleEv
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBAtom8IsInRingEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel8OBBitVecixEi
        - snprintf
        - strcmp
        - strncmp
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldgaff.cpp:1225,14'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1228,5'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff33SetPartialChargesBeforeAtomTypingEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1229,10'
          Dst:             _ZN9OpenBabel5OBMol21SetAtomTypesPerceivedEb
        - Src:             'src/forcefields/forcefieldgaff.cpp:1233,9'
          Dst:             _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1234,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefieldgaff.cpp:1239,14'
          Dst:             _ZN9OpenBabel8OBLocale9SetLocaleEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1242,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1243,8'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1245,56'
          Dst:             _ZN9OpenBabel15OBSmartsPatternC2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1246,17'
          Dst:             _ZN9OpenBabel15OBSmartsPattern4InitERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:1249,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefieldgaff.cpp:1270,25'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1270,13'
          Dst:             _ZN9OpenBabel8OBBitVec6ResizeEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1256,21'
          Dst:             _ZN9OpenBabel15OBSmartsPattern5MatchERNS_5OBMolEb
        - Src:             'src/forcefields/forcefieldgaff.cpp:1257,28'
          Dst:             _ZN9OpenBabel15OBSmartsPattern10GetMapListEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1259,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1259,34'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:1271,13'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1272,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:1272,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1272,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1274,25'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1274,12'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1275,18'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1275,6'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1276,18'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1276,6'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1277,18'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1277,6'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1278,18'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1278,6'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1279,18'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1279,6'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1280,18'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1280,6'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1281,18'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1281,6'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1282,4'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldgaff.cpp:1282,4'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1282,4'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1283,16'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1284,16'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1285,21'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1285,11'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1285,51'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1285,41'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1285,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1285,73'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1285,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1285,103'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1286,19'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1287,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1287,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1287,25'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1287,86'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1287,99'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1287,76'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1288,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1288,8'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1291,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1291,13'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1295,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1295,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1296,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1296,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1298,21'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1298,11'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1298,51'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1298,41'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1298,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1298,73'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1298,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1298,103'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1299,19'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1300,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1300,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1300,25'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1300,86'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1300,99'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1300,76'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1301,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1301,8'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1304,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1304,13'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1308,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1308,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1309,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1309,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1311,21'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1311,11'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1311,51'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1311,41'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1311,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1311,73'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1311,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1311,103'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1312,19'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1313,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1313,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1313,25'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1313,86'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1313,99'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1313,76'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1314,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1314,8'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1317,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1317,13'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1321,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1321,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1322,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1322,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1324,21'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1324,11'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1324,51'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1324,41'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1324,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1324,73'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1324,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1324,103'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1325,19'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1326,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1326,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1326,25'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1326,86'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1326,99'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1326,76'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1327,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1327,8'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1330,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1330,13'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1334,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1334,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1335,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1335,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1337,21'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1337,11'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1337,51'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1337,41'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1337,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1337,73'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1337,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1337,103'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1338,19'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1339,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1339,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1339,25'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1339,86'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1339,99'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1339,76'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1340,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1340,8'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1343,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1343,13'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1347,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1347,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1348,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1348,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1350,21'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1350,11'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1350,51'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1350,41'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1350,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1350,73'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1350,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1350,103'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1351,19'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1352,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1352,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1352,25'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1352,86'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1352,99'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1352,76'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1353,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1353,8'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1356,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1356,13'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1360,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1360,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1361,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1361,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1363,21'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1363,11'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1363,51'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1363,41'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1363,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1363,73'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1363,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1363,103'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1364,19'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1365,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1365,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1365,25'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1365,86'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1365,99'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1365,76'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1366,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1366,8'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1369,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1369,13'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1373,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1373,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1374,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1374,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1379,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1379,15'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1393,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1394,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1396,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:1396,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1396,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1402,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1397,57'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1397,70'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1398,8'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1398,25'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1397,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1399,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1403,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1405,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:1405,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1405,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1406,53'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1406,66'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1406,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1407,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1416,14'
          Dst:             _ZN9OpenBabel8OBLocale13RestoreLocaleEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1419,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1419,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel12OBForceField16SetFormalChargesEv
      functionSourceFile: '/src/openbabel/include/openbabel/forcefield.h'
      linkageType:     InternalLinkage
      functionLinenumber: 653
      functionLinenumberEnd: 653
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         1
      ICount:          4
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    0
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel16OBForceFieldGaff17SetPartialChargesEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldgaff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1422
      functionLinenumberEnd: 1427
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         1
      ICount:          4
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    0
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel16OBForceFieldGaff17SetupCalculationsEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldgaff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 524
      functionLinenumberEnd: 1059
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         573
      ICount:          2327
      EdgeCount:       1073
      CyclomaticComplexity: 502
      functionsReached:
        - _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel12OBForceField9HasGroupsEv
        - _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - _ZN9OpenBabel13OBMolPairIterD2Ev
        - _ZN9OpenBabel13OBMolPairIterppEv
        - _ZN9OpenBabel14OBMolAngleIterC2ERNS_5OBMolE
        - _ZN9OpenBabel14OBMolAngleIterD2Ev
        - _ZN9OpenBabel14OBMolAngleIterppEv
        - _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - _ZN9OpenBabel16OBFFCalculation2D2Ev
        - _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - _ZN9OpenBabel16OBMolTorsionIterC2ERNS_5OBMolE
        - _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - _ZN9OpenBabel16OBMolTorsionIterppEv
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel22OBFFOOPCalculationGaffC2Ev
        - _ZN9OpenBabel22OBFFVDWCalculationGaffC2Ev
        - _ZN9OpenBabel23OBFFBondCalculationGaffC2Ev
        - _ZN9OpenBabel24OBFFAngleCalculationGaffC2Ev
        - _ZN9OpenBabel26OBFFTorsionCalculationGaffC2Ev
        - _ZN9OpenBabel32OBFFElectrostaticCalculationGaffC2Ev
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZN9OpenBabel6OBAtom9IsOneFourEPS0_
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZNK9OpenBabel13OBMolPairItercvbEv
        - _ZNK9OpenBabel13OBMolPairIterdeEv
        - _ZNK9OpenBabel14OBMolAngleItercvbEv
        - _ZNK9OpenBabel14OBMolAngleIterdeEv
        - _ZNK9OpenBabel16OBMolTorsionItercvbEv
        - _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - snprintf
        - sqrt
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldgaff.cpp:529,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:534,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:536,29'
          Dst:             _ZN9OpenBabel23OBFFBondCalculationGaffC2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:540,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:540,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:540,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:541,17'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:542,17'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:546,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:546,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:546,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:546,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:550,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:553,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:553,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:553,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:553,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:563,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:563,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:563,19'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:565,42'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:565,21'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:567,44'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:567,23'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:571,22'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:576,119'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:576,133'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:576,15'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:577,15'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:586,16'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:595,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:597,30'
          Dst:             _ZN9OpenBabel24OBFFAngleCalculationGaffC2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:601,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:601,5'
          Dst:             _ZNK9OpenBabel14OBMolAngleItercvbEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:601,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:602,25'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:602,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:603,25'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:603,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:604,25'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:604,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:607,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:607,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:607,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:607,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:607,116'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:607,103'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:611,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:614,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:614,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:614,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:614,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:615,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:615,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:626,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:626,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:626,63'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:626,19'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:628,42'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:628,56'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:628,21'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:630,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:630,53'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:630,23'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:632,46'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:632,25'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:636,25'
          Dst:             _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:641,125'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:641,139'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:641,153'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:641,17'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:642,17'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:652,17'
          Dst:             _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:601,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterppEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:601,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:661,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:663,32'
          Dst:             _ZN9OpenBabel26OBFFTorsionCalculationGaffC2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:667,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:667,5'
          Dst:             _ZNK9OpenBabel16OBMolTorsionItercvbEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:667,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:668,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:668,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:669,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:669,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:670,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:670,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:671,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:671,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:674,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:674,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:674,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:674,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:675,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:675,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:675,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:675,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:679,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:682,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:682,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:682,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:682,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:683,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:683,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:683,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:683,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:695,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:695,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:695,63'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:695,77'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:695,19'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:697,42'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:697,56'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:697,70'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:697,21'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:699,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:699,53'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:699,67'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:699,23'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:701,46'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:701,60'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:701,25'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:707,27'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:711,130'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:711,144'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:711,158'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:711,172'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:711,17'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:712,17'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:724,19'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:667,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterppEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:667,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:732,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:734,28'
          Dst:             _ZN9OpenBabel22OBFFOOPCalculationGaffC2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:738,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:738,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:738,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:745,7'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldgaff.cpp:745,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:745,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:745,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:745,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:745,7'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:745,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:759,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:759,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:759,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:759,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:760,31'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:760,18'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:760,70'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:760,57'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:764,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:767,35'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:767,23'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:767,75'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:767,63'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:768,35'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:768,23'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:768,75'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:768,63'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:775,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:775,52'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:775,66'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:775,80'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:775,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:789,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:789,52'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:789,66'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:789,80'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:789,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:803,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:803,52'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:803,66'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:803,80'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:803,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:817,43'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:817,57'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:817,71'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:817,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:831,43'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:831,57'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:831,71'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:831,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:845,43'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:845,57'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:845,71'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:845,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:859,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:859,62'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:859,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:873,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:873,62'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:873,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:887,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:887,62'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:887,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:0,0'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:907,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:909,28'
          Dst:             _ZN9OpenBabel22OBFFVDWCalculationGaffC2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:915,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:915,5'
          Dst:             _ZNK9OpenBabel13OBMolPairItercvbEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:915,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:916,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:916,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:917,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:917,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:920,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:920,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:920,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:920,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:925,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:928,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:928,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:928,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:928,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:932,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:932,37'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:932,97'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:932,85'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:934,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:934,37'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:934,97'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:934,85'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:942,37'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:942,21'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:948,121'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:948,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:949,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:956,37'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:956,21'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:962,121'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:962,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:963,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:975,34'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefieldgaff.cpp:978,14'
          Dst:             _ZN9OpenBabel6OBAtom9IsOneFourEPS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1002,15'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:915,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterppEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:915,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1011,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1013,38'
          Dst:             _ZN9OpenBabel32OBFFElectrostaticCalculationGaffC2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1017,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:1017,5'
          Dst:             _ZNK9OpenBabel13OBMolPairItercvbEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1017,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1059,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1059,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1059,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1059,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1059,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1059,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1018,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1018,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1019,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1019,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1022,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1022,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1022,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1022,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1027,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1030,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1030,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1030,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1030,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1034,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1034,37'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1034,97'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1034,85'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1036,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1036,37'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1036,97'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1036,85'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1044,45'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1044,69'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1051,16'
          Dst:             _ZN9OpenBabel6OBAtom9IsOneFourEPS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1054,17'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1017,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterppEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1017,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1059,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1059,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1059,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1059,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1059,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1059,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
    - functionName:    _ZN9OpenBabel16OBForceFieldGaff13SetupPointersEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldgaff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1062
      functionLinenumberEnd: 1074
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         33
      ICount:          171
      EdgeCount:       43
      CyclomaticComplexity: 12
      functionsReached: []
      functionUses:    0
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel12OBForceField11GetGradientEPNS_6OBAtomEi
      functionSourceFile: '/src/openbabel/include/openbabel/forcefield.h'
      linkageType:     InternalLinkage
      functionLinenumber: 892
      functionLinenumberEnd: 895
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         3
      ICount:          19
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
        - _ZN9OpenBabel7vector3C2EPd
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'include/openbabel/forcefield.h:893,32'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'include/openbabel/forcefield.h:894,14'
          Dst:             _ZN9OpenBabel7vector3C2EPd
    - functionName:    _ZN9OpenBabel16OBForceFieldGaff6EnergyEb
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldgaff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1447
      functionLinenumberEnd: 1476
      functionDepth:   0
      returnType:      double
      argCount:        2
      argTypes:
        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         12
      ICount:          89
      EdgeCount:       15
      CyclomaticComplexity: 5
      functionsReached:
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel16OBForceFieldGaff15E_ElectrostaticILb0EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff15E_ElectrostaticILb1EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff5E_OOPILb0EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff5E_OOPILb1EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff5E_VDWILb0EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff5E_VDWILb1EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff6E_BondILb0EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff6E_BondILb1EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff7E_AngleILb0EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff7E_AngleILb1EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff9E_TorsionILb0EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff9E_TorsionILb1EEEdv
        - snprintf
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldgaff.cpp:1452,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1456,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff6E_BondILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1457,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff7E_AngleILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1458,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff9E_TorsionILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1459,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff5E_OOPILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1460,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff5E_VDWILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1461,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15E_ElectrostaticILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1463,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff6E_BondILb0EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1464,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff7E_AngleILb0EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1465,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff9E_TorsionILb0EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1466,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff5E_OOPILb0EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1467,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff5E_VDWILb0EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1468,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15E_ElectrostaticILb0EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1472,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1473,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      functionLinenumberEnd: 171
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      ICount:          23
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
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        - _ZN9OpenBabel16OBForceFieldGaff6E_BondILb1EEEdv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel16OBForceFieldGaff6E_BondILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.h:171,45'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff6E_BondILb0EEEdv
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      ICount:          23
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      functionsReached:
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        - _ZN9OpenBabel16OBForceFieldGaff7E_AngleILb1EEEdv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel16OBForceFieldGaff7E_AngleILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.h:177,46'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff7E_AngleILb0EEEdv
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      functionLinenumberEnd: 940
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      ICount:          4
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      functionsReached: []
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      Callsites:       []
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      functionLinenumber: 182
      functionLinenumberEnd: 183
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      returnType:      double
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      argTypes:
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      argNames:
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      ICount:          23
      EdgeCount:       7
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      functionsReached:
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        - _ZN9OpenBabel16OBForceFieldGaff9E_TorsionILb1EEEdv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel16OBForceFieldGaff9E_TorsionILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.h:183,48'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff9E_TorsionILb0EEEdv
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      functionsReached:
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        - _ZN9OpenBabel16OBForceFieldGaff5E_OOPILb1EEEdv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel16OBForceFieldGaff5E_OOPILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.h:189,44'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff5E_OOPILb0EEEdv
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      ICount:          23
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      functionsReached:
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        - _ZN9OpenBabel16OBForceFieldGaff5E_VDWILb1EEEdv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel16OBForceFieldGaff5E_VDWILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.h:195,44'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff5E_VDWILb0EEEdv
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      functionLinenumberEnd: 201
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      returnType:      double
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      argTypes:
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      argNames:
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      ICount:          23
      EdgeCount:       7
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      functionsReached:
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        - _ZN9OpenBabel16OBForceFieldGaff15E_ElectrostaticILb1EEEdv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
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        - Src:             'src/forcefields/forcefieldgaff.h:201,54'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15E_ElectrostaticILb0EEEdv
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      argTypes:
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      constantsTouched: []
      argNames:
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      ICount:          4
      EdgeCount:       1
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      functionsReached: []
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      BranchProfiles:  []
      Callsites:       []
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      functionLinenumber: 1480
      functionLinenumberEnd: 1584
      functionDepth:   0
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      argCount:        1
      argTypes:
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      argNames:
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      ICount:          765
      EdgeCount:       190
      CyclomaticComplexity: 86
      functionsReached:
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        - _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
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        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
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        - _ZN9OpenBabel7vector31yEv
        - _ZN9OpenBabel7vector31zEv
        - _ZN9OpenBabel7vector33SetEddd
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        - _ZN9OpenBabel7vector3aSERKS0_
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        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1481,22'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1481,31'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1486,5'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1487,5'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1488,5'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1491,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:1491,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1491,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1584,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1584,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1584,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1492,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1495,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1495,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1495,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1497,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1498,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1498,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1498,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1500,122'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1500,140'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1500,153'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1500,166'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1501,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1501,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1501,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1501,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1501,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1501,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1500,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1502,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1505,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1505,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1505,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1508,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1509,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1509,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1509,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1511,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1511,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1511,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1512,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1512,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1512,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1512,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1512,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1512,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1511,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1513,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1515,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1515,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1515,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1519,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1519,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1519,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1522,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1523,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1523,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1523,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1525,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1525,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1525,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1526,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1526,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1526,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1526,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1526,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1526,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1525,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1527,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1528,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1528,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1528,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1532,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1532,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1532,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1535,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1536,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1536,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1536,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1538,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1538,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1538,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1539,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1539,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1539,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1539,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1539,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1539,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1538,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1540,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel7vector31zEv
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          Dst:             _ZN9OpenBabel7vector31zEv
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        - Src:             'src/forcefields/forcefieldgaff.cpp:1573,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
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          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
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          Dst:             _ZN9OpenBabel7vector31yEv
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          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1577,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1577,49'
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        - Src:             'src/forcefields/forcefieldgaff.cpp:1577,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1577,67'
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        - Src:             'src/forcefields/forcefieldgaff.cpp:1577,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1576,7'
          Dst:             snprintf
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1579,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1579,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1584,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1584,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1584,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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        - Src:             'src/forcefields/forcefieldgaff.cpp:456,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:457,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:458,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:466,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:469,19'
          Dst:             _ZN9OpenBabel32OBFFElectrostaticCalculationGaff7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldgaff.cpp:473,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:474,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:478,79'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:480,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:485,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:486,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:457,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:458,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:466,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:469,19'
          Dst:             _ZN9OpenBabel32OBFFElectrostaticCalculationGaff7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldgaff.cpp:478,79'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:478,98'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:478,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:480,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:485,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:486,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefieldgaff.cpp:439,13'
          Dst:             _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
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      Callsites:
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        - Src:             'include/openbabel/forcefield.h:1722,26'
          Dst:             _ZN9OpenBabel12OBForceField12VectorLengthEPd
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      EdgeCount:       11
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          Dst:             _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
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          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:389,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:390,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:398,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:401,19'
          Dst:             _ZN9OpenBabel22OBFFVDWCalculationGaff7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldgaff.cpp:405,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:406,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:410,72'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:410,91'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:410,9'
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        - Src:             'src/forcefields/forcefieldgaff.cpp:412,9'
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        - Src:             'src/forcefields/forcefieldgaff.cpp:418,7'
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        - Src:             'src/forcefields/forcefieldgaff.cpp:388,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:389,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:390,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:398,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZN9OpenBabel22OBFFVDWCalculationGaff7ComputeILb0EEEvv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:410,91'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:410,9'
          Dst:             snprintf
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:418,7'
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        - Src:             'src/forcefields/forcefieldgaff.cpp:360,13'
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          Dst:             _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
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          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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        - Src:             'src/forcefields/forcefieldgaff.cpp:317,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:318,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:319,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:324,19'
          Dst:             _ZN9OpenBabel22OBFFOOPCalculationGaff7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldgaff.cpp:328,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:329,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:330,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:331,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:335,105'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:335,124'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:336,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:336,44'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:335,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:337,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:342,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:343,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      BranchProfiles:  []
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        - Src:             'src/forcefields/forcefieldgaff.cpp:317,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:318,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:319,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:324,19'
          Dst:             _ZN9OpenBabel22OBFFOOPCalculationGaff7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldgaff.cpp:335,105'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:335,124'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:336,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:336,44'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:335,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:337,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:342,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:343,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      argTypes:
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      ICount:          65
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      CyclomaticComplexity: 4
      functionsReached:
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        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
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      BranchProfiles:  []
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          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - Src:             'src/forcefields/forcefieldgaff.cpp:297,13'
          Dst:             _ZN9OpenBabel12OBForceField13VectorTorsionEPdS1_S1_S1_
        - Src:             'src/forcefields/forcefieldgaff.cpp:302,27'
          Dst:             cos
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      functionsReached:
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        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - _ZN9OpenBabel12OBForceField23VectorTorsionDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
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      BranchProfiles:  []
      Callsites:
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        - Src:             'src/forcefields/forcefieldgaff.cpp:284,13'
          Dst:             _ZN9OpenBabel12OBForceField23VectorTorsionDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
        - Src:             'src/forcefields/forcefieldgaff.cpp:289,27'
          Dst:             sin
        - Src:             'src/forcefields/forcefieldgaff.cpp:292,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldgaff.cpp:293,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldgaff.cpp:294,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldgaff.cpp:295,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldgaff.cpp:302,27'
          Dst:             cos
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      functionLinenumberEnd: 245
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      argTypes:
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      ICount:          166
      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
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        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel26OBFFTorsionCalculationGaff7ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:215,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:216,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:217,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:222,19'
          Dst:             _ZN9OpenBabel26OBFFTorsionCalculationGaff7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldgaff.cpp:226,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:227,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:228,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:229,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:233,105'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:233,124'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:234,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:234,44'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:233,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:235,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:240,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:241,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      functionLinenumberEnd: 245
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      EdgeCount:       23
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:215,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:216,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:217,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:222,19'
          Dst:             _ZN9OpenBabel26OBFFTorsionCalculationGaff7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldgaff.cpp:233,105'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:233,124'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:234,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:234,44'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:233,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:235,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:240,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:241,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      functionLinenumberEnd: 205
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      argTypes:
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      ICount:          65
      EdgeCount:       11
      CyclomaticComplexity: 4
      functionsReached:
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        - cos
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      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldgaff.cpp:176,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - Src:             'src/forcefields/forcefieldgaff.cpp:195,13'
          Dst:             _ZN9OpenBabel12OBForceField13VectorTorsionEPdS1_S1_S1_
        - Src:             'src/forcefields/forcefieldgaff.cpp:200,27'
          Dst:             cos
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      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldgaff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 175
      functionLinenumberEnd: 205
      functionDepth:   0
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      argTypes:
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      CyclomaticComplexity: 4
      functionsReached:
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        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - _ZN9OpenBabel12OBForceField23VectorTorsionDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
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      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldgaff.cpp:176,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - Src:             'src/forcefields/forcefieldgaff.cpp:182,13'
          Dst:             _ZN9OpenBabel12OBForceField23VectorTorsionDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
        - Src:             'src/forcefields/forcefieldgaff.cpp:187,27'
          Dst:             sin
        - Src:             'src/forcefields/forcefieldgaff.cpp:190,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldgaff.cpp:191,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldgaff.cpp:192,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldgaff.cpp:193,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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          Dst:             cos
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        - Src:             'src/forcefields/forcefieldghemical.cpp:887,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldghemical.cpp:889,13'
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        - Src:             'src/forcefields/forcefieldghemical.cpp:891,13'
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        - Src:             'src/forcefields/forcefieldghemical.cpp:893,13'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldghemical.cpp:895,13'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldghemical.cpp:899,11'
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        - Src:             'src/forcefields/forcefieldghemical.cpp:900,19'
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        - Src:             'src/forcefields/forcefieldghemical.cpp:904,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldghemical.cpp:905,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldghemical.cpp:908,11'
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        - Src:             'src/forcefields/forcefieldghemical.cpp:909,19'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:915,30'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldghemical.cpp:916,30'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldghemical.cpp:917,13'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldghemical.cpp:919,18'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldghemical.cpp:923,13'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldghemical.cpp:925,18'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldghemical.cpp:927,18'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldghemical.cpp:929,18'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldghemical.cpp:933,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldghemical.cpp:934,19'
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        - Src:             'src/forcefields/forcefieldghemical.cpp:936,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldghemical.cpp:937,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldghemical.cpp:940,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldghemical.cpp:941,19'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
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        - Src:             'src/forcefields/forcefieldghemical.cpp:947,18'
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        - Src:             'src/forcefields/forcefieldghemical.cpp:949,35'
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      ICount:          550
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      Callsites:
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          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
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          Dst:             _ZN9OpenBabel6OBAtom7SetTypeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:1009,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1010,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1012,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
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        - Src:             'src/forcefields/forcefieldghemical.cpp:1018,7'
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1013,70'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1014,8'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1014,25'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1013,9'
          Dst:             snprintf
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        - Src:             'src/forcefields/forcefieldghemical.cpp:1019,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1021,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldghemical.cpp:1021,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1021,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1022,66'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1022,9'
          Dst:             snprintf
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1038,14'
          Dst:             _ZN9OpenBabel8OBLocale13RestoreLocaleEv
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      functionLinenumberEnd: 1075
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      argTypes:
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      constantsTouched: []
      argNames:
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      ICount:          258
      EdgeCount:       50
      CyclomaticComplexity: 7
      functionsReached:
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        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
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      BranchProfiles:  []
      Callsites:
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        - Src:             'src/forcefields/forcefieldghemical.cpp:1049,10'
          Dst:             _ZN9OpenBabel5OBMol26SetPartialChargesPerceivedEb
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1052,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1055,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
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          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1056,17'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1057,17'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1058,24'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1060,20'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1061,20'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1065,34'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1065,14'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1066,34'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1068,34'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1068,14'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1069,34'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
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      functionLinenumber: 424
      functionLinenumberEnd: 843
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         479
      ICount:          1967
      EdgeCount:       909
      CyclomaticComplexity: 432
      functionsReached:
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        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel12OBForceField9HasGroupsEv
        - _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - _ZN9OpenBabel13OBMolPairIterD2Ev
        - _ZN9OpenBabel13OBMolPairIterppEv
        - _ZN9OpenBabel14OBMolAngleIterC2ERNS_5OBMolE
        - _ZN9OpenBabel14OBMolAngleIterD2Ev
        - _ZN9OpenBabel14OBMolAngleIterppEv
        - _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - _ZN9OpenBabel16OBFFCalculation2D2Ev
        - _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - _ZN9OpenBabel16OBMolTorsionIterC2ERNS_5OBMolE
        - _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - _ZN9OpenBabel16OBMolTorsionIterppEv
        - _ZN9OpenBabel20OBForceFieldGhemical20GetParameterGhemicalEiPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - _ZN9OpenBabel26OBFFVDWCalculationGhemicalC2Ev
        - _ZN9OpenBabel27OBFFBondCalculationGhemicalC2Ev
        - _ZN9OpenBabel28OBFFAngleCalculationGhemicalC2Ev
        - _ZN9OpenBabel30OBFFTorsionCalculationGhemicalC2Ev
        - _ZN9OpenBabel36OBFFElectrostaticCalculationGhemicalC2Ev
        - _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZN9OpenBabel6OBAtom9IsOneFourEPS0_
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZNK9OpenBabel13OBMolPairItercvbEv
        - _ZNK9OpenBabel13OBMolPairIterdeEv
        - _ZNK9OpenBabel14OBMolAngleItercvbEv
        - _ZNK9OpenBabel14OBMolAngleIterdeEv
        - _ZNK9OpenBabel16OBMolTorsionItercvbEv
        - _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - pow
        - snprintf
        - sqrt
      functionUses:    0
      BranchProfiles:
        - Branch String:   'src/forcefields/forcefieldghemical.cpp:649,7'
          Branch Sides:    []
      Callsites:
        - Src:             'src/forcefields/forcefieldghemical.cpp:429,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:434,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:436,33'
          Dst:             _ZN9OpenBabel27OBFFBondCalculationGhemicalC2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:441,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldghemical.cpp:441,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:441,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:442,17'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:443,17'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:446,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:446,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:446,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:446,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:450,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:453,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:453,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:453,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:453,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:460,24'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:461,17'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:468,53'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:468,67'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:468,19'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical20GetParameterGhemicalEiPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:470,63'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:470,21'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical20GetParameterGhemicalEiPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:472,65'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:472,23'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical20GetParameterGhemicalEiPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:476,22'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:481,119'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:481,133'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:481,15'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:482,15'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:491,16'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:500,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:502,34'
          Dst:             _ZN9OpenBabel28OBFFAngleCalculationGhemicalC2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:506,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldghemical.cpp:506,5'
          Dst:             _ZNK9OpenBabel14OBMolAngleItercvbEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:506,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:507,25'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:507,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:508,25'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:508,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:509,25'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:509,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:515,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:515,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:515,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:515,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:515,116'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:515,103'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:519,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:522,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:522,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:522,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:522,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:523,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:523,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:534,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:534,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:534,63'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:534,19'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:536,45'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:536,59'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:536,21'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:538,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:538,53'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:538,23'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:540,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:540,25'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:544,25'
          Dst:             _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:549,125'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:549,139'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:549,153'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:549,17'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:550,17'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:560,17'
          Dst:             _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:506,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterppEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:506,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:569,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:571,36'
          Dst:             _ZN9OpenBabel30OBFFTorsionCalculationGhemicalC2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:577,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldghemical.cpp:577,5'
          Dst:             _ZNK9OpenBabel16OBMolTorsionItercvbEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:577,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:578,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:578,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:579,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:579,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:580,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:580,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:581,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:581,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:587,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:587,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:587,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:587,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:588,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:588,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:588,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:588,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:592,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:595,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:595,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:595,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:595,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:596,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:596,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:596,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:596,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:603,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldghemical.cpp:606,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:607,15'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:616,56'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:616,70'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:616,84'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:616,98'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:616,19'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical20GetParameterGhemicalEiPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:618,66'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:618,80'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:618,94'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:618,21'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical20GetParameterGhemicalEiPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:620,60'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:620,74'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:620,88'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:620,23'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical20GetParameterGhemicalEiPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:622,70'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:622,84'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:622,25'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical20GetParameterGhemicalEiPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:631,27'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:635,130'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:635,144'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:635,158'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:635,172'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:635,17'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:636,17'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:682,19'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:577,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterppEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:577,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:690,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:692,32'
          Dst:             _ZN9OpenBabel26OBFFVDWCalculationGhemicalC2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:697,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldghemical.cpp:697,5'
          Dst:             _ZNK9OpenBabel13OBMolPairItercvbEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:697,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:698,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:698,16'
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        - Src:             'src/forcefields/forcefieldghemical.cpp:1175,22'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1175,31'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1180,5'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1181,5'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1182,5'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1185,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldghemical.cpp:1185,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1185,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1266,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1266,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1266,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1186,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1189,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:1189,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1189,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1191,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1192,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1192,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1192,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1194,122'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1194,140'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1194,153'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1194,166'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1195,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1195,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1195,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1195,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1195,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1195,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1194,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:1196,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1199,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:1199,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1199,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1202,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1203,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1203,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1203,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1205,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1205,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1205,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1206,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1206,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1206,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1206,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1206,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1206,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1205,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:1207,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1209,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1209,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1209,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1213,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:1213,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1213,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1216,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1217,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1217,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1217,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1219,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1219,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1219,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1220,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1220,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1220,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1220,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1220,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1220,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1219,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:1221,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1222,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1222,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1222,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1226,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:1226,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1226,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1229,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1230,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1230,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1230,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1232,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1232,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1232,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1233,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1233,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1233,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1233,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1233,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1233,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1232,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:1234,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1235,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1235,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1235,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1239,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:1239,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1239,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1242,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1243,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1243,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1243,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1245,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1245,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1245,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1246,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1246,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1246,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1246,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1246,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1246,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1245,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:1247,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1248,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1248,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1248,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1252,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:1252,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1252,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1255,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1256,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1256,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1256,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1258,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1258,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1258,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1259,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1259,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1259,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1259,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1259,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1259,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1258,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:1260,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1261,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1261,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1261,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1266,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1266,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1266,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel20OBForceFieldGhemical15E_ElectrostaticILb1EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldghemical.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 353
      functionLinenumberEnd: 393
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         23
      ICount:          162
      EdgeCount:       30
      CyclomaticComplexity: 9
      functionsReached:
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        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel36OBFFElectrostaticCalculationGhemical7ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldghemical.cpp:358,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:359,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:360,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:361,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:369,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:372,19'
          Dst:             _ZN9OpenBabel36OBFFElectrostaticCalculationGhemical7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldghemical.cpp:376,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldghemical.cpp:377,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldghemical.cpp:381,79'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:381,98'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:381,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:383,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:388,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:389,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel20OBForceFieldGhemical15E_ElectrostaticILb0EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldghemical.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 353
      functionLinenumberEnd: 393
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         23
      ICount:          150
      EdgeCount:       30
      CyclomaticComplexity: 9
      functionsReached:
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        - _ZN9OpenBabel36OBFFElectrostaticCalculationGhemical7ComputeILb0EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldghemical.cpp:358,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:359,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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        - Src:             'src/forcefields/forcefieldghemical.cpp:389,7'
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          Dst:             _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
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          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:292,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:293,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZN9OpenBabel26OBFFVDWCalculationGhemical7ComputeILb1EEEvv
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          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
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          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:313,9'
          Dst:             snprintf
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:320,7'
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        - Src:             'src/forcefields/forcefieldghemical.cpp:321,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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        - Src:             'src/forcefields/forcefieldghemical.cpp:291,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:292,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:293,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:304,19'
          Dst:             _ZN9OpenBabel26OBFFVDWCalculationGhemical7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldghemical.cpp:313,79'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:313,98'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:313,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:315,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:320,7'
          Dst:             snprintf
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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        - Src:             'src/forcefields/forcefieldghemical.cpp:264,13'
          Dst:             _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
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      functionsReached:
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        - Src:             'src/forcefields/forcefieldghemical.cpp:262,13'
          Dst:             _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
        - Src:             'src/forcefields/forcefieldghemical.cpp:278,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldghemical.cpp:279,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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        - Src:             'src/forcefields/forcefieldghemical.cpp:221,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:222,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:223,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:228,19'
          Dst:             _ZN9OpenBabel30OBFFTorsionCalculationGhemical7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldghemical.cpp:232,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldghemical.cpp:233,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldghemical.cpp:234,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldghemical.cpp:235,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldghemical.cpp:239,105'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:239,124'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:240,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:240,44'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:239,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:241,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:246,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:247,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      BranchProfiles:  []
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        - Src:             'src/forcefields/forcefieldghemical.cpp:221,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:222,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:223,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:228,19'
          Dst:             _ZN9OpenBabel30OBFFTorsionCalculationGhemical7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldghemical.cpp:239,105'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:239,124'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:240,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:240,44'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:239,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:241,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:246,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:247,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      BranchProfiles:  []
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        - Src:             'src/forcefields/forcefieldghemical.cpp:196,26'
          Dst:             _ZN9OpenBabel12OBForceField13VectorTorsionEPdS1_S1_S1_
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          Dst:             cos
        - Src:             'src/forcefields/forcefieldghemical.cpp:202,28'
          Dst:             cos
        - Src:             'src/forcefields/forcefieldghemical.cpp:203,28'
          Dst:             cos
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      BranchProfiles:  []
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          Dst:             _ZN9OpenBabel12OBForceField23VectorTorsionDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
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          Dst:             sin
        - Src:             'src/forcefields/forcefieldghemical.cpp:187,28'
          Dst:             sin
        - Src:             'src/forcefields/forcefieldghemical.cpp:188,28'
          Dst:             sin
        - Src:             'src/forcefields/forcefieldghemical.cpp:191,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldghemical.cpp:192,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldghemical.cpp:193,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldghemical.cpp:194,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldghemical.cpp:201,27'
          Dst:             cos
        - Src:             'src/forcefields/forcefieldghemical.cpp:202,28'
          Dst:             cos
        - Src:             'src/forcefields/forcefieldghemical.cpp:203,28'
          Dst:             cos
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      functionsReached:
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        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:142,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:143,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:144,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:149,19'
          Dst:             _ZN9OpenBabel28OBFFAngleCalculationGhemical7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldghemical.cpp:153,9'
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    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9414ParseParamFileEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 869
      functionLinenumberEnd: 922
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         89
      ICount:          364
      EdgeCount:       170
      CyclomaticComplexity: 83
      functionsReached:
        - _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel18OBForceFieldMMFF9413ParseParamDefERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel18OBForceFieldMMFF9413ParseParamOOPERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel18OBForceFieldMMFF9413ParseParamVDWERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel18OBForceFieldMMFF9414ParseParamBndkERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel18OBForceFieldMMFF9414ParseParamBondERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel18OBForceFieldMMFF9414ParseParamDfsbERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel18OBForceFieldMMFF9414ParseParamPbciERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel18OBForceFieldMMFF9414ParseParamPropERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel18OBForceFieldMMFF9415ParseParamAngleERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel18OBForceFieldMMFF9416ParseParamChargeERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel18OBForceFieldMMFF9416ParseParamStrBndERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel18OBForceFieldMMFF9417ParseParamTorsionERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel8OBLocale13RestoreLocaleEv
        - _ZN9OpenBabel8OBLocale9SetLocaleEv
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - strncmp
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:871,14'
          Dst:             _ZN9OpenBabel8OBLocale9SetLocaleEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:878,9'
          Dst:             _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:879,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:884,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:886,7'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:891,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9414ParseParamPropERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:893,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413ParseParamDefERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:895,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9414ParseParamBondERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:897,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9415ParseParamAngleERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:899,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9414ParseParamBndkERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:901,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9416ParseParamChargeERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:903,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9414ParseParamDfsbERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:905,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413ParseParamOOPERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:907,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9414ParseParamPbciERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:909,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9416ParseParamStrBndERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:911,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9417ParseParamTorsionERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:913,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413ParseParamVDWERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:920,14'
          Dst:             _ZN9OpenBabel8OBLocale13RestoreLocaleEv
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF948SetTypesEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 2659
      functionLinenumberEnd: 2685
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         24
      ICount:          147
      EdgeCount:       31
      CyclomaticComplexity: 9
      functionsReached:
        - _ZN9OpenBabel12OBForceField10PrintTypesEv
        - _ZN9OpenBabel18OBForceFieldMMFF9416PerceiveAromaticEv
        - _ZN9OpenBabel18OBForceFieldMMFF947GetTypeEPNS_6OBAtomE
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - _ZN9OpenBabel5OBMol20SetAromaticPerceivedEb
        - _ZN9OpenBabel5OBMol21SetAtomTypesPerceivedEb
        - _ZN9OpenBabel6OBAtom11SetAromaticEb
        - _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - _ZN9OpenBabel6OBBond11SetAromaticEb
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - snprintf
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2662,10'
          Dst:             _ZN9OpenBabel5OBMol21SetAtomTypesPerceivedEb
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2665,10'
          Dst:             _ZN9OpenBabel5OBMol20SetAromaticPerceivedEb
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2666,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2666,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2666,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2668,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2668,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2668,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2667,13'
          Dst:             _ZN9OpenBabel6OBBond11SetAromaticEb
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2669,13'
          Dst:             _ZN9OpenBabel6OBAtom11SetAromaticEb
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2674,14'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9416PerceiveAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2677,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2677,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2677,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2682,5'
          Dst:             _ZN9OpenBabel12OBForceField10PrintTypesEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2678,31'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetTypeEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2678,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2679,13'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9416SetFormalChargesEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 3709
      functionLinenumberEnd: 3906
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         316
      ICount:          1510
      EdgeCount:       386
      CyclomaticComplexity: 72
      functionsReached:
        - _ZN9OpenBabel12OBForceField18PrintFormalChargesEv
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - _ZN9OpenBabel5OBMol25SetAutomaticPartialChargeEb
        - _ZN9OpenBabel5OBMol7GetSSSREv
        - _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - _ZN9OpenBabel6OBRing10IsAromaticEv
        - _ZN9OpenBabel6OBRing8IsMemberEPNS_6OBAtomE
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel6OBRing4SizeEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - atoi
      functionUses:    0
      BranchProfiles:
        - Branch String:   'src/forcefields/forcefieldmmff94.cpp:3717,7'
          Branch Sides:    []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3710,10'
          Dst:             _ZN9OpenBabel5OBMol25SetAutomaticPartialChargeEb
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3712,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3712,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3712,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3903,5'
          Dst:             _ZN9OpenBabel12OBForceField18PrintFormalChargesEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3713,29'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3713,18'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3714,13'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3727,15'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3735,15'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3739,15'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3747,15'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3751,15'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3766,9'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3766,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3766,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3771,15'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3767,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3767,23'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3778,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3778,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3778,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3778,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3778,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3779,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3779,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3779,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3779,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3791,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3779,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3780,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3780,70'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3782,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3782,70'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3784,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3784,72'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3786,33'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3787,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3787,70'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3787,92'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3779,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3779,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3792,19'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3794,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3795,19'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3797,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3798,53'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3799,26'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3810,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3822,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3822,15'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3823,19'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3778,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3778,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3826,9'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3826,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3826,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3827,31'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3828,22'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3828,44'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3828,72'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3829,19'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3834,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3834,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3834,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3834,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3834,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3835,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3838,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3838,69'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3839,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3839,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3839,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3839,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3839,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3840,26'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3840,72'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3840,120'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3840,156'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3840,174'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3841,23'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3839,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3839,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3843,19'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3845,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3846,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3846,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3846,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3846,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3846,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3847,25'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3847,72'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3847,108'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3847,126'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3848,23'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3846,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3846,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3851,19'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3834,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3834,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3855,19'
          Dst:             _ZN9OpenBabel5OBMol7GetSSSREv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3863,22'
          Dst:             _ZN9OpenBabel6OBRing10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3863,45'
          Dst:             _ZN9OpenBabel6OBRing8IsMemberEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3863,73'
          Dst:             _ZNK9OpenBabel6OBRing4SizeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3865,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3865,38'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3869,21'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3873,15'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3876,19'
          Dst:             _ZN9OpenBabel5OBMol7GetSSSREv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3880,22'
          Dst:             _ZN9OpenBabel6OBRing10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3880,45'
          Dst:             _ZN9OpenBabel6OBRing8IsMemberEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3880,73'
          Dst:             _ZNK9OpenBabel6OBRing4SizeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3883,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3883,38'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3883,86'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3883,100'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3887,21'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3889,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3889,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3889,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3889,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3894,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3889,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3890,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3890,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3890,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3890,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3889,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3889,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3890,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3891,30'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3891,19'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3892,23'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3890,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3890,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3894,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3894,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3894,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3894,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3895,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3895,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3895,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3895,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3894,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3894,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3895,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3896,30'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3896,19'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3897,23'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3895,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3895,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9417SetPartialChargesEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 3909
      functionLinenumberEnd: 3988
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         122
      ICount:          621
      EdgeCount:       129
      CyclomaticComplexity: 9
      functionsReached:
        - _ZN9OpenBabel12OBForceField19PrintPartialChargesEv
        - _ZN9OpenBabel18OBForceFieldMMFF9411GetBondTypeEPNS_6OBAtomES2_
        - _ZN9OpenBabel18OBForceFieldMMFF946GetCrdEi
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - atoi
      functionUses:    0
      BranchProfiles:
        - Branch String:   'src/forcefields/forcefieldmmff94.cpp:3916,7'
          Branch Sides:    []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3910,33'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3913,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3913,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3913,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3982,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3914,29'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3914,18'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3931,11'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetCrdEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3932,19'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3936,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3936,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3936,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3936,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3936,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3937,20'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3938,25'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3938,67'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3936,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3936,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3942,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3942,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3942,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3942,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3942,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3943,20'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3944,25'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3942,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3942,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3949,7'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3949,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3949,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3949,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3949,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3950,34'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3950,24'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3952,21'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3956,15'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9411GetBondTypeEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3949,7'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3949,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:0,0'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3982,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3982,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3985,5'
          Dst:             _ZN9OpenBabel12OBForceField19PrintPartialChargesEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3983,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3983,13'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9417SetupCalculationsEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 2688
      functionLinenumberEnd: 3683
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         738
      ICount:          3246
      EdgeCount:       765
      CyclomaticComplexity: 29
      functionsReached:
        - _ZN9OpenBabel12OBForceField12IsInSameRingEPNS_6OBAtomES2_
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel12OBForceField9HasGroupsEv
        - _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - _ZN9OpenBabel13OBMolPairIterD2Ev
        - _ZN9OpenBabel13OBMolPairIterppEv
        - _ZN9OpenBabel14OBMolAngleIterC2ERNS_5OBMolE
        - _ZN9OpenBabel14OBMolAngleIterD2Ev
        - _ZN9OpenBabel14OBMolAngleIterppEv
        - _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - _ZN9OpenBabel16OBFFCalculation2D2Ev
        - _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - _ZN9OpenBabel16OBMolTorsionIterC2ERNS_5OBMolE
        - _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - _ZN9OpenBabel16OBMolTorsionIterppEv
        - _ZN9OpenBabel18OBForceFieldMMFF9410HasPilpSetEi
        - _ZN9OpenBabel18OBForceFieldMMFF9411GetBondTypeEPNS_6OBAtomES2_
        - _ZN9OpenBabel18OBForceFieldMMFF9412GetAngleTypeEPNS_6OBAtomES2_S2_
        - _ZN9OpenBabel18OBForceFieldMMFF9413GetBondLengthEPNS_6OBAtomES2_
        - _ZN9OpenBabel18OBForceFieldMMFF9413GetElementRowEPNS_6OBAtomE
        - _ZN9OpenBabel18OBForceFieldMMFF9413GetStrBndTypeEPNS_6OBAtomES2_S2_
        - _ZN9OpenBabel18OBForceFieldMMFF9414GetTorsionTypeEPNS_6OBAtomES2_S2_S2_
        - _ZN9OpenBabel18OBForceFieldMMFF9417GetParameter1AtomEiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - _ZN9OpenBabel18OBForceFieldMMFF9417GetParameter2AtomEiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - _ZN9OpenBabel18OBForceFieldMMFF9417GetParameter3AtomEiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - _ZN9OpenBabel18OBForceFieldMMFF9417GetRuleBondLengthEPNS_6OBAtomES2_
        - _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter2AtomEiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter3AtomEiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - _ZN9OpenBabel18OBForceFieldMMFF946EqLvl3Ei
        - _ZN9OpenBabel18OBForceFieldMMFF946EqLvl4Ei
        - _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - _ZN9OpenBabel18OBForceFieldMMFF946GetCrdEi
        - _ZN9OpenBabel18OBForceFieldMMFF946GetValEi
        - _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - _ZN9OpenBabel18OBForceFieldMMFF949GetCParamEPNS_6OBAtomE
        - _ZN9OpenBabel18OBForceFieldMMFF949GetUParamEPNS_6OBAtomE
        - _ZN9OpenBabel18OBForceFieldMMFF949GetZParamEPNS_6OBAtomE
        - _ZN9OpenBabel18OBForceFieldMMFF949HasLinSetEi
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel24OBFFOOPCalculationMMFF94C2Ev
        - _ZN9OpenBabel24OBFFVDWCalculationMMFF94C2Ev
        - _ZN9OpenBabel25OBFFBondCalculationMMFF94C2Ev
        - _ZN9OpenBabel26OBFFAngleCalculationMMFF94C2Ev
        - _ZN9OpenBabel27OBFFStrBndCalculationMMFF94C2Ev
        - _ZN9OpenBabel28OBFFTorsionCalculationMMFF94C2Ev
        - _ZN9OpenBabel34OBFFElectrostaticCalculationMMFF94C2Ev
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZN9OpenBabel6OBAtom9IsOneFourEPS0_
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZNK9OpenBabel13OBMolPairItercvbEv
        - _ZNK9OpenBabel13OBMolPairIterdeEv
        - _ZNK9OpenBabel14OBMolAngleItercvbEv
        - _ZNK9OpenBabel14OBMolAngleIterdeEv
        - _ZNK9OpenBabel16OBMolTorsionItercvbEv
        - _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - atoi
        - exp
        - pow
        - snprintf
        - sqrt
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2696,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2705,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2707,31'
          Dst:             _ZN9OpenBabel25OBFFBondCalculationMMFF94C2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2712,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2712,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2712,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2713,17'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2714,17'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2717,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2717,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2717,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2717,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2721,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2724,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2724,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2724,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2724,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2733,18'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9411GetBondTypeEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2735,60'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2735,52'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2735,80'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2735,72'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2735,19'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter2AtomEiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2737,42'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2737,61'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2737,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9417GetParameter2AtomEiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2741,104'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2741,117'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2741,13'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2742,13'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2747,109'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2747,122'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2747,13'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2748,13'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2754,25'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9417GetRuleBondLengthEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2763,20'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2773,18'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2794,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2796,32'
          Dst:             _ZN9OpenBabel26OBFFAngleCalculationMMFF94C2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2797,33'
          Dst:             _ZN9OpenBabel27OBFFStrBndCalculationMMFF94C2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2803,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2803,5'
          Dst:             _ZNK9OpenBabel14OBMolAngleItercvbEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2803,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2804,25'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2804,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2805,25'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2805,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2806,25'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2806,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2811,24'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2811,16'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2812,24'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2812,16'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2813,24'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2813,16'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2816,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2816,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2816,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2816,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2816,116'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2816,103'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2820,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2823,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2823,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2823,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2823,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2824,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2824,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2833,19'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9412GetAngleTypeEPNS_6OBAtomES2_S2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2834,20'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413GetStrBndTypeEPNS_6OBAtomES2_S2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2835,19'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9411GetBondTypeEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2836,19'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9411GetBondTypeEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2838,11'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949HasLinSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2845,19'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter3AtomEiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2847,55'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl3Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2847,79'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl3Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2847,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter3AtomEiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2849,55'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl4Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2849,79'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl4Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2849,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter3AtomEiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2851,55'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2851,79'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2851,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter3AtomEiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2859,93'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2859,106'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2859,119'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2859,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2860,108'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2860,121'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2860,134'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2860,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2861,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2867,13'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetCrdEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2870,14'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetCrdEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2870,41'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2873,16'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2876,13'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949HasLinSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2879,14'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetCrdEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2879,39'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetValEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2879,64'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2880,18'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2887,16'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2887,38'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2887,60'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2887,79'
          Dst:             _ZN9OpenBabel12OBForceField12IsInSameRingEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2890,16'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2890,38'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2890,60'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2890,79'
          Dst:             _ZN9OpenBabel12OBForceField12IsInSameRingEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2899,123'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2899,136'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2899,149'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2899,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2900,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2904,14'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949GetZParamEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2905,14'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949GetCParamEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2906,14'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949GetZParamEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2908,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413GetBondLengthEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2909,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413GetBondLengthEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2918,16'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2918,38'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2918,60'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2918,79'
          Dst:             _ZN9OpenBabel12OBForceField12IsInSameRingEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2920,16'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2920,38'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2920,60'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2920,79'
          Dst:             _ZN9OpenBabel12OBForceField12IsInSameRingEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2925,47'
          Dst:             exp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2933,17'
          Dst:             _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2939,19'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter3AtomEiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2949,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413GetElementRowEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2950,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413GetElementRowEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2951,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413GetElementRowEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2953,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9417GetParameter3AtomEiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2958,115'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2958,128'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2958,141'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2958,13'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2959,13'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2981,25'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413GetBondLengthEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2982,25'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413GetBondLengthEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2987,18'
          Dst:             _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2803,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2803,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2803,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3094,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3096,34'
          Dst:             _ZN9OpenBabel28OBFFTorsionCalculationMMFF94C2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3101,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3101,5'
          Dst:             _ZNK9OpenBabel16OBMolTorsionItercvbEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3101,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3102,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3102,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3103,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3103,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3104,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3104,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3105,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3105,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3110,24'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3110,16'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3111,24'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3111,16'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3112,24'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3112,16'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3113,24'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3113,16'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3116,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3116,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3116,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3116,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3117,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3117,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3117,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3117,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3121,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3124,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3124,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3124,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3124,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3125,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3125,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3125,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3125,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3134,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9414GetTorsionTypeEPNS_6OBAtomES2_S2_S2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3141,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3143,59'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl3Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3143,91'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3143,23'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3145,59'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3145,91'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl3Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3145,23'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3147,59'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3147,91'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3147,23'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3150,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3152,59'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl3Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3152,91'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3152,23'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3154,59'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3154,91'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl3Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3154,23'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3156,59'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3156,91'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3156,23'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3173,13'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949HasLinSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3173,34'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949HasLinSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3177,30'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3178,44'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3180,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949GetUParamEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3181,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949GetUParamEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3183,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9410HasPilpSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3183,39'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9410HasPilpSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3188,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetValEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3188,42'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetValEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3189,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetValEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3189,42'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetValEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3195,43'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3201,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949GetUParamEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3202,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949GetUParamEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3203,29'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3204,36'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3204,62'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3204,95'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3204,117'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3211,43'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3354,19'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3101,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3101,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3364,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3366,30'
          Dst:             _ZN9OpenBabel24OBFFOOPCalculationMMFF94C2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3370,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3370,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3370,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3375,24'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3375,16'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3383,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3383,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3383,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3383,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3383,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3383,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3383,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3395,28'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3395,20'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3396,28'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3396,20'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3397,28'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3397,20'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3400,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3400,29'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3400,81'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3400,68'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3401,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3401,29'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3401,81'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3401,68'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3405,15'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3408,46'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3408,34'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3408,86'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3408,74'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3409,46'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3409,34'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3409,86'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3409,74'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3435,23'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3442,23'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3450,23'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3464,23'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3471,23'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3479,23'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3490,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3492,30'
          Dst:             _ZN9OpenBabel24OBFFVDWCalculationMMFF94C2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3497,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3497,5'
          Dst:             _ZNK9OpenBabel13OBMolPairItercvbEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3497,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3499,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3499,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3500,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3500,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3503,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3503,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3503,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3503,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3508,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3511,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3511,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3511,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3511,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3518,51'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3518,39'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3518,99'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3518,87'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3522,51'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3522,39'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3522,99'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3522,87'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3534,47'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3534,39'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3534,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9417GetParameter1AtomEiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3535,47'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3535,39'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3535,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9417GetParameter1AtomEiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3538,110'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3538,123'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3538,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3539,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3564,27'
          Dst:             pow
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3565,27'
          Dst:             pow
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3566,16'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3567,16'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3606,67'
          Dst:             exp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3615,15'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3497,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3497,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3497,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3623,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3625,40'
          Dst:             _ZN9OpenBabel34OBFFElectrostaticCalculationMMFF94C2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3630,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3630,5'
          Dst:             _ZNK9OpenBabel13OBMolPairItercvbEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3630,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3683,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3632,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3632,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3633,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3633,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3636,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3636,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3636,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3636,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3641,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3644,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3644,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3644,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3644,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3651,51'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3651,39'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3651,99'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3651,87'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3655,51'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3655,39'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3655,99'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3655,87'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3666,34'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3666,58'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3673,16'
          Dst:             _ZN9OpenBabel6OBAtom9IsOneFourEPS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3677,17'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3630,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3630,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3683,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3683,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3683,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3683,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3683,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3683,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3683,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3683,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3683,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3683,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3683,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3683,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3683,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9413SetupPointersEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 3686
      functionLinenumberEnd: 3702
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         45
      ICount:          235
      EdgeCount:       59
      CyclomaticComplexity: 16
      functionsReached: []
      functionUses:    0
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF946EnergyEb
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 59
      functionLinenumberEnd: 89
      functionDepth:   0
      returnType:      double
      argCount:        2
      argTypes:
        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         12
      ICount:          93
      EdgeCount:       15
      CyclomaticComplexity: 5
      functionsReached:
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel18OBForceFieldMMFF9415E_ElectrostaticILb0EEEdv
        - _ZN9OpenBabel18OBForceFieldMMFF9415E_ElectrostaticILb1EEEdv
        - _ZN9OpenBabel18OBForceFieldMMFF945E_OOPILb0EEEdv
        - _ZN9OpenBabel18OBForceFieldMMFF945E_OOPILb1EEEdv
        - _ZN9OpenBabel18OBForceFieldMMFF945E_VDWILb0EEEdv
        - _ZN9OpenBabel18OBForceFieldMMFF945E_VDWILb1EEEdv
        - _ZN9OpenBabel18OBForceFieldMMFF946E_BondILb0EEEdv
        - _ZN9OpenBabel18OBForceFieldMMFF946E_BondILb1EEEdv
        - _ZN9OpenBabel18OBForceFieldMMFF947E_AngleILb0EEEdv
        - _ZN9OpenBabel18OBForceFieldMMFF947E_AngleILb1EEEdv
        - _ZN9OpenBabel18OBForceFieldMMFF948E_StrBndILb0EEEdv
        - _ZN9OpenBabel18OBForceFieldMMFF948E_StrBndILb1EEEdv
        - _ZN9OpenBabel18OBForceFieldMMFF949E_TorsionILb0EEEdv
        - _ZN9OpenBabel18OBForceFieldMMFF949E_TorsionILb1EEEdv
        - snprintf
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:63,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:67,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946E_BondILb1EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:68,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947E_AngleILb1EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:69,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF948E_StrBndILb1EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:70,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949E_TorsionILb1EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:71,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF945E_OOPILb1EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:72,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF945E_VDWILb1EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:73,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9415E_ElectrostaticILb1EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:75,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946E_BondILb0EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:76,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947E_AngleILb0EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:77,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF948E_StrBndILb0EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:78,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949E_TorsionILb0EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:79,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF945E_OOPILb0EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:80,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF945E_VDWILb0EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:81,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9415E_ElectrostaticILb0EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:85,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:86,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF946E_BondEb
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.h'
      linkageType:     InternalLinkage
      functionLinenumber: 288
      functionLinenumberEnd: 289
      functionDepth:   0
      returnType:      double
      argCount:        2
      argTypes:
        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         6
      ICount:          23
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
        - _ZN9OpenBabel18OBForceFieldMMFF946E_BondILb0EEEdv
        - _ZN9OpenBabel18OBForceFieldMMFF946E_BondILb1EEEdv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.h:289,28'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946E_BondILb1EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.h:289,45'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946E_BondILb0EEEdv
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF947E_AngleEb
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.h'
      linkageType:     InternalLinkage
      functionLinenumber: 294
      functionLinenumberEnd: 295
      functionDepth:   0
      returnType:      double
      argCount:        2
      argTypes:
        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         6
      ICount:          23
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
        - _ZN9OpenBabel18OBForceFieldMMFF947E_AngleILb0EEEdv
        - _ZN9OpenBabel18OBForceFieldMMFF947E_AngleILb1EEEdv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.h:295,28'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947E_AngleILb1EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.h:295,46'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947E_AngleILb0EEEdv
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      functionLinenumberEnd: 301
      functionDepth:   0
      returnType:      double
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      argTypes:
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      constantsTouched: []
      argNames:
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        - ''
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      ICount:          23
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
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        - _ZN9OpenBabel18OBForceFieldMMFF948E_StrBndILb1EEEdv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.h:301,28'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF948E_StrBndILb1EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.h:301,47'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF948E_StrBndILb0EEEdv
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      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.h'
      linkageType:     InternalLinkage
      functionLinenumber: 306
      functionLinenumberEnd: 307
      functionDepth:   0
      returnType:      double
      argCount:        2
      argTypes:
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        - bool
      constantsTouched: []
      argNames:
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        - ''
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      ICount:          23
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
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        - _ZN9OpenBabel18OBForceFieldMMFF949E_TorsionILb1EEEdv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.h:307,28'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949E_TorsionILb1EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.h:307,48'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949E_TorsionILb0EEEdv
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      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.h'
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      functionLinenumberEnd: 313
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      returnType:      double
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      argTypes:
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      constantsTouched: []
      argNames:
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      ICount:          23
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
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      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.h:313,28'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF945E_OOPILb1EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.h:313,44'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF945E_OOPILb0EEEdv
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      functionDepth:   0
      returnType:      double
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      argTypes:
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      argNames:
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      ICount:          23
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
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        - _ZN9OpenBabel18OBForceFieldMMFF945E_VDWILb1EEEdv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.h:319,28'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF945E_VDWILb1EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.h:319,44'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF945E_VDWILb0EEEdv
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      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.h'
      linkageType:     InternalLinkage
      functionLinenumber: 324
      functionLinenumberEnd: 325
      functionDepth:   0
      returnType:      double
      argCount:        2
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         6
      ICount:          23
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
        - _ZN9OpenBabel18OBForceFieldMMFF9415E_ElectrostaticILb0EEEdv
        - _ZN9OpenBabel18OBForceFieldMMFF9415E_ElectrostaticILb1EEEdv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.h:325,28'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9415E_ElectrostaticILb1EEEdv
        - Src:             'src/forcefields/forcefieldmmff94.h:325,54'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9415E_ElectrostaticILb0EEEdv
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF948ValidateEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 4000
      functionLinenumberEnd: 4348
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         452
      ICount:          2199
      EdgeCount:       789
      CyclomaticComplexity: 339
      functionsReached:
        - _ZN9OpenBabel12OBConversion10FindFormatEPKc
        - _ZN9OpenBabel12OBConversion11SetInFormatEPNS_8OBFormatEb
        - _ZN9OpenBabel12OBConversion4ReadEPNS_6OBBaseEPNSt3__113basic_istreamIcNS3_11char_traitsIcEEEE
        - _ZN9OpenBabel12OBConversionC2EPNSt3__113basic_istreamIcNS1_11char_traitsIcEEEEPNS1_13basic_ostreamIcS4_EE
        - _ZN9OpenBabel12OBConversionD2Ev
        - _ZN9OpenBabel12OBForceField10SetLogFileEPNSt3__113basic_ostreamIcNS1_11char_traitsIcEEEE
        - _ZN9OpenBabel12OBForceField11SetLogLevelEi
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel5OBMol5ClearEv
        - _ZN9OpenBabel5OBMol5EmptyEv
        - _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol8GetTitleEb
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - _ZNK9OpenBabel6OBAtom6GetHybEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - atof
        - atoi
        - snprintf
        - strncmp
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4001,18'
          Dst:             _ZN9OpenBabel12OBConversionC2EPNSt3__113basic_istreamIcNS1_11char_traitsIcEEEEPNS1_13basic_ostreamIcS4_EE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4002,27'
          Dst:             _ZN9OpenBabel12OBConversion10FindFormatEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4013,29'
          Dst:             _ZN9OpenBabel12OBConversion11SetInFormatEPNS_8OBFormatEb
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4014,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4023,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4029,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4035,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4045,5'
          Dst:             _ZN9OpenBabel12OBForceField10SetLogFileEPNSt3__113basic_ostreamIcNS1_11char_traitsIcEEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4046,5'
          Dst:             _ZN9OpenBabel12OBForceField11SetLogLevelEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4049,12'
          Dst:             _ZN9OpenBabel5OBMol5ClearEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4055,17'
          Dst:             _ZN9OpenBabel12OBConversion4ReadEPNS_6OBBaseEPNSt3__113basic_istreamIcNS3_11char_traitsIcEEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4057,16'
          Dst:             _ZN9OpenBabel5OBMol5EmptyEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4060,23'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4076,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4076,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4083,43'
          Dst:             _ZNK9OpenBabel5OBMol8GetTitleEb
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4088,29'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4089,29'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4090,29'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4091,29'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4094,31'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4096,31'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4098,31'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4107,32'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4108,32'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4109,32'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4110,32'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4113,34'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4115,34'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4117,34'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4126,32'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4127,32'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4128,32'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4129,32'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4132,34'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4134,34'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4136,34'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4143,25'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4145,20'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4147,25'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4149,20'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4151,25'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4153,20'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4157,34'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4160,15'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4161,20'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4162,15'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4163,21'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4164,15'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4165,22'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4166,15'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4167,20'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4168,15'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4169,21'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4170,15'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4171,20'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4172,15'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4173,20'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4174,15'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4175,19'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4176,15'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4180,15'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4195,59'
          Dst:             _ZNK9OpenBabel5OBMol8GetTitleEb
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4203,23'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4206,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4206,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4206,15'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4207,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4207,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4207,15'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4210,23'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4210,36'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4210,13'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4211,95'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4211,108'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4211,123'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4211,136'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4212,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4212,37'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4212,61'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4212,74'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4212,51'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4211,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4214,99'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4214,112'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4214,127'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4214,140'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4215,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4215,37'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4215,61'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4215,74'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4215,51'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4214,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4237,23'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4240,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4240,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4240,15'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4241,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4241,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4241,15'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4244,31'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4244,44'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4245,86'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4245,99'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4245,114'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4245,127'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4245,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4247,90'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4247,103'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4247,118'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4247,131'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4247,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4269,23'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4272,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4272,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4272,15'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4273,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4273,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4273,15'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4276,31'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4276,44'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4277,86'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4277,99'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4277,114'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4277,127'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4277,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4279,90'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4279,103'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4279,118'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4279,131'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4279,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4308,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4312,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4316,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4320,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4324,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4328,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4332,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4337,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4348,3'
          Dst:             _ZN9OpenBabel12OBConversionD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4348,3'
          Dst:             _ZN9OpenBabel12OBConversionD2Ev
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9417ValidateGradientsEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 4351
      functionLinenumberEnd: 4473
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         134
      ICount:          920
      EdgeCount:       231
      CyclomaticComplexity: 99
      functionsReached:
        - _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - _ZN9OpenBabel7vector31xEv
        - _ZN9OpenBabel7vector31yEv
        - _ZN9OpenBabel7vector31zEv
        - _ZN9OpenBabel7vector33SetEddd
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel7vector3aSERKS0_
        - _ZNK9OpenBabel5OBMol8GetTitleEb
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - snprintf
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4352,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4352,22'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4352,31'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4359,47'
          Dst:             _ZNK9OpenBabel5OBMol8GetTitleEb
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4366,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4366,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4366,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4473,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4473,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4473,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4367,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4370,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4370,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4370,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4372,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4373,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4373,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4373,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4375,122'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4375,140'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4375,153'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4375,166'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4376,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4376,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4376,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4376,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4376,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4376,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4375,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4377,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4380,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4380,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4380,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4383,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4384,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4384,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4384,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4386,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4386,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4386,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4387,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4387,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4387,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4387,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4387,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4387,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4386,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4388,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4389,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4389,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4389,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4393,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4393,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4393,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4396,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4397,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4397,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4397,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4399,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4399,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4399,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4400,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4400,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4400,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4400,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4400,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4400,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4399,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4401,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4402,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4402,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4402,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4406,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4406,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4406,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4409,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4410,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4410,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4410,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4412,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4412,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4412,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4413,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4413,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4413,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4413,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4413,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4413,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4412,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4414,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4415,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4415,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4415,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4419,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4419,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4419,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4422,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4423,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4423,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4423,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4425,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4425,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4425,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4426,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4426,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4426,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4426,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4426,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4426,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4425,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4427,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4428,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4428,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4428,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4432,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4432,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4432,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4435,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4436,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4436,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4436,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4438,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4438,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4438,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4439,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4439,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4439,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4439,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4439,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4439,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4438,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4440,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4446,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4446,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4446,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4449,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4450,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4450,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4450,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4452,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4452,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4452,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4453,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4453,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4453,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4453,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4453,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4453,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4452,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4454,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4455,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4455,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4455,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4459,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4459,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4459,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4462,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4463,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4463,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4463,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4465,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4465,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4465,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4466,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4466,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4466,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4466,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4466,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4466,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4465,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4467,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4468,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4468,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4468,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4473,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4473,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4473,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9415E_ElectrostaticILb1EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 779
      functionLinenumberEnd: 837
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         23
      ICount:          159
      EdgeCount:       30
      CyclomaticComplexity: 9
      functionsReached:
        - _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel34OBFFElectrostaticCalculationMMFF947ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - atoi
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:783,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:784,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:785,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:786,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:796,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:799,46'
          Dst:             _ZN9OpenBabel34OBFFElectrostaticCalculationMMFF947ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:804,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:805,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:811,55'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:811,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:811,105'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:811,67'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:812,85'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:813,50'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:810,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:814,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:833,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:834,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9415E_ElectrostaticILb0EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 779
      functionLinenumberEnd: 837
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         23
      ICount:          147
      EdgeCount:       30
      CyclomaticComplexity: 9
      functionsReached:
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel34OBFFElectrostaticCalculationMMFF947ComputeILb0EEEvv
        - _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - atoi
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:783,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:784,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:785,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:786,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:796,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:799,46'
          Dst:             _ZN9OpenBabel34OBFFElectrostaticCalculationMMFF947ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:811,55'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:811,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:811,105'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:811,67'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:812,85'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:813,50'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:810,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:814,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:833,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:834,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel34OBFFElectrostaticCalculationMMFF947ComputeILb0EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 756
      functionLinenumberEnd: 775
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         6
      ICount:          39
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
        - _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:757,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:770,13'
          Dst:             _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
    - functionName:    _ZN9OpenBabel34OBFFElectrostaticCalculationMMFF947ComputeILb1EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 756
      functionLinenumberEnd: 775
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         6
      ICount:          48
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:757,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:763,13'
          Dst:             _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:767,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:768,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF945E_VDWILb1EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 693
      functionLinenumberEnd: 751
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         23
      ICount:          157
      EdgeCount:       30
      CyclomaticComplexity: 9
      functionsReached:
        - _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel24OBFFVDWCalculationMMFF947ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - atoi
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:697,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:698,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:699,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:700,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:710,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:713,36'
          Dst:             _ZN9OpenBabel24OBFFVDWCalculationMMFF947ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:718,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:719,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:725,45'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:725,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:725,85'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:725,57'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:724,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:727,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:747,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:748,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF945E_VDWILb0EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 693
      functionLinenumberEnd: 751
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         23
      ICount:          145
      EdgeCount:       30
      CyclomaticComplexity: 9
      functionsReached:
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel24OBFFVDWCalculationMMFF947ComputeILb0EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - atoi
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:697,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:698,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:699,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:700,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:710,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:713,36'
          Dst:             _ZN9OpenBabel24OBFFVDWCalculationMMFF947ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:725,45'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:725,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:725,85'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:725,57'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:724,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:727,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:747,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:748,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel24OBFFVDWCalculationMMFF947ComputeILb0EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 655
      functionLinenumberEnd: 689
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         6
      ICount:          62
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
        - _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:656,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:664,13'
          Dst:             _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
    - functionName:    _ZN9OpenBabel24OBFFVDWCalculationMMFF947ComputeILb1EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 655
      functionLinenumberEnd: 689
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         6
      ICount:          103
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:656,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:662,13'
          Dst:             _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:686,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:687,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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      ICount:          155
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        - _ZN9OpenBabel6OBAtom7GetTypeEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:602,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:603,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:604,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:612,36'
          Dst:             _ZN9OpenBabel24OBFFOOPCalculationMMFF947ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:617,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:618,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:619,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:620,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:626,45'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:626,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:626,85'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:626,57'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:627,45'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:627,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:627,85'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:627,57'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:625,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:630,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:646,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:647,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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        - _ZN9OpenBabel6OBAtom7GetTypeEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:602,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:603,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:604,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:612,36'
          Dst:             _ZN9OpenBabel24OBFFOOPCalculationMMFF947ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:626,45'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:626,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:626,85'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:626,57'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:627,45'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:627,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:627,85'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:627,57'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:625,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:630,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:646,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:647,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel24OBFFOOPCalculationMMFF947ComputeILb0EEEvv
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      argTypes:
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      argNames:
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      ICount:          57
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      CyclomaticComplexity: 4
      functionsReached:
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        - _ZN9OpenBabel12OBForceField9VectorOOPEPdS1_S1_S1_
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:566,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:584,15'
          Dst:             _ZN9OpenBabel12OBForceField9VectorOOPEPdS1_S1_S1_
    - functionName:    _ZN9OpenBabel24OBFFOOPCalculationMMFF947ComputeILb1EEEvv
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      argTypes:
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      ICount:          72
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      functionsReached:
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        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - _ZN9OpenBabel12OBForceField19VectorOOPDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
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      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:566,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:574,15'
          Dst:             _ZN9OpenBabel12OBForceField19VectorOOPDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:577,61'
          Dst:             cos
        - Src:             'src/forcefields/forcefieldmmff94.cpp:579,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:580,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:581,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:582,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF949E_TorsionILb1EEEdv
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      functionLinenumber: 499
      functionLinenumberEnd: 553
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
        - ''
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      ICount:          164
      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
        - _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel28OBFFTorsionCalculationMMFF947ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - atoi
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      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:503,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:504,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:505,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:506,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:514,40'
          Dst:             _ZN9OpenBabel28OBFFTorsionCalculationMMFF947ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:519,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:520,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:521,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:522,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:528,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:528,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:528,93'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:528,61'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:529,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:529,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:529,93'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:529,61'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:527,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:532,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:549,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:550,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF949E_TorsionILb0EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
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      functionLinenumber: 499
      functionLinenumberEnd: 553
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         18
      ICount:          140
      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
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        - _ZN9OpenBabel28OBFFTorsionCalculationMMFF947ComputeILb0EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - atoi
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:503,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:504,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:505,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:506,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:514,40'
          Dst:             _ZN9OpenBabel28OBFFTorsionCalculationMMFF947ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:528,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:528,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:528,93'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:528,61'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:529,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:529,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:529,93'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:529,61'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:527,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:532,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:549,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:550,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel28OBFFTorsionCalculationMMFF947ComputeILb0EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 453
      functionLinenumberEnd: 495
      functionDepth:   0
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      argTypes:
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      constantsTouched: []
      argNames:
        - ''
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      ICount:          71
      EdgeCount:       11
      CyclomaticComplexity: 4
      functionsReached:
        - _ZN9OpenBabel12OBForceField13VectorTorsionEPdS1_S1_S1_
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - cos
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:454,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:480,13'
          Dst:             _ZN9OpenBabel12OBForceField13VectorTorsionEPdS1_S1_S1_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:485,14'
          Dst:             cos
        - Src:             'src/forcefields/forcefieldmmff94.cpp:486,15'
          Dst:             cos
        - Src:             'src/forcefields/forcefieldmmff94.cpp:487,15'
          Dst:             cos
    - functionName:    _ZN9OpenBabel28OBFFTorsionCalculationMMFF947ComputeILb1EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 453
      functionLinenumberEnd: 495
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         9
      ICount:          96
      EdgeCount:       11
      CyclomaticComplexity: 4
      functionsReached:
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        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - _ZN9OpenBabel12OBForceField23VectorTorsionDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
        - cos
        - sin
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:454,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:464,13'
          Dst:             _ZN9OpenBabel12OBForceField23VectorTorsionDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:469,14'
          Dst:             sin
        - Src:             'src/forcefields/forcefieldmmff94.cpp:470,15'
          Dst:             sin
        - Src:             'src/forcefields/forcefieldmmff94.cpp:471,15'
          Dst:             sin
        - Src:             'src/forcefields/forcefieldmmff94.cpp:475,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:476,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:477,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:478,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:485,14'
          Dst:             cos
        - Src:             'src/forcefields/forcefieldmmff94.cpp:486,15'
          Dst:             cos
        - Src:             'src/forcefields/forcefieldmmff94.cpp:487,15'
          Dst:             cos
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF948E_StrBndILb1EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 363
      functionLinenumberEnd: 415
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         18
      ICount:          153
      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
        - _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel27OBFFStrBndCalculationMMFF947ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - atoi
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:367,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:368,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:369,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:370,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:378,39'
          Dst:             _ZN9OpenBabel27OBFFStrBndCalculationMMFF947ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:383,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:384,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:385,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:391,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:391,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:391,91'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:391,60'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:392,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:392,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:390,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:396,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:411,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:412,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      functionsReached:
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        - _ZN9OpenBabel6OBAtom7GetTypeEv
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      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:367,7'
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        - Src:             'src/forcefields/forcefieldmmff94.cpp:368,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:369,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:370,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:378,39'
          Dst:             _ZN9OpenBabel27OBFFStrBndCalculationMMFF947ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:391,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:391,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:391,91'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:391,60'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:392,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:392,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:390,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:396,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:411,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:412,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      ICount:          85
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        - _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEiii
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:330,15'
          Dst:             _ZN9OpenBabel12OBForceField11VectorAngleEPdS1_S1_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:331,13'
          Dst:             _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:332,13'
          Dst:             _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
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      functionLinenumberEnd: 359
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      ICount:          110
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      functionsReached:
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        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEiii
        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - _ZN9OpenBabel12OBForceField21VectorAngleDerivativeEPdS1_S1_S1_S1_S1_
        - _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
        - _ZN9OpenBabel12OBForceField9VectorAddEPdS1_S1_
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      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:319,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:325,15'
          Dst:             _ZN9OpenBabel12OBForceField21VectorAngleDerivativeEPdS1_S1_S1_S1_S1_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:327,13'
          Dst:             _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:328,13'
          Dst:             _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:346,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:347,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:348,7'
          Dst:             _ZN9OpenBabel12OBForceField9VectorAddEPdS1_S1_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:349,7'
          Dst:             _ZN9OpenBabel12OBForceField14VectorMultiplyEPddS1_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:351,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:352,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:353,7'
          Dst:             _ZN9OpenBabel12OBForceField9VectorAddEPdS1_S1_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:354,7'
          Dst:             _ZN9OpenBabel12OBForceField14VectorMultiplyEPddS1_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:356,7'
          Dst:             _ZN9OpenBabel12OBForceField9VectorAddEPdS1_S1_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:357,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
    - functionName:    _ZN9OpenBabel12OBForceField9VectorAddEPdS1_S1_
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      argTypes:
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        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
        - ''
      BBCount:         1
      ICount:          22
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    10
      BranchProfiles:  []
      Callsites:       []
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      functionSourceFile: '/src/openbabel/include/openbabel/forcefield.h'
      linkageType:     InternalLinkage
      functionLinenumber: 1667
      functionLinenumberEnd: 1670
      functionDepth:   0
      returnType:      void
      argCount:        3
      argTypes:
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        - double
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         1
      ICount:          17
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    13
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF947E_AngleILb1EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 250
      functionLinenumberEnd: 302
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
        - ''
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      ICount:          151
      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
        - _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel26OBFFAngleCalculationMMFF947ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - atoi
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:254,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:255,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:256,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:257,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:265,38'
          Dst:             _ZN9OpenBabel26OBFFAngleCalculationMMFF947ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:270,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:271,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:272,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:278,47'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:278,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:278,89'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:278,59'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:279,47'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:279,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:277,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:283,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:298,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:299,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      functionLinenumberEnd: 302
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
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      argNames:
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      ICount:          133
      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
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        - _ZN9OpenBabel26OBFFAngleCalculationMMFF947ComputeILb0EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - atoi
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      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:254,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:255,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:256,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:257,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:265,38'
          Dst:             _ZN9OpenBabel26OBFFAngleCalculationMMFF947ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:278,47'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:278,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:278,89'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:278,59'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:279,47'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:279,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:277,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:283,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:298,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:299,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel26OBFFAngleCalculationMMFF947ComputeILb0EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 201
      functionLinenumberEnd: 246
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
        - ''
      BBCount:         11
      ICount:          79
      EdgeCount:       14
      CyclomaticComplexity: 5
      functionsReached:
        - _ZN9OpenBabel12OBForceField11VectorAngleEPdS1_S1_
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEiii
        - cos
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:202,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:230,15'
          Dst:             _ZN9OpenBabel12OBForceField11VectorAngleEPdS1_S1_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:238,41'
          Dst:             cos
    - functionName:    _ZN9OpenBabel26OBFFAngleCalculationMMFF947ComputeILb1EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 201
      functionLinenumberEnd: 246
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      returnType:      void
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      argTypes:
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      ICount:          98
      EdgeCount:       15
      CyclomaticComplexity: 5
      functionsReached:
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        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - _ZN9OpenBabel12OBForceField21VectorAngleDerivativeEPdS1_S1_S1_S1_S1_
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        - sin
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      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:202,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:210,15'
          Dst:             _ZN9OpenBabel12OBForceField21VectorAngleDerivativeEPdS1_S1_S1_S1_S1_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:218,41'
          Dst:             cos
        - Src:             'src/forcefields/forcefieldmmff94.cpp:219,15'
          Dst:             sin
        - Src:             'src/forcefields/forcefieldmmff94.cpp:226,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:227,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:228,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF946E_BondILb1EEEdv
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      linkageType:     InternalLinkage
      functionLinenumber: 135
      functionLinenumberEnd: 183
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      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      ICount:          142
      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
        - _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel25OBFFBondCalculationMMFF947ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
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      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:139,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:140,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:141,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:142,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:149,37'
          Dst:             _ZN9OpenBabel25OBFFBondCalculationMMFF947ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:154,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:155,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:161,46'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:161,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:161,87'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:161,58'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:160,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:165,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:179,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:180,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 135
      functionLinenumberEnd: 183
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
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      argNames:
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      ICount:          130
      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
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        - _ZN9OpenBabel25OBFFBondCalculationMMFF947ComputeILb0EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
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      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:139,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:140,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:141,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:142,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:149,37'
          Dst:             _ZN9OpenBabel25OBFFBondCalculationMMFF947ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:161,46'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:161,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:161,87'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             atoi
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          Dst:             snprintf
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:180,7'
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        - Src:             'src/forcefields/forcefieldmmff94.cpp:125,13'
          Dst:             _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
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        - Src:             'src/forcefields/forcefieldmmff94.cpp:116,13'
          Dst:             _ZN9OpenBabel12OBForceField20VectorBondDerivativeEPdS1_S1_S1_
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          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:123,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.h:30,9'
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      argTypes:
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        - 'N/A'
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        - _ZN9OpenBabel18OBForceFieldMMFF9410HasSbmbSetEi
        - _ZN9OpenBabel6OBAtom7GetTypeEv
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        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4495,15'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4495,44'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4498,28'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4498,20'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4498,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9410HasAromSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4498,62'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4498,54'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4498,43'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9410HasAromSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4501,28'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4501,20'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4501,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9410HasSbmbSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4501,62'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4501,54'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4501,43'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9410HasSbmbSetEi
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      argTypes:
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        - int
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      constantsTouched: []
      argNames:
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        - ''
        - ''
        - ''
      BBCount:         24
      ICount:          106
      EdgeCount:       32
      CyclomaticComplexity: 10
      functionsReached: []
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      Callsites:       []
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9417GetParameter2AtomEiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
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      argTypes:
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        - int
        - int
        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
        - ''
        - ''
      BBCount:         20
      ICount:          84
      EdgeCount:       26
      CyclomaticComplexity: 8
      functionsReached: []
      functionUses:    1
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9417GetRuleBondLengthEPNS_6OBAtomES2_
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
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      argTypes:
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        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
      BBCount:         75
      ICount:          350
      EdgeCount:       99
      CyclomaticComplexity: 26
      functionsReached:
        - _ZN9OpenBabel10OBElements25GetAllredRochowElectroNegEj
        - _ZN9OpenBabel18OBForceFieldMMFF9410HasPilpSetEi
        - _ZN9OpenBabel18OBForceFieldMMFF9417GetCovalentRadiusEPNS_6OBAtomE
        - _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - atoi
        - pow
      functionUses:    2
      BranchProfiles:
        - Branch String:   'src/forcefields/forcefieldmmff94.cpp:5066,5'
          Branch Sides:    []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5020,11'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9417GetCovalentRadiusEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5021,11'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9417GetCovalentRadiusEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5022,51'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5022,10'
          Dst:             _ZN9OpenBabel10OBElements25GetAllredRochowElectroNegEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5023,51'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5023,10'
          Dst:             _ZN9OpenBabel10OBElements25GetAllredRochowElectroNegEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5026,12'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5028,12'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5031,12'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5031,57'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5036,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5036,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5036,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5038,31'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5038,23'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5038,15'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5038,69'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5038,61'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5038,53'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5043,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5043,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5043,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5045,31'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5045,23'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5045,15'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5045,69'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5045,61'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5045,53'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5050,26'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5051,44'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5052,26'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5052,18'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5052,10'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5052,64'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5052,56'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5052,48'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5054,26'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5054,18'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5054,10'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5054,64'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5054,56'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5054,48'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5056,26'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5056,18'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5056,10'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5056,64'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5056,56'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5056,48'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5058,40'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5059,31'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5059,23'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5059,12'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9410HasPilpSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5059,66'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5059,58'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5059,47'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9410HasPilpSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5101,28'
          Dst:             pow
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      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         3
      ICount:          13
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
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      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.h:39,9'
          Dst:             _ZN9OpenBabel16OBFFCalculation3C2Ev
    - functionName:    _ZN9OpenBabel27OBFFStrBndCalculationMMFF94C2Ev
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      linkageType:     InternalLinkage
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      functionDepth:   0
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      argTypes:
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      constantsTouched: []
      argNames:
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      ICount:          13
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
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      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.h:49,9'
          Dst:             _ZN9OpenBabel16OBFFCalculation3C2Ev
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9412GetAngleTypeEPNS_6OBAtomES2_S2_
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
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      functionLinenumberEnd: 4534
      functionDepth:   0
      returnType:      int
      argCount:        4
      argTypes:
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        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
        - ''
      BBCount:         22
      ICount:          76
      EdgeCount:       30
      CyclomaticComplexity: 10
      functionsReached:
        - _ZN9OpenBabel12OBForceField12IsInSameRingEPNS_6OBAtomES2_
        - _ZN9OpenBabel18OBForceFieldMMFF9411GetBondTypeEPNS_6OBAtomES2_
        - _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4511,20'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9411GetBondTypeEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4511,39'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9411GetBondTypeEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4513,12'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4513,34'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4513,56'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4513,75'
          Dst:             _ZN9OpenBabel12OBForceField12IsInSameRingEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4523,12'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4523,34'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4523,56'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4523,75'
          Dst:             _ZN9OpenBabel12OBForceField12IsInSameRingEPNS_6OBAtomES2_
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9413GetStrBndTypeEPNS_6OBAtomES2_S2_
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 4537
      functionLinenumberEnd: 4619
      functionDepth:   0
      returnType:      int
      argCount:        4
      argTypes:
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        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         41
      ICount:          136
      EdgeCount:       51
      CyclomaticComplexity: 12
      functionsReached:
        - _ZN9OpenBabel18OBForceFieldMMFF9411GetBondTypeEPNS_6OBAtomES2_
        - _ZN9OpenBabel18OBForceFieldMMFF9412GetAngleTypeEPNS_6OBAtomES2_S2_
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - atoi
      functionUses:    1
      BranchProfiles:
        - Branch String:   'src/forcefields/forcefieldmmff94.cpp:4550,5'
          Branch Sides:    []
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      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         3
      ICount:          13
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4759,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9410HasSbmbSetEi
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 4764
      functionLinenumberEnd: 4765
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         3
      ICount:          13
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4765,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9416PerceiveAromaticEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1379
      functionLinenumberEnd: 1473
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         123
      ICount:          566
      EdgeCount:       134
      CyclomaticComplexity: 13
      functionsReached:
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - _ZN9OpenBabel5OBMol7GetSSSREv
        - _ZN9OpenBabel6OBAtom11SetAromaticEb
        - _ZN9OpenBabel6OBBond11SetAromaticEb
        - _ZN9OpenBabel6OBRing11GetRootAtomEv
        - _ZN9OpenBabel6OBRing8IsInRingEi
        - _ZN9OpenBabel6OBRing8IsMemberEPNS_6OBBondE
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol7GetBondEii
        - _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel6OBRing4SizeEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1384,15'
          Dst:             _ZN9OpenBabel5OBMol7GetSSSREv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1390,25'
          Dst:             _ZNK9OpenBabel6OBRing4SizeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1397,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1401,27'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1406,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1419,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1419,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1419,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1419,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1419,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1420,36'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1420,22'
          Dst:             _ZN9OpenBabel6OBRing8IsInRingEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1423,21'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1424,27'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1424,77'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1425,30'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1425,54'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1425,99'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1426,25'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1433,40'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1433,27'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1437,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1419,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1419,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1443,23'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1443,42'
          Dst:             _ZN9OpenBabel6OBRing11GetRootAtomEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1451,23'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1453,23'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1461,21'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1461,35'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1463,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1463,30'
          Dst:             _ZN9OpenBabel6OBAtom11SetAromaticEb
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1466,9'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1466,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1466,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1467,21'
          Dst:             _ZN9OpenBabel6OBRing8IsMemberEPNS_6OBBondE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1468,19'
          Dst:             _ZN9OpenBabel6OBBond11SetAromaticEb
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF947GetTypeEPNS_6OBAtomE
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1482
      functionLinenumberEnd: 2656
      functionDepth:   0
      returnType:      int
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         1317
      ICount:          6151
      EdgeCount:       1779
      CyclomaticComplexity: 464
      functionsReached:
        - _ZN9OpenBabel12OBForceField12IsInSameRingEPNS_6OBAtomES2_
        - _ZN9OpenBabel18OBForceFieldMMFF947GetTypeEPNS_6OBAtomE
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
      functionUses:    2
      BranchProfiles:
        - Branch String:   'src/forcefields/forcefieldmmff94.cpp:1761,11'
          Branch Sides:    []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1488,15'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1489,17'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1494,19'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1497,19'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1500,19'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1501,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1501,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1501,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1501,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1501,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1502,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1502,68'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1501,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1501,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1510,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1510,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1510,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1510,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1510,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1511,23'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1511,46'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1511,69'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1514,15'
          Dst:             _ZN9OpenBabel12OBForceField12IsInSameRingEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1518,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1518,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1518,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1518,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1518,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1519,25'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1519,43'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1521,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1521,52'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1521,78'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1526,17'
          Dst:             _ZN9OpenBabel12OBForceField12IsInSameRingEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1518,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1518,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1510,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1510,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1536,30'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1538,37'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1540,37'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1540,93'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1542,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1542,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1542,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1542,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1542,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1543,26'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1543,72'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1542,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1542,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1554,29'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1556,36'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1558,36'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1558,91'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1560,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1560,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1560,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1560,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1560,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1561,26'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1561,72'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1560,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1560,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1573,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1573,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1573,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1573,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1573,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1574,24'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1574,72'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1575,27'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1575,62'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1577,34'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1577,70'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1573,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1573,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1587,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1589,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1589,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1589,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1589,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1589,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1590,28'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1590,73'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1590,94'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1589,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1589,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1598,30'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1599,25'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1609,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1609,63'
          Dst:             _ZN9OpenBabel12OBForceField12IsInSameRingEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1610,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1610,91'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1611,37'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1611,82'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1618,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1620,30'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1621,25'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1629,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1631,30'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1632,25'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1642,22'
          Dst:             _ZN9OpenBabel12OBForceField12IsInSameRingEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1643,29'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1645,36'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1652,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1652,89'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1653,27'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1655,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1661,33'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1661,87'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1662,27'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1664,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1670,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1672,30'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1679,17'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1681,19'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1683,26'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1684,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1684,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1684,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1684,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1684,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1685,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1685,68'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1684,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1684,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1690,21'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1702,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1703,7'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1703,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1703,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1703,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1703,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1704,18'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1707,18'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1710,18'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1711,20'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1712,22'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1720,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1720,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1720,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1720,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1720,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1721,25'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1725,25'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1726,27'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1730,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1730,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1730,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1730,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1730,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1731,32'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1731,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1734,29'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1735,28'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1735,50'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1736,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1739,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1739,85'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1730,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1730,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1746,25'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1749,25'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1720,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1720,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1760,18'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1761,19'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetTypeEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1782,20'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1783,22'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1790,20'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1791,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1791,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1791,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1791,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1791,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1792,27'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1795,27'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1796,26'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1796,48'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1797,29'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1797,77'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1791,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1791,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1806,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1806,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1806,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1806,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1806,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1807,25'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1810,25'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1811,27'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1815,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1815,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1815,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1815,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1815,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1816,32'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1816,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1819,29'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1820,28'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1820,50'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1821,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1821,85'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1821,138'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1821,189'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1815,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1815,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1828,25'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1829,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1829,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1829,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1829,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1829,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1830,32'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1830,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1833,29'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1834,28'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1834,50'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1835,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1835,85'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1829,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1829,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1841,25'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1842,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1842,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1842,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1842,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1842,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1843,32'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1843,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1846,32'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1846,84'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1842,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1842,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1806,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1806,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1857,18'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1857,63'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1703,7'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1703,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1867,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1869,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1877,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1879,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1880,19'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1884,19'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1891,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1897,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1897,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1897,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1897,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1897,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1898,23'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1899,22'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1899,44'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1900,33'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1903,20'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1904,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1906,29'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1909,27'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1910,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1911,33'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1914,28'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1914,64'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1914,86'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1915,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1897,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1897,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1920,84'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1929,19'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1929,19'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1949,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1953,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1961,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1963,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1964,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1964,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1964,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1964,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1964,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1965,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1965,66'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1964,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1964,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1973,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1974,19'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1977,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1977,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1977,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1977,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1977,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1978,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1978,68'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1981,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1982,27'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1983,26'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1983,48'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1987,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1988,27'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1989,26'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1989,48'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1990,17'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1990,17'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1990,17'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1990,17'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1990,17'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1991,31'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1991,82'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1990,17'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1990,17'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1977,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1977,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2021,19'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2028,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2028,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2028,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2028,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2044,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2044,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2044,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2044,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2028,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2029,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2029,67'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2032,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2032,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2032,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2032,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2032,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2033,29'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2033,78'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2032,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2032,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2028,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2028,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2056,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2056,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2056,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2056,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2044,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2045,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2046,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2046,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2046,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2046,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2046,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2047,29'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2048,28'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2048,50'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2048,82'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2048,130'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2046,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2046,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2044,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2044,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2056,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2057,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2062,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2062,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2062,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2062,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2062,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2063,29'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2064,28'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2064,50'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2065,42'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2067,27'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2068,32'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2068,65'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2069,44'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2072,28'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2072,50'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2073,42'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2075,29'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2075,80'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2077,19'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2077,19'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2077,19'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2077,19'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2077,19'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2078,36'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2077,19'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2077,19'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2086,29'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2086,80'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2086,116'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2086,145'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2089,29'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2090,31'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2093,31'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2062,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2062,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2102,87'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2111,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2113,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2113,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2113,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2113,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2113,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2114,29'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2115,28'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2115,50'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2116,31'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2118,21'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2118,21'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2118,21'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2118,21'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2118,21'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2119,38'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2122,38'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2125,38'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2118,21'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2118,21'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2131,23'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2131,23'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2131,23'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2131,23'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2131,23'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2132,35'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2132,57'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2132,103'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2131,23'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2131,23'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2141,31'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2143,21'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2143,21'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2143,21'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2143,21'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2143,21'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2144,33'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2144,55'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2144,101'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2143,21'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2143,21'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2113,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2113,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2056,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2056,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2181,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2182,19'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2185,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2185,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2185,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2185,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2185,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2187,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2188,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2190,37'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2190,59'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2185,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2185,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2198,19'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2201,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2201,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2201,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2201,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2201,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2202,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2203,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2203,69'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2203,91'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2203,120'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2206,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2206,68'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2206,118'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2206,140'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2201,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2201,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2210,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2210,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2210,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2210,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2210,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2211,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2214,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2214,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2214,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2214,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2214,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2215,29'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2215,78'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2214,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2214,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2210,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2210,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2226,19'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2229,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2229,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2229,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2229,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2229,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2230,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2231,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2231,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2231,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2231,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2231,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2232,29'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2232,78'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2231,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2231,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2229,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2229,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2246,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2247,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2247,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2247,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2247,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2247,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2248,23'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2249,22'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2249,44'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2250,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2250,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2250,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2250,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2250,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2251,46'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2252,28'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2252,78'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2250,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2250,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2257,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2257,68'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2247,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2247,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2268,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2270,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2274,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2276,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2276,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2276,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2276,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2276,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2277,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2276,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2276,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2286,19'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2303,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2306,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2306,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2306,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2306,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2306,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2307,23'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2309,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2309,65'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2310,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2310,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2310,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2310,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2310,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2311,27'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2311,76'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2314,27'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2314,76'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2310,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2310,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2320,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2324,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2329,24'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2329,46'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2340,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2346,24'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2346,46'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2347,18'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2347,53'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2357,15'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2357,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2357,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2361,31'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2358,28'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2358,58'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2370,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2375,24'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2375,46'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2386,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2386,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2386,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2386,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2393,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2393,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2393,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2393,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2386,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2390,27'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2386,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2386,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2393,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2396,37'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2397,28'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2397,50'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2398,28'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2401,28'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2401,74'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2402,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2402,63'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2393,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2393,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2423,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2425,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2429,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2437,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2444,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2451,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2458,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2459,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2464,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2467,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2475,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2477,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2483,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2486,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2486,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2486,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2486,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2486,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2487,23'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2488,22'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2488,44'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2489,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2493,20'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2494,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2496,29'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2486,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2486,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2515,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2518,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2518,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2518,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2518,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2518,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2519,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2520,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2521,24'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2521,46'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2518,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2518,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2533,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2536,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2536,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2536,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2536,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2536,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2537,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2537,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2537,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2537,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2542,23'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2543,22'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2537,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2538,25'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2538,74'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2537,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2537,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2543,44'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2544,33'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2536,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2536,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2562,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2564,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2567,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2567,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2567,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2567,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2567,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2568,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2567,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2567,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2576,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2580,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2588,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2595,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2597,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2605,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2606,17'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2615,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2616,17'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2625,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2632,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2634,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2638,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2646,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2648,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
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      ICount:          372
      EdgeCount:       130
      CyclomaticComplexity: 59
      functionsReached:
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        - _ZN9OpenBabel13OBFFParameter5clearEv
        - _ZN9OpenBabel13OBFFParameterC2Ev
        - _ZN9OpenBabel13OBFFParameterD2Ev
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
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        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel13OBFFParameterC2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1290,9'
          Dst:             _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1291,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1296,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1297,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1299,7'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1301,17'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1302,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1303,33'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1304,33'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1305,33'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1306,33'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1307,33'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1308,33'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1309,33'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1310,33'
          Dst:             atoi
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          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
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          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
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          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1319,21'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1328,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1328,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
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      constantsTouched: []
      argNames:
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      BBCount:         51
      ICount:          253
      EdgeCount:       89
      CyclomaticComplexity: 40
      functionsReached:
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        - _ZN9OpenBabel13OBFFParameter5clearEv
        - _ZN9OpenBabel13OBFFParameterC2Ev
        - _ZN9OpenBabel13OBFFParameterD2Ev
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - atoi
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel13OBFFParameterC2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1339,9'
          Dst:             _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1340,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1345,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1346,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1348,7'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1350,17'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1351,33'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1352,33'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1353,33'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1354,33'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1355,33'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1363,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1363,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9414ParseParamBondERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
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      argTypes:
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      BBCount:         47
      ICount:          235
      EdgeCount:       83
      CyclomaticComplexity: 38
      functionsReached:
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        - _ZN9OpenBabel13OBFFParameter5clearEv
        - _ZN9OpenBabel13OBFFParameterC2Ev
        - _ZN9OpenBabel13OBFFParameterD2Ev
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - atof
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      Callsites:
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          Dst:             _ZN9OpenBabel13OBFFParameterC2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:933,9'
          Dst:             _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:934,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:939,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:940,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:942,7'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:944,17'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:945,33'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:946,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:947,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:948,33'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:949,33'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:957,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:957,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9415ParseParamAngleERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
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      argTypes:
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      constantsTouched: []
      argNames:
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        - ''
      BBCount:         47
      ICount:          240
      EdgeCount:       83
      CyclomaticComplexity: 38
      functionsReached:
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        - _ZN9OpenBabel13OBFFParameter5clearEv
        - _ZN9OpenBabel13OBFFParameterC2Ev
        - _ZN9OpenBabel13OBFFParameterD2Ev
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - atof
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      Callsites:
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        - Src:             'src/forcefields/forcefieldmmff94.cpp:1002,9'
          Dst:             _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1003,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1008,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1009,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1011,7'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1013,17'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1014,33'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1015,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1016,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1017,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1018,33'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1019,33'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1027,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1027,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9414ParseParamBndkERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
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      argTypes:
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        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
      BBCount:         45
      ICount:          220
      EdgeCount:       80
      CyclomaticComplexity: 37
      functionsReached:
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        - _ZN9OpenBabel13OBFFParameter5clearEv
        - _ZN9OpenBabel13OBFFParameterC2Ev
        - _ZN9OpenBabel13OBFFParameterD2Ev
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - atof
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          Dst:             _ZN9OpenBabel13OBFFParameterC2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:968,9'
          Dst:             _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:969,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:974,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:975,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:977,7'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:979,17'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:980,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:981,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:982,33'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:983,33'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:991,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:991,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9416ParseParamChargeERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
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      functionLinenumber: 1215
      functionLinenumberEnd: 1246
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
      BBCount:         45
      ICount:          221
      EdgeCount:       80
      CyclomaticComplexity: 37
      functionsReached:
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        - _ZN9OpenBabel13OBFFParameter5clearEv
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      ICount:          216
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          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1123,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1124,21'
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          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
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          Dst:             _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
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          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
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          Dst:             atoi
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          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1271,33'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1279,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1279,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
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      BBCount:         47
      ICount:          240
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        - _ZN9OpenBabel13OBFFParameter5clearEv
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        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
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          Dst:             _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
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          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1044,11'
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        - Src:             'src/forcefields/forcefieldmmff94.cpp:1045,11'
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          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1049,17'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1050,33'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1051,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1052,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1053,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1054,33'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1055,33'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1063,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1063,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
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      BBCount:         49
      ICount:          259
      EdgeCount:       86
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        - _ZN9OpenBabel13OBFFParameter5clearEv
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        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - atof
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          Dst:             _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1145,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1150,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1151,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1153,7'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1155,17'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1156,33'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1157,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1158,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1159,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1160,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1161,33'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1162,33'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1163,33'
          Dst:             atof
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          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1171,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
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      argTypes:
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      constantsTouched: []
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        - ''
      BBCount:         62
      ICount:          308
      EdgeCount:       112
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        - _ZN9OpenBabel13OBFFParameterC2Ev
        - _ZN9OpenBabel13OBFFParameterD2Ev
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        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - atof
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          Dst:             _ZN9OpenBabel13OBFFParameterC2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1182,9'
          Dst:             _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1183,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1188,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1189,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1191,7'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1193,17'
          Dst:             _ZN9OpenBabel13OBFFParameter5clearEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1194,21'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1195,33'
          Dst:             atof
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          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefielduff.cpp:1744,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:1734,21'
          Dst:             _ZN9OpenBabel15OBSmartsPattern5MatchERNS_5OBMolEb
        - Src:             'src/forcefields/forcefielduff.cpp:1735,28'
          Dst:             _ZN9OpenBabel15OBSmartsPattern10GetMapListEv
        - Src:             'src/forcefields/forcefielduff.cpp:1737,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1737,34'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:1744,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefielduff.cpp:1744,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefielduff.cpp:1745,14'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefielduff.cpp:1749,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefielduff.cpp:1749,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefielduff.cpp:1749,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefielduff.cpp:1749,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1749,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1750,29'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefielduff.cpp:1760,14'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1749,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefielduff.cpp:1749,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1762,19'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefielduff.cpp:1763,12'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1768,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1769,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1771,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:1771,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefielduff.cpp:1771,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefielduff.cpp:1772,57'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1772,70'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1773,8'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/forcefields/forcefielduff.cpp:1773,25'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefielduff.cpp:1772,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1774,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel12OBForceField17SetPartialChargesEv
      functionSourceFile: '/src/openbabel/include/openbabel/forcefield.h'
      linkageType:     InternalLinkage
      functionLinenumber: 658
      functionLinenumberEnd: 658
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         1
      ICount:          4
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    0
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel15OBForceFieldUFF17SetupCalculationsEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 742
      functionLinenumberEnd: 1531
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         866
      ICount:          3542
      EdgeCount:       1692
      CyclomaticComplexity: 828
      functionsReached:
        - _ZN9OpenBabel10OBPairData8SetValueEPKc
        - _ZN9OpenBabel10OBPairDataC2Ev
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel12OBForceField9HasGroupsEv
        - _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - _ZN9OpenBabel13OBMolPairIterD2Ev
        - _ZN9OpenBabel13OBMolPairIterppEv
        - _ZN9OpenBabel14OBMolAngleIterC2ERNS_5OBMolE
        - _ZN9OpenBabel14OBMolAngleIterD2Ev
        - _ZN9OpenBabel14OBMolAngleIterppEv
        - _ZN9OpenBabel15GetCoordinationEPNS_6OBAtomEi
        - _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - _ZN9OpenBabel15OBForceFieldUFF19SetupVDWCalculationEPNS_6OBAtomES2_RNS_21OBFFVDWCalculationUFFE
        - _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - _ZN9OpenBabel16OBFFCalculation2D2Ev
        - _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel16OBMolTorsionIterC2ERNS_5OBMolE
        - _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - _ZN9OpenBabel16OBMolTorsionIterppEv
        - _ZN9OpenBabel21CalculateBondDistanceEPNS_13OBFFParameterES1_d
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel21OBFFOOPCalculationUFFC2Ev
        - _ZN9OpenBabel21OBFFVDWCalculationUFFC2Ev
        - _ZN9OpenBabel22OBFFBondCalculationUFFC2Ev
        - _ZN9OpenBabel23OBFFAngleCalculationUFFC2Ev
        - _ZN9OpenBabel25OBFFTorsionCalculationUFFC2Ev
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - _ZN9OpenBabel6OBAtom10IsOneThreeEPS0_
        - _ZN9OpenBabel6OBAtom11IsConnectedEPS0_
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZN9OpenBabel6OBAtom8GetAngleEPS0_S1_
        - _ZN9OpenBabel6OBBase10DeleteDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel6OBBase7HasDataEPKc
        - _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZN9OpenBabel6OBBond7IsAmideEv
        - _ZNK9OpenBabel13OBMolPairItercvbEv
        - _ZNK9OpenBabel13OBMolPairIterdeEv
        - _ZNK9OpenBabel14OBMolAngleItercvbEv
        - _ZNK9OpenBabel14OBMolAngleIterdeEv
        - _ZNK9OpenBabel16OBMolTorsionItercvbEv
        - _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom21ExplicitHydrogenCountEb
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - cos
        - log
        - pow
        - sin
        - snprintf
        - sqrt
        - strncmp
      functionUses:    0
      BranchProfiles:
        - Branch String:   'src/forcefields/forcefielduff.cpp:1122,11'
          Branch Sides:    []
        - Branch String:   'src/forcefields/forcefielduff.cpp:1175,7'
          Branch Sides:    []
        - Branch String:   'src/forcefields/forcefielduff.cpp:1264,9'
          Branch Sides:    []
        - Branch String:   'src/forcefields/forcefielduff.cpp:1278,9'
          Branch Sides:    []
        - Branch String:   'src/forcefields/forcefielduff.cpp:1311,11'
          Branch Sides:    []
        - Branch String:   'src/forcefields/forcefielduff.cpp:1322,11'
          Branch Sides:    []
        - Branch String:   'src/forcefields/forcefielduff.cpp:1356,7'
          Branch Sides:    []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:746,28'
          Dst:             _ZN9OpenBabel22OBFFBondCalculationUFFC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:747,29'
          Dst:             _ZN9OpenBabel23OBFFAngleCalculationUFFC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:748,31'
          Dst:             _ZN9OpenBabel25OBFFTorsionCalculationUFFC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:749,27'
          Dst:             _ZN9OpenBabel21OBFFOOPCalculationUFFC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:750,27'
          Dst:             _ZN9OpenBabel21OBFFVDWCalculationUFFC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:753,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:765,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:765,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefielduff.cpp:765,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefielduff.cpp:771,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:767,13'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:768,13'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:771,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefielduff.cpp:771,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefielduff.cpp:772,42'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:772,20'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:777,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:776,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:778,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefielduff.cpp:780,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:784,11'
          Dst:             _ZN9OpenBabel15GetCoordinationEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:789,28'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/forcefields/forcefielduff.cpp:791,50'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:791,22'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:804,30'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/forcefields/forcefielduff.cpp:805,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:805,24'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:0,0'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:0,0'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:0,0'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:804,71'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/forcefields/forcefielduff.cpp:829,33'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:830,16'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:831,16'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:832,15'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/forcefields/forcefielduff.cpp:834,21'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:835,16'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:836,16'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:837,21'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/forcefields/forcefielduff.cpp:840,23'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:841,18'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:842,18'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:843,29'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/forcefields/forcefielduff.cpp:847,11'
          Dst:             _ZN9OpenBabel15GetCoordinationEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:852,28'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/forcefields/forcefielduff.cpp:854,50'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:854,22'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:867,30'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/forcefields/forcefielduff.cpp:868,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:868,24'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:0,0'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:0,0'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:0,0'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:867,71'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/forcefields/forcefielduff.cpp:892,33'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:893,16'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:894,16'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:895,15'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/forcefields/forcefielduff.cpp:897,21'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:898,16'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:899,16'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:900,21'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/forcefields/forcefielduff.cpp:902,23'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:903,18'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:904,18'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:905,29'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/forcefields/forcefielduff.cpp:913,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:915,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:915,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefielduff.cpp:915,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefielduff.cpp:916,17'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/forcefields/forcefielduff.cpp:917,17'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/forcefields/forcefielduff.cpp:920,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:920,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:920,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:920,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:924,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefielduff.cpp:927,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:927,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:927,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:927,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:934,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefielduff.cpp:935,17'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefielduff.cpp:939,15'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:939,41'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:940,18'
          Dst:             _ZNK9OpenBabel6OBAtom21ExplicitHydrogenCountEb
        - Src:             'src/forcefields/forcefielduff.cpp:940,53'
          Dst:             _ZNK9OpenBabel6OBAtom21ExplicitHydrogenCountEb
        - Src:             'src/forcefields/forcefielduff.cpp:942,17'
          Dst:             _ZN9OpenBabel6OBBond7IsAmideEv
        - Src:             'src/forcefields/forcefielduff.cpp:949,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:949,20'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:950,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:950,20'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:955,23'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:955,36'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:954,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:956,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:961,21'
          Dst:             _ZN9OpenBabel21CalculateBondDistanceEPNS_13OBFFParameterES1_d
        - Src:             'src/forcefields/forcefielduff.cpp:969,16'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefielduff.cpp:977,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:982,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:982,5'
          Dst:             _ZNK9OpenBabel14OBMolAngleItercvbEv
        - Src:             'src/forcefields/forcefielduff.cpp:982,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:983,25'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/forcefields/forcefielduff.cpp:983,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:984,25'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/forcefields/forcefielduff.cpp:984,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:985,25'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/forcefields/forcefielduff.cpp:985,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:991,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:991,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:992,41'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:992,28'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:993,41'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:993,28'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:998,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefielduff.cpp:1001,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1001,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1001,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1001,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1002,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1002,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1013,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1013,20'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:1014,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1014,20'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:1015,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1015,20'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:1020,23'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1020,36'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1020,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1019,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1021,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1026,22'
          Dst:             _ZN9OpenBabel15GetCoordinationEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1031,23'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1031,36'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1031,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1030,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1032,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1041,13'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF19SetupVDWCalculationEPNS_6OBAtomES2_RNS_21OBFFVDWCalculationUFFE
        - Src:             'src/forcefields/forcefielduff.cpp:1053,28'
          Dst:             _ZN9OpenBabel6OBAtom8GetAngleEPS0_S1_
        - Src:             'src/forcefields/forcefielduff.cpp:1056,16'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1057,21'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1058,21'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1062,25'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1062,58'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1063,28'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1063,61'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1100,16'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1101,19'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1102,19'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1106,25'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1106,58'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1107,28'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1107,61'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1142,27'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:1143,17'
          Dst:             sin
        - Src:             'src/forcefields/forcefielduff.cpp:1149,25'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:1153,19'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefielduff.cpp:1154,48'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefielduff.cpp:1155,42'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefielduff.cpp:1157,42'
          Dst:             _ZN9OpenBabel6OBBond7IsAmideEv
        - Src:             'src/forcefields/forcefielduff.cpp:1159,10'
          Dst:             _ZN9OpenBabel21CalculateBondDistanceEPNS_13OBFFParameterES1_d
        - Src:             'src/forcefields/forcefielduff.cpp:1161,19'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefielduff.cpp:1162,48'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefielduff.cpp:1163,42'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefielduff.cpp:1165,42'
          Dst:             _ZN9OpenBabel6OBBond7IsAmideEv
        - Src:             'src/forcefields/forcefielduff.cpp:1167,10'
          Dst:             _ZN9OpenBabel21CalculateBondDistanceEPNS_13OBFFParameterES1_d
        - Src:             'src/forcefields/forcefielduff.cpp:1168,10'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefielduff.cpp:1172,75'
          Dst:             pow
        - Src:             'src/forcefields/forcefielduff.cpp:1189,17'
          Dst:             _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - Src:             'src/forcefields/forcefielduff.cpp:982,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterppEv
        - Src:             'src/forcefields/forcefielduff.cpp:982,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:982,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1197,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1203,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:1203,5'
          Dst:             _ZNK9OpenBabel16OBMolTorsionItercvbEv
        - Src:             'src/forcefields/forcefielduff.cpp:1203,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1204,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1204,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1205,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1205,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1206,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1206,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1207,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1207,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1213,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1213,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1213,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1213,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1214,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1214,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1214,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1214,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1218,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefielduff.cpp:1221,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1221,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1221,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1221,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1222,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1222,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1222,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1222,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1229,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefielduff.cpp:1232,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefielduff.cpp:1233,15'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefielduff.cpp:1235,15'
          Dst:             _ZN9OpenBabel6OBBond7IsAmideEv
        - Src:             'src/forcefields/forcefielduff.cpp:1244,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1244,20'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:1245,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1245,20'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:1250,23'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1250,36'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1249,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1251,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1264,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefielduff.cpp:1278,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefielduff.cpp:1293,44'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefielduff.cpp:1300,11'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefielduff.cpp:1301,25'
          Dst:             log
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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        - Src:             'src/forcefields/forcefielduff.cpp:1421,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
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        - Src:             'src/forcefields/forcefielduff.cpp:1422,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1423,38'
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        - Src:             'src/forcefields/forcefielduff.cpp:1423,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1424,38'
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        - Src:             'src/forcefields/forcefielduff.cpp:1424,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1429,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefielduff.cpp:1432,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1432,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1433,42'
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1435,42'
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1448,13'
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          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1449,13'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1450,13'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1462,15'
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        - Src:             'src/forcefields/forcefielduff.cpp:1469,15'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefielduff.cpp:1477,15'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefielduff.cpp:1485,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1487,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
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        - Src:             'src/forcefields/forcefielduff.cpp:1487,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1488,25'
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        - Src:             'src/forcefields/forcefielduff.cpp:1488,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1489,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1489,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1492,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1492,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1492,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1492,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1497,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefielduff.cpp:1500,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1500,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1500,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1500,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1504,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1504,37'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1504,97'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1504,85'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1506,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1506,37'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1506,97'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1506,85'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1514,14'
          Dst:             _ZN9OpenBabel6OBAtom11IsConnectedEPS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1517,14'
          Dst:             _ZN9OpenBabel6OBAtom10IsOneThreeEPS0_
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        - Src:             'src/forcefields/forcefielduff.cpp:1487,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterppEv
        - Src:             'src/forcefields/forcefielduff.cpp:1487,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1531,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1531,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1531,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1531,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1531,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1531,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1531,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1531,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1531,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1531,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
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          Dst:             _ZN9OpenBabel15OBForceFieldUFF6E_BondILb1EEEdv
        - Src:             'src/forcefields/forcefielduff.h:169,43'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF6E_BondILb0EEEdv
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      argNames:
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      ICount:          23
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      CyclomaticComplexity: 3
      functionsReached:
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        - _ZN9OpenBabel15OBForceFieldUFF7E_AngleILb1EEEdv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel15OBForceFieldUFF7E_AngleILb1EEEdv
        - Src:             'src/forcefields/forcefielduff.h:175,44'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF7E_AngleILb0EEEdv
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      BranchProfiles:  []
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      BranchProfiles:  []
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:1831,31'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
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        - Src:             'src/forcefields/forcefielduff.cpp:1836,5'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1837,5'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1840,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:1840,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1935,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1935,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1841,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1844,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1844,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1844,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1846,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefielduff.cpp:1847,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefielduff.cpp:1847,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1847,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1849,122'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1849,140'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1849,153'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1849,166'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1850,24'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1850,37'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1850,50'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1850,59'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1850,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1850,77'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1849,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1851,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1854,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1854,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1854,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1857,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefielduff.cpp:1858,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefielduff.cpp:1858,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1858,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1860,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1860,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1860,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1861,24'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1861,37'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1861,50'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1861,59'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1861,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1861,77'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1860,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1862,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1863,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1863,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1863,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1867,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1867,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1867,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1870,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefielduff.cpp:1871,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefielduff.cpp:1871,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1871,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1873,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1873,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1873,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1874,24'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1874,37'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1874,50'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1874,59'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1874,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1874,77'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1873,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1875,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1876,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1876,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1876,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1880,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1880,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1880,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1883,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefielduff.cpp:1884,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefielduff.cpp:1884,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1884,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1886,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1886,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1886,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1887,24'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1887,37'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1887,50'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1887,59'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1887,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1887,77'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1886,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1888,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1890,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1890,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1890,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1894,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1894,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1894,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1897,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefielduff.cpp:1898,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefielduff.cpp:1898,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1898,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1900,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1900,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1900,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1901,24'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1901,37'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1901,50'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1901,59'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1901,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1901,77'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1900,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1902,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1908,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1908,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1908,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1911,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefielduff.cpp:1912,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefielduff.cpp:1912,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1912,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1914,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1914,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1914,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1915,24'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1915,37'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1915,50'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1915,59'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1915,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1915,77'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1914,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1916,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1917,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1917,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1917,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1921,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1921,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1921,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1924,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefielduff.cpp:1925,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefielduff.cpp:1925,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1925,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1927,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1927,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1927,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1928,24'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1928,37'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1928,50'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1928,59'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1928,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1928,77'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1927,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1929,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1930,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1930,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1930,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1935,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1935,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1935,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      functionLinenumberEnd: 577
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      argTypes:
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      argNames:
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      ICount:          162
      EdgeCount:       30
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        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel31OBFFElectrostaticCalculationUFF7ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:542,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:543,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:544,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:545,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:553,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:556,19'
          Dst:             _ZN9OpenBabel31OBFFElectrostaticCalculationUFF7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:560,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:561,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:565,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:565,102'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:565,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:567,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:572,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:573,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      functionLinenumber: 537
      functionLinenumberEnd: 577
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      argTypes:
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      argNames:
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      ICount:          150
      EdgeCount:       30
      CyclomaticComplexity: 9
      functionsReached:
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        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:543,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:544,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:545,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:553,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:556,19'
          Dst:             _ZN9OpenBabel31OBFFElectrostaticCalculationUFF7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:565,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:565,102'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:565,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:567,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:572,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:573,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel31OBFFElectrostaticCalculationUFF7ComputeILb0EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
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      functionLinenumberEnd: 533
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         11
      ICount:          67
      EdgeCount:       11
      CyclomaticComplexity: 2
      functionsReached:
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        - _ZN9OpenBabel6OBAtom11GetDistanceEPS0_
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:505,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefielduff.cpp:510,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:510,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:518,16'
          Dst:             _ZN9OpenBabel6OBAtom11GetDistanceEPS0_
        - Src:             'src/forcefields/forcefielduff.cpp:533,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:533,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:533,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:533,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel31OBFFElectrostaticCalculationUFF7ComputeILb1EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
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      functionLinenumberEnd: 533
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         13
      ICount:          91
      EdgeCount:       24
      CyclomaticComplexity: 13
      functionsReached:
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - _ZN9OpenBabel12OBForceField22VectorLengthDerivativeERNS_7vector3ES2_
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel7vector33GetEPd
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel7vector3aSERKS0_
        - _ZN9OpenBabel7vector3mLERKd
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:505,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefielduff.cpp:510,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:510,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:514,15'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefields/forcefielduff.cpp:514,10'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:515,15'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefields/forcefielduff.cpp:515,10'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:516,13'
          Dst:             _ZN9OpenBabel12OBForceField22VectorLengthDerivativeERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefielduff.cpp:533,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:533,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:528,10'
          Dst:             _ZN9OpenBabel7vector3mLERKd
        - Src:             'src/forcefields/forcefielduff.cpp:529,10'
          Dst:             _ZN9OpenBabel7vector3mLERKd
        - Src:             'src/forcefields/forcefielduff.cpp:530,10'
          Dst:             _ZN9OpenBabel7vector33GetEPd
        - Src:             'src/forcefields/forcefielduff.cpp:531,10'
          Dst:             _ZN9OpenBabel7vector33GetEPd
        - Src:             'src/forcefields/forcefielduff.cpp:533,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:533,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel15OBForceFieldUFF5E_VDWILb1EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 460
      functionLinenumberEnd: 500
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         23
      ICount:          162
      EdgeCount:       30
      CyclomaticComplexity: 9
      functionsReached:
        - _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel21OBFFVDWCalculationUFF7ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:465,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:466,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:467,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:468,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:476,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:479,19'
          Dst:             _ZN9OpenBabel21OBFFVDWCalculationUFF7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:483,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:484,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:488,81'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:488,100'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:488,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:490,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:495,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:496,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel15OBForceFieldUFF5E_VDWILb0EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 460
      functionLinenumberEnd: 500
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         23
      ICount:          150
      EdgeCount:       30
      CyclomaticComplexity: 9
      functionsReached:
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        - _ZN9OpenBabel21OBFFVDWCalculationUFF7ComputeILb0EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:465,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:466,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:467,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:468,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:476,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:479,19'
          Dst:             _ZN9OpenBabel21OBFFVDWCalculationUFF7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:488,81'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:488,100'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:488,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:490,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:495,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:496,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel21OBFFVDWCalculationUFF7ComputeILb0EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 413
      functionLinenumberEnd: 456
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         9
      ICount:          112
      EdgeCount:       11
      CyclomaticComplexity: 4
      functionsReached:
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:414,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefielduff.cpp:419,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:419,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:434,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:434,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:434,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:434,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:434,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:434,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:434,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:434,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:434,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:434,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:434,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:434,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:456,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:456,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      BranchProfiles:  []
      Callsites:
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        - Src:             'src/forcefields/forcefielduff.cpp:419,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:419,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:423,13'
          Dst:             _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
        - Src:             'src/forcefields/forcefielduff.cpp:456,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:456,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:453,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefielduff.cpp:454,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefielduff.cpp:456,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:456,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      functionLinenumberEnd: 409
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      argTypes:
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        - _ZN9OpenBabel21OBFFOOPCalculationUFF7ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:381,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:382,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:383,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:387,19'
          Dst:             _ZN9OpenBabel21OBFFOOPCalculationUFF7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:391,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:392,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:393,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:394,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:398,94'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:398,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:398,132'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:398,151'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:398,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:400,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:405,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:406,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      functionLinenumberEnd: 409
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      returnType:      double
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      argTypes:
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      argNames:
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      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
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        - _ZN9OpenBabel21OBFFOOPCalculationUFF7ComputeILb0EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
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      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:380,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:381,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:382,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:383,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:387,19'
          Dst:             _ZN9OpenBabel21OBFFOOPCalculationUFF7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:398,94'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:398,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:398,132'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:398,151'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:398,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:400,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:405,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:406,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      functionLinenumberEnd: 371
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      argTypes:
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      argNames:
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      BBCount:         23
      ICount:          151
      EdgeCount:       42
      CyclomaticComplexity: 21
      functionsReached:
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        - _ZN9OpenBabel16Point2PlaneAngleENS_7vector3ES0_S0_S0_
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel7vector3C2ERKS0_
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - cos
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:342,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - Src:             'src/forcefields/forcefielduff.cpp:347,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:347,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:347,21'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:347,25'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:365,46'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefields/forcefielduff.cpp:365,43'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:365,62'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefields/forcefielduff.cpp:365,59'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:365,78'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefields/forcefielduff.cpp:365,75'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:365,94'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefields/forcefielduff.cpp:365,91'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:365,26'
          Dst:             _ZN9OpenBabel16Point2PlaneAngleENS_7vector3ES0_S0_S0_
        - Src:             'src/forcefields/forcefielduff.cpp:365,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:365,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:365,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:365,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:365,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:365,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:365,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:365,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:370,32'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:370,50'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:371,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:371,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:371,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:371,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:371,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:371,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:371,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:371,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel21OBFFOOPCalculationUFF7ComputeILb1EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 341
      functionLinenumberEnd: 371
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
        - ''
      BBCount:         11
      ICount:          121
      EdgeCount:       11
      CyclomaticComplexity: 2
      functionsReached:
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        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - _ZN9OpenBabel12OBForceField19VectorOOPDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - cos
        - sin
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:342,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - Src:             'src/forcefields/forcefielduff.cpp:347,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:347,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:347,21'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:347,25'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:351,15'
          Dst:             _ZN9OpenBabel12OBForceField19VectorOOPDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
        - Src:             'src/forcefields/forcefielduff.cpp:371,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:371,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:371,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:371,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:359,23'
          Dst:             sin
        - Src:             'src/forcefields/forcefielduff.cpp:359,47'
          Dst:             sin
        - Src:             'src/forcefields/forcefielduff.cpp:360,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefielduff.cpp:361,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefielduff.cpp:362,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefielduff.cpp:363,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefielduff.cpp:370,32'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:370,50'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:371,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:371,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:371,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:371,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      linkageType:     InternalLinkage
      functionLinenumber: 292
      functionLinenumberEnd: 330
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
        - ''
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      ICount:          161
      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
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        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel25OBFFTorsionCalculationUFF7ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:297,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:298,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:299,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:300,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:305,19'
          Dst:             _ZN9OpenBabel25OBFFTorsionCalculationUFF7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:309,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:310,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:311,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:312,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:317,26'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:317,45'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:318,26'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:318,45'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:316,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:320,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:325,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:326,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel15OBForceFieldUFF9E_TorsionILb0EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 292
      functionLinenumberEnd: 330
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
        - ''
      BBCount:         18
      ICount:          137
      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel25OBFFTorsionCalculationUFF7ComputeILb0EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:297,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:298,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:299,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:300,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:305,19'
          Dst:             _ZN9OpenBabel25OBFFTorsionCalculationUFF7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:317,26'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:317,45'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:318,26'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:318,45'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:316,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:320,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:325,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:326,7'
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      Callsites:
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:261,15'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:261,20'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefields/forcefielduff.cpp:263,33'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:263,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:264,16'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefields/forcefielduff.cpp:264,33'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefields/forcefielduff.cpp:264,28'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:264,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:265,14'
          Dst:             _ZN9OpenBabel5crossERKNS_7vector3ES2_
        - Src:             'src/forcefields/forcefielduff.cpp:265,12'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:265,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:266,14'
          Dst:             _ZN9OpenBabel5crossERKNS_7vector3ES2_
        - Src:             'src/forcefields/forcefielduff.cpp:266,12'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:266,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:268,28'
          Dst:             _ZN9OpenBabel3dotERKNS_7vector3ES2_
        - Src:             'src/forcefields/forcefielduff.cpp:269,38'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/forcefields/forcefielduff.cpp:269,54'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/forcefields/forcefielduff.cpp:269,13'
          Dst:             acos
        - Src:             'src/forcefields/forcefielduff.cpp:276,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:276,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:276,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:276,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:276,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:278,14'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:288,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:288,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:288,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:288,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:276,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:276,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:276,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:276,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:276,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:288,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:288,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:288,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:288,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      functionLinenumberEnd: 288
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      ICount:          117
      EdgeCount:       11
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        - _ZN9OpenBabel12OBForceField23VectorTorsionDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
        - _ZN9OpenBabel7vector3C2Eddd
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        - sin
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - Src:             'src/forcefields/forcefielduff.cpp:250,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:250,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:250,21'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:250,25'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:255,13'
          Dst:             _ZN9OpenBabel12OBForceField23VectorTorsionDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
        - Src:             'src/forcefields/forcefielduff.cpp:288,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:288,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:288,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:288,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:278,14'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:282,33'
          Dst:             sin
        - Src:             'src/forcefields/forcefielduff.cpp:283,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefielduff.cpp:284,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefielduff.cpp:285,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefielduff.cpp:286,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefielduff.cpp:288,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:288,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:288,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:288,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      functionLinenumberEnd: 240
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      argTypes:
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      ICount:          157
      EdgeCount:       23
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      functionsReached:
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        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel23OBFFAngleCalculationUFF7ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - snprintf
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:212,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:213,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:214,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:219,19'
          Dst:             _ZN9OpenBabel23OBFFAngleCalculationUFF7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:223,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:224,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:225,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:229,104'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:229,123'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:230,26'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:229,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:231,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:236,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:237,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      linkageType:     InternalLinkage
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      functionLinenumberEnd: 240
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      ICount:          139
      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
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        - _ZN9OpenBabel23OBFFAngleCalculationUFF7ComputeILb0EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:212,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:213,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:214,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:219,19'
          Dst:             _ZN9OpenBabel23OBFFAngleCalculationUFF7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:229,104'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:229,123'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:230,26'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:229,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:231,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:236,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:237,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      linkageType:     InternalLinkage
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      functionLinenumberEnd: 202
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      argTypes:
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      constantsTouched: []
      argNames:
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      ICount:          158
      EdgeCount:       37
      CyclomaticComplexity: 20
      functionsReached:
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        - _ZN9OpenBabel6OBAtom8GetAngleEPS0_S1_
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
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      BranchProfiles:
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          Branch Sides:    []
      Callsites:
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          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiii
        - Src:             'src/forcefields/forcefielduff.cpp:124,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:124,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:124,21'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:139,18'
          Dst:             _ZN9OpenBabel6OBAtom8GetAngleEPS0_S1_
        - Src:             'src/forcefields/forcefielduff.cpp:202,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:202,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:202,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:150,26'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:158,26'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:158,42'
          Dst:             exp
        - Src:             'src/forcefields/forcefielduff.cpp:166,14'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:170,14'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:202,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:202,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:202,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 118
      functionLinenumberEnd: 202
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      ICount:          308
      EdgeCount:       78
      CyclomaticComplexity: 39
      functionsReached:
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        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - _ZN9OpenBabel12OBForceField21VectorAngleDerivativeEPdS1_S1_S1_S1_S1_
        - _ZN9OpenBabel7vector316randomUnitVectorEv
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - _ZNK9OpenBabel7vector3ixEj
        - cos
        - exp
        - sin
      functionUses:    1
      BranchProfiles:
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          Branch Sides:    []
        - Branch String:   'src/forcefields/forcefielduff.cpp:177,7'
          Branch Sides:    []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:119,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiii
        - Src:             'src/forcefields/forcefielduff.cpp:124,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:124,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:124,21'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:128,15'
          Dst:             _ZN9OpenBabel12OBForceField21VectorAngleDerivativeEPdS1_S1_S1_S1_S1_
        - Src:             'src/forcefields/forcefielduff.cpp:132,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:133,12'
          Dst:             _ZN9OpenBabel7vector316randomUnitVectorEv
        - Src:             'src/forcefields/forcefielduff.cpp:135,25'
          Dst:             _ZNK9OpenBabel7vector3ixEj
        - Src:             'src/forcefields/forcefielduff.cpp:135,25'
          Dst:             _ZNK9OpenBabel7vector3ixEj
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          Dst:             _ZNK9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:1243,53'
          Dst:             _ZNK9OpenBabel7vector31yEv
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          Dst:             _ZNK9OpenBabel7vector31yEv
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/depict/depict.cpp:1227,3'
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          Dst:             _ZN9OpenBabel7vector3dVERKd
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          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
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          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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          Dst:             _ZN9OpenBabel7vector3pLERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:334,28'
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        - Src:             'src/depict/depict.cpp:0,0'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/depict/depict.cpp:341,31'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
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          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
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        - Src:             'src/depict/depict.cpp:351,37'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/depict/depict.cpp:351,18'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
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      ICount:          12
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      ICount:          432
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          Dst:             _ZN9OpenBabel7vector39normalizeEv
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          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
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          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:878,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3pLERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:884,9'
          Dst:             _ZN9OpenBabel15OBDepictPrivate8HasLabelEPNS_6OBAtomE
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        - Src:             'src/depict/depict.cpp:885,11'
          Dst:             _ZN9OpenBabel7vector3mIERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:886,29'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:886,40'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:886,49'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:886,58'
          Dst:             _ZN9OpenBabel7vector31yEv
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          Dst:             _ZN9OpenBabel15OBDepictPrivate8HasLabelEPNS_6OBAtomE
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          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
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          Dst:             _ZN9OpenBabel7vector3mIERKS0_
        - Src:             'src/depict/depict.cpp:889,7'
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        - Src:             'src/depict/depict.cpp:385,18'
          Dst:             _ZN9OpenBabel5OBMolC2ERKS0_
        - Src:             'src/depict/depict.cpp:398,5'
          Dst:             _ZN9OpenBabel20TetStereoToWedgeHashERNS_5OBMolERNSt3__13mapIPNS_6OBBondENS_8OBStereo13BondDirectionENS2_4lessIS5_EENS2_9allocatorINS2_4pairIKS5_S7_EEEEEERNS3_IS5_mS9_NSA_INSB_ISC_mEEEEEE
        - Src:             'src/depict/depict.cpp:400,13'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/depict/depict.cpp:403,32'
          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/depict/depict.cpp:405,61'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/depict/depict.cpp:407,15'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/depict/depict.cpp:404,32'
          Dst:             _ZNK9OpenBabel6OBBond9GetLengthEv
        - Src:             'src/depict/depict.cpp:403,64'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/depict/depict.cpp:409,22'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/depict/depict.cpp:415,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/depict/depict.cpp:417,29'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/depict/depict.cpp:418,25'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/depict/depict.cpp:418,17'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/depict/depict.cpp:419,32'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/depict/depict.cpp:421,46'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/depict/depict.cpp:421,32'
          Dst:             _ZNK9OpenBabel7vector36distSqERKS0_
        - Src:             'src/depict/depict.cpp:428,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:419,70'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/depict/depict.cpp:417,64'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/depict/depict.cpp:427,29'
          Dst:             sqrt
        - Src:             'src/depict/depict.cpp:428,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:430,27'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/depict/depict.cpp:431,31'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/depict/depict.cpp:431,51'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/depict/depict.cpp:431,69'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/depict/depict.cpp:431,15'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
        - Src:             'src/depict/depict.cpp:430,62'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/depict/depict.cpp:437,22'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/depict/depict.cpp:439,31'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/depict/depict.cpp:440,31'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/depict/depict.cpp:441,31'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/depict/depict.cpp:442,29'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/depict/depict.cpp:443,41'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/depict/depict.cpp:444,41'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/depict/depict.cpp:445,41'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/depict/depict.cpp:446,41'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/depict/depict.cpp:447,41'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/depict/depict.cpp:448,41'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/depict/depict.cpp:442,63'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/depict/depict.cpp:458,27'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/depict/depict.cpp:459,31'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/depict/depict.cpp:459,62'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/depict/depict.cpp:459,93'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/depict/depict.cpp:459,15'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
        - Src:             'src/depict/depict.cpp:458,62'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/depict/depict.cpp:478,37'
          Dst:             _ZN9OpenBabel5OBMol7GetSSSREv
        - Src:             'src/depict/depict.cpp:479,14'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/depict/depict.cpp:497,33'
          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/depict/depict.cpp:484,33'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/depict/depict.cpp:0,0'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/depict/depict.cpp:491,36'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/depict/depict.cpp:492,38'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/depict/depict.cpp:492,19'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/depict/depict.cpp:531,14'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/depict/depict.cpp:498,29'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/depict/depict.cpp:499,27'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/depict/depict.cpp:500,48'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/depict/depict.cpp:501,47'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/depict/depict.cpp:501,33'
          Dst:             _ZN9OpenBabel7OBColorC2ERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/depict/depict.cpp:507,30'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/depict/depict.cpp:507,44'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/depict/depict.cpp:518,42'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/depict/depict.cpp:518,27'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/depict/depict.cpp:520,24'
          Dst:             _ZN9OpenBabel14OBStereoFacadeC2EPNS_5OBMolEb
        - Src:             'src/depict/depict.cpp:521,40'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/depict/depict.cpp:521,16'
          Dst:             _ZN9OpenBabel14OBStereoFacade17HasCisTransStereoEm
        - Src:             'src/depict/depict.cpp:522,61'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/depict/depict.cpp:522,37'
          Dst:             _ZN9OpenBabel14OBStereoFacade17GetCisTransStereoEm
        - Src:             'src/depict/depict.cpp:523,20'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - Src:             'src/depict/depict.cpp:523,15'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/depict/depict.cpp:526,45'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/depict/depict.cpp:527,7'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
        - Src:             'src/depict/depict.cpp:527,7'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
        - Src:             'src/depict/depict.cpp:497,68'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/depict/depict.cpp:536,17'
          Dst:             _ZN9OpenBabel6OBRing10IsAromaticEv
        - Src:             'src/depict/depict.cpp:549,32'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/depict/depict.cpp:542,18'
          Dst:             _ZN9OpenBabel6OBRing10IsAromaticEv
        - Src:             'src/depict/depict.cpp:551,48'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/depict/depict.cpp:551,60'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/depict/depict.cpp:549,69'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/depict/depict.cpp:558,24'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/depict/depict.cpp:559,24'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/depict/depict.cpp:564,23'
          Dst:             _ZN9OpenBabel17GetLabelAlignmentEPNS_6OBAtomE
        - Src:             'src/depict/depict.cpp:574,48'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/depict/depict.cpp:575,47'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/depict/depict.cpp:575,33'
          Dst:             _ZN9OpenBabel7OBColorC2ERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/depict/depict.cpp:580,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/depict/depict.cpp:580,9'
          Dst:             _ZN9OpenBabel10OBElements6GetRGBEjPdS1_S1_
        - Src:             'src/depict/depict.cpp:581,33'
          Dst:             _ZN9OpenBabel7OBColorC2Edddd
        - Src:             'src/depict/depict.cpp:585,26'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/depict/depict.cpp:586,25'
          Dst:             _ZN9OpenBabelL17AssignRadicalDotsEPNS_6OBAtomE
        - Src:             'src/depict/depict.cpp:589,29'
          Dst:             _ZN9OpenBabel15OBDepictPrivate8HasLabelEPNS_6OBAtomE
        - Src:             'src/depict/depict.cpp:621,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/depict/depict.cpp:624,21'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/depict/depict.cpp:626,22'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/depict/depict.cpp:636,33'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEj
        - Src:             'src/depict/depict.cpp:637,44'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEj
        - Src:             'src/depict/depict.cpp:638,21'
          Dst:             _ZNK9OpenBabel9AliasData10IsExpandedEv
        - Src:             'src/depict/depict.cpp:640,18'
          Dst:             _ZNK9OpenBabel9AliasData8GetAliasEb
        - Src:             'src/depict/depict.cpp:641,35'
          Dst:             _ZNK9OpenBabel9AliasData8GetColorEv
        - Src:             'src/depict/depict.cpp:641,60'
          Dst:             _ZNK9OpenBabel9AliasData8GetColorEv
        - Src:             'src/depict/depict.cpp:641,56'
          Dst:             _ZN9OpenBabel7OBColorC2ERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/depict/depict.cpp:648,19'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/depict/depict.cpp:649,39'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/depict/depict.cpp:651,37'
          Dst:             __dynamic_cast
        - Src:             'src/depict/depict.cpp:656,41'
          Dst:             _ZN9OpenBabel7OBColorC2ERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/depict/depict.cpp:666,18'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/depict/depict.cpp:666,66'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/depict/depict.cpp:667,30'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/depict/depict.cpp:669,52'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/depict/depict.cpp:669,24'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/depict/depict.cpp:671,37'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/depict/depict.cpp:689,45'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/depict/depict.cpp:689,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:689,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:693,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/depict/depict.cpp:693,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/depict/depict.cpp:693,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/depict/depict.cpp:693,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel17GetLabelAlignmentEPNS_6OBAtomE
      functionSourceFile: '/src/openbabel/src/depict/depict.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 244
      functionLinenumberEnd: 266
      functionDepth:   0
      returnType:      int
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         25
      ICount:          110
      EdgeCount:       49
      CyclomaticComplexity: 26
      functionsReached:
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel7vector31xEv
        - _ZN9OpenBabel7vector31yEv
        - _ZN9OpenBabel7vector3C2ERKS0_
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel7vector3pLERKS0_
        - _ZN9OpenBabelmiERKNS_7vector3ES2_
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/depict/depict.cpp:246,13'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/depict/depict.cpp:248,30'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/depict/depict.cpp:253,16'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/depict/depict.cpp:249,26'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/depict/depict.cpp:249,45'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/depict/depict.cpp:249,38'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/depict/depict.cpp:249,17'
          Dst:             _ZN9OpenBabel7vector3pLERKS0_
        - Src:             'src/depict/depict.cpp:249,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:248,64'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/depict/depict.cpp:266,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:253,60'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:253,81'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:254,21'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:259,21'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:266,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel8OBDepict13AddAtomLabelsENS0_13AtomLabelTypeE
      functionSourceFile: '/src/openbabel/src/depict/depict.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 294
      functionLinenumberEnd: 322
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         45
      ICount:          278
      EdgeCount:       75
      CyclomaticComplexity: 32
      functionsReached:
        - _ZN9OpenBabel15GetAtomSymClassEPNS_6OBAtomE
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel7OBColorC2ERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel7vector31xEv
        - _ZN9OpenBabel7vector31yEv
        - _ZN9OpenBabel7vector3C2ERKS0_
        - _ZN9OpenBabel7vector3D2Ev
        - _ZNK9OpenBabel6OBAtom5GetIdEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel8OBDepict11GetFontSizeEb
      functionUses:    1
      BranchProfiles:
        - Branch String:   'src/depict/depict.cpp:302,7'
          Branch Sides:    []
      Callsites:
        - Src:             'src/depict/depict.cpp:295,29'
          Dst:             _ZN9OpenBabel7OBColorC2ERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/depict/depict.cpp:296,30'
          Dst:             _ZN9OpenBabel7OBColorC2ERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/depict/depict.cpp:297,35'
          Dst:             _ZNK9OpenBabel8OBDepict11GetFontSizeEb
        - Src:             'src/depict/depict.cpp:299,33'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/depict/depict.cpp:300,25'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/depict/depict.cpp:300,15'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/depict/depict.cpp:304,23'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/depict/depict.cpp:305,36'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:305,45'
          Dst:             _ZN9OpenBabel7vector31yEv
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereo9SetConfigERKNS0_6ConfigE
        - Src:             'src/stereo/perception.cpp:2996,7'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/stereo/perception.cpp:2996,7'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
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      functionLinenumberEnd: 2969
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      returnType:      void
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      argTypes:
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      constantsTouched: []
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      BBCount:         29
      ICount:          138
      EdgeCount:       54
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        - _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
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      BranchProfiles:  []
      Callsites:
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        - Src:             'src/stereo/perception.cpp:2961,32'
          Dst:             __dynamic_cast
        - Src:             'src/stereo/perception.cpp:2962,44'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - Src:             'src/stereo/perception.cpp:2964,46'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2964,74'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2964,34'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
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        - Src:             'src/stereo/perception.cpp:2967,7'
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      constantsTouched: []
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      ICount:          1238
      EdgeCount:       500
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        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
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        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom5GetIdEv
        - _ZNK9OpenBabel6OBAtom8IsInRingEv
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        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
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      BranchProfiles:  []
      Callsites:
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        - Src:             'src/stereo/perception.cpp:2794,39'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEj
        - Src:             'src/stereo/perception.cpp:2787,35'
          Dst:             __dynamic_cast
        - Src:             'src/stereo/perception.cpp:2788,47'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/stereo/perception.cpp:2790,7'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/stereo/perception.cpp:2790,7'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/stereo/perception.cpp:2797,35'
          Dst:             __dynamic_cast
        - Src:             'src/stereo/perception.cpp:2798,47'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/stereo/perception.cpp:2802,32'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2803,42'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/stereo/perception.cpp:2803,34'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2808,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:2808,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:2808,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:2808,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:2808,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:2808,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:2808,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:2815,43'
          Dst:             _ZN9OpenBabel6OBAtom8GetAngleEPS0_S1_
        - Src:             'src/stereo/perception.cpp:2818,36'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/stereo/perception.cpp:2819,36'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/stereo/perception.cpp:2841,11'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:2841,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/stereo/perception.cpp:2841,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/stereo/perception.cpp:2844,30'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:2845,28'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/stereo/perception.cpp:2847,21'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/stereo/perception.cpp:2848,18'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/stereo/perception.cpp:2853,38'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2859,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/stereo/perception.cpp:2861,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/stereo/perception.cpp:2873,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/stereo/perception.cpp:2883,52'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigC2ERKS1_
        - Src:             'src/stereo/perception.cpp:2902,50'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:2902,70'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2891,28'
          Dst:             _ZN9OpenBabel22OBTetraNonPlanarStereo8ToConfigINS_19OBTetrahedralStereo6ConfigEEET_RKS4_mNS_8OBStereo7WindingENS7_4ViewE
        - Src:             'src/stereo/perception.cpp:2891,26'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigaSEOS1_
        - Src:             'src/stereo/perception.cpp:2891,17'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/stereo/perception.cpp:2902,50'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:2902,70'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2906,47'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2906,78'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/stereo/perception.cpp:2906,43'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2906,91'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2906,23'
          Dst:             _ZN9OpenBabel10OBUnitCell19UnwrapCartesianNearENS_7vector3ES1_
        - Src:             'src/stereo/perception.cpp:2907,47'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2907,78'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/stereo/perception.cpp:2907,43'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2907,91'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2907,23'
          Dst:             _ZN9OpenBabel10OBUnitCell19UnwrapCartesianNearENS_7vector3ES1_
        - Src:             'src/stereo/perception.cpp:2908,47'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2908,78'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/stereo/perception.cpp:2908,43'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2908,91'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2908,23'
          Dst:             _ZN9OpenBabel10OBUnitCell19UnwrapCartesianNearENS_7vector3ES1_
        - Src:             'src/stereo/perception.cpp:2905,39'
          Dst:             _ZN9OpenBabel10AngleOrderERKNS_7vector3ES2_S2_S2_
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2912,54'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2912,85'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/stereo/perception.cpp:2913,23'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2913,54'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/stereo/perception.cpp:2913,71'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2913,102'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/stereo/perception.cpp:2914,27'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/stereo/perception.cpp:2912,39'
          Dst:             _ZN9OpenBabel10AngleOrderERKNS_7vector3ES2_S2_S2_
        - Src:             'src/stereo/perception.cpp:2916,43'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2916,86'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2916,30'
          Dst:             _ZN9OpenBabel8GetAngleEPNS_6OBAtomES1_S1_
        - Src:             'src/stereo/perception.cpp:2925,74'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:2925,94'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2925,26'
          Dst:             _ZN9OpenBabel22OBTetraNonPlanarStereo8ToConfigINS_19OBTetrahedralStereo6ConfigEEET_RKS4_mNS_8OBStereo7WindingENS7_4ViewE
        - Src:             'src/stereo/perception.cpp:2925,24'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigaSEOS1_
        - Src:             'src/stereo/perception.cpp:2925,15'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/stereo/perception.cpp:2928,47'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2928,78'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/stereo/perception.cpp:2928,43'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2928,91'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2928,23'
          Dst:             _ZN9OpenBabel10OBUnitCell19UnwrapCartesianNearENS_7vector3ES1_
        - Src:             'src/stereo/perception.cpp:2929,47'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2929,78'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/stereo/perception.cpp:2929,43'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2929,91'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2929,23'
          Dst:             _ZN9OpenBabel10OBUnitCell19UnwrapCartesianNearENS_7vector3ES1_
        - Src:             'src/stereo/perception.cpp:2930,47'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2930,78'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/stereo/perception.cpp:2930,43'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2930,91'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2930,23'
          Dst:             _ZN9OpenBabel10OBUnitCell19UnwrapCartesianNearENS_7vector3ES1_
        - Src:             'src/stereo/perception.cpp:2927,39'
          Dst:             _ZN9OpenBabel10AngleOrderERKNS_7vector3ES2_S2_S2_
        - Src:             'src/stereo/perception.cpp:2927,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2927,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2927,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2927,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2927,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2927,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2927,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2927,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2927,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2927,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2927,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2927,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2927,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2927,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2927,17'
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          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:2720,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:2721,18'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2721,36'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
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          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2724,33'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
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          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:2720,7'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:2736,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/stereo/perception.cpp:2737,14'
          Dst:             _ZN9OpenBabel6OBAtom16GetNewBondVectorERNS_7vector3Ed
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2739,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      BranchProfiles:  []
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          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2227,36'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2231,35'
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        - Src:             'src/stereo/perception.cpp:2231,56'
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        - Src:             'src/stereo/perception.cpp:2225,18'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2225,34'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2227,36'
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        - Src:             'src/stereo/perception.cpp:2229,61'
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        - Src:             'src/stereo/perception.cpp:2229,82'
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        - Src:             'src/stereo/perception.cpp:2236,16'
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        - Src:             'src/stereo/perception.cpp:2239,11'
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2247,9'
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        - Src:             'src/stereo/perception.cpp:2247,9'
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        - Src:             'src/stereo/perception.cpp:2247,9'
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        - Src:             'src/stereo/perception.cpp:2253,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2253,11'
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          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:2248,7'
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        - Src:             'src/stereo/perception.cpp:2260,14'
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        - Src:             'src/stereo/perception.cpp:2262,11'
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        - Src:             'src/stereo/perception.cpp:2262,11'
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        - Src:             'src/stereo/perception.cpp:2262,11'
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        - Src:             'src/stereo/perception.cpp:2265,7'
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        - Src:             'src/stereo/perception.cpp:2283,9'
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      functionLinenumberEnd: 2198
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      constantsTouched: []
      argNames:
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      ICount:          673
      EdgeCount:       284
      CyclomaticComplexity: 132
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        - _ZN9OpenBabel19OBTetrahedralStereoC2EPNS_5OBMolE
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
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        - _ZN9OpenBabel6OBBase7GetDataEj
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        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
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      BranchProfiles:  []
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          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2117,19'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/stereo/perception.cpp:2120,29'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/stereo/perception.cpp:2121,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigC2Ev
        - Src:             'src/stereo/perception.cpp:2127,7'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:2127,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:2139,27'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2127,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:2129,30'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2131,38'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2127,7'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:2127,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:2140,27'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/stereo/perception.cpp:2141,17'
          Dst:             _ZNK9OpenBabel6OBBond13IsWedgeOrHashEv
        - Src:             'src/stereo/perception.cpp:2141,42'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:2144,38'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/stereo/perception.cpp:2144,30'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2147,59'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/stereo/perception.cpp:2147,53'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2147,72'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2147,33'
          Dst:             _ZN9OpenBabel10OBUnitCell19UnwrapCartesianNearENS_7vector3ES1_
        - Src:             'src/stereo/perception.cpp:2147,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2147,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2147,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2147,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2147,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2147,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2149,35'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/stereo/perception.cpp:2151,28'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2153,60'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/stereo/perception.cpp:2153,55'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2153,73'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/stereo/perception.cpp:2153,35'
          Dst:             _ZN9OpenBabel10OBUnitCell19UnwrapCartesianNearENS_7vector3ES1_
        - Src:             'src/stereo/perception.cpp:2153,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2153,11'
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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        - _ZNK9OpenBabel6OBAtom5GetIdEv
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        - _ZNK9OpenBabel6OBBond5GetIdEv
        - _ZNK9OpenBabel6OBRing4SizeEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
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          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
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        - Src:             'src/stereo/perception.cpp:1962,9'
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
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        - Src:             'src/stereo/perception.cpp:1963,57'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
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          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/stereo/perception.cpp:1964,53'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1967,24'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
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          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
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          Dst:             _ZN9OpenBabel6OBBase10DeleteDataEPNS_13OBGenericDataE
        - Src:             'src/stereo/perception.cpp:1981,7'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/stereo/perception.cpp:1981,7'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/stereo/perception.cpp:1990,27'
          Dst:             _ZNK9OpenBabel5OBMol11GetBondByIdEm
        - Src:             'src/stereo/perception.cpp:1993,32'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigC2Ev
        - Src:             'src/stereo/perception.cpp:1997,22'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - Src:             'src/stereo/perception.cpp:1997,16'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigaSEOS1_
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/stereo/perception.cpp:2001,31'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:2002,29'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/stereo/perception.cpp:2006,31'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2007,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:2007,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:2007,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:2007,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:2008,20'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2008,36'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2010,38'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2007,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:2007,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:2016,27'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2017,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:2017,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:2017,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:2017,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:2017,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:2018,20'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2018,38'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
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          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:2017,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:2017,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:2026,18'
          Dst:             _ZN9OpenBabel16OBCisTransStereoC2EPNS_5OBMolE
        - Src:             'src/stereo/perception.cpp:2027,13'
          Dst:             _ZN9OpenBabel16OBCisTransStereo9SetConfigERKNS0_6ConfigE
        - Src:             'src/stereo/perception.cpp:2033,28'
          Dst:             _ZNK9OpenBabel6OBBond16FindSmallestRingEv
        - Src:             'src/stereo/perception.cpp:2034,25'
          Dst:             _ZNK9OpenBabel6OBRing4SizeEv
        - Src:             'src/stereo/perception.cpp:2039,80'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2039,66'
          Dst:             _ZN9OpenBabel6OBRing8IsMemberEPNS_6OBAtomE
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          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:2039,66'
          Dst:             _ZN9OpenBabel6OBRing8IsMemberEPNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:2044,18'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo5IsCisEmm
        - Src:             'src/stereo/perception.cpp:2048,13'
          Dst:             _ZN9OpenBabel16OBCisTransStereo9SetConfigERKNS0_6ConfigE
        - Src:             'src/stereo/perception.cpp:2054,14'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/stereo/perception.cpp:2056,5'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/stereo/perception.cpp:2056,5'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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      ICount:          530
      EdgeCount:       210
      CyclomaticComplexity: 103
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        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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        - _ZNK9OpenBabel6OBAtom5GetIdEv
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        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
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        - Src:             'src/stereo/perception.cpp:1911,35'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigC2Ev
        - Src:             'src/stereo/perception.cpp:1914,7'
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:1914,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:1914,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:1914,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:1916,30'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1918,38'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1914,7'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:1914,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereoC2EPNS_5OBMolE
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        - Src:             'src/stereo/perception.cpp:1930,14'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/stereo/perception.cpp:1931,5'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/stereo/perception.cpp:1931,5'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
    - functionName:    _ZN9OpenBabel12FindSymmetryEPNS_5OBMolE
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      constantsTouched: []
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      ICount:          29
      EdgeCount:       8
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      functionsReached:
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        - _ZN9OpenBabel10OBGraphSymD2Ev
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel10OBGraphSym11GetSymmetryERNSt3__16vectorIjNS1_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1837,3'
          Dst:             _ZN9OpenBabel10OBGraphSymD2Ev
        - Src:             'src/stereo/perception.cpp:1837,3'
          Dst:             _ZN9OpenBabel10OBGraphSymD2Ev
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      argNames:
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      BBCount:         54
      ICount:          205
      EdgeCount:       101
      CyclomaticComplexity: 49
      functionsReached:
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        - _ZN9OpenBabel14StereoInverted5EntryC2Ev
        - _ZN9OpenBabel14StereoInverted5EntryD2Ev
        - _ZN9OpenBabel15CanonicalLabelsEPNS_5OBMolERKNSt3__16vectorIjNS2_9allocatorIjEEEERS6_RKNS_8OBBitVecEib
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        - _ZN9OpenBabel22isPotentialTetrahedralEPNS_6OBAtomE
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        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel8OBBitVecC2Ev
        - _ZN9OpenBabel8OBBitVecD2Ev
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/stereo/perception.cpp:1398,54'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/stereo/perception.cpp:1398,7'
          Dst:             _ZN9OpenBabel15CanonicalLabelsEPNS_5OBMolERKNSt3__16vectorIjNS2_9allocatorIjEEEERS6_RKNS_8OBBitVecEib
        - Src:             'src/stereo/perception.cpp:1398,7'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/stereo/perception.cpp:1398,7'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/stereo/perception.cpp:1405,15'
          Dst:             _ZN9OpenBabel14StereoInverted5EntryC2Ev
        - Src:             'src/stereo/perception.cpp:1412,34'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/stereo/perception.cpp:1423,34'
          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/stereo/perception.cpp:1414,16'
          Dst:             _ZN9OpenBabel22isPotentialTetrahedralEPNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:1417,15'
          Dst:             _ZN9OpenBabel14StereoInverted35permutationInvertsTetrahedralCenterERKNSt3__16vectorINS1_4pairIjjEENS1_9allocatorIS4_EEEEPNS_6OBAtomERKNS2_IjNS5_IjEEEESF_
        - Src:             'src/stereo/perception.cpp:1412,67'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/stereo/perception.cpp:1425,16'
          Dst:             _ZN9OpenBabel19isPotentialCisTransEPNS_6OBBondE
        - Src:             'src/stereo/perception.cpp:1428,15'
          Dst:             _ZN9OpenBabel14StereoInverted32permutationInvertsCisTransCenterERKNSt3__16vectorINS1_4pairIjjEENS1_9allocatorIS4_EEEEPNS_6OBBondERKNS2_IjNS5_IjEEEE
        - Src:             'src/stereo/perception.cpp:1423,67'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/stereo/perception.cpp:1456,7'
          Dst:             _ZN9OpenBabel14StereoInverted5EntryD2Ev
        - Src:             'src/stereo/perception.cpp:1456,7'
          Dst:             _ZN9OpenBabel14StereoInverted5EntryD2Ev
    - functionName:    _ZN9OpenBabel22isPotentialTetrahedralEPNS_6OBAtomE
      functionSourceFile: '/src/openbabel/src/stereo/perception.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 138
      functionLinenumberEnd: 163
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         47
      ICount:          225
      EdgeCount:       65
      CyclomaticComplexity: 20
      functionsReached:
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom6GetHybEv
        - _ZNK9OpenBabel6OBAtom8IsInRingEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
      functionUses:    3
      BranchProfiles:  []
      Callsites:
        - Src:             'src/stereo/perception.cpp:140,16'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/stereo/perception.cpp:140,41'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/stereo/perception.cpp:140,64'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/stereo/perception.cpp:141,18'
          Dst:             _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - Src:             'src/stereo/perception.cpp:141,48'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/stereo/perception.cpp:141,76'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/stereo/perception.cpp:144,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/stereo/perception.cpp:144,63'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/stereo/perception.cpp:146,7'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:146,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:146,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:146,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:146,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:147,18'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/stereo/perception.cpp:146,7'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:146,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:153,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/stereo/perception.cpp:154,17'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/stereo/perception.cpp:156,7'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:156,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:156,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:156,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:156,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:157,18'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/stereo/perception.cpp:157,47'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/stereo/perception.cpp:156,7'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:156,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
    - functionName:    _ZN9OpenBabel19isPotentialCisTransEPNS_6OBBondE
      functionSourceFile: '/src/openbabel/src/stereo/perception.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 174
      functionLinenumberEnd: 186
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         20
      ICount:          80
      EdgeCount:       28
      CyclomaticComplexity: 10
      functionsReached:
        - _ZN9OpenBabel6OBAtom13HasSingleBondEv
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel6OBBond8IsInRingEv
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/stereo/perception.cpp:175,15'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/stereo/perception.cpp:177,15'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/stereo/perception.cpp:179,16'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:179,32'
          Dst:             _ZN9OpenBabel6OBAtom13HasSingleBondEv
        - Src:             'src/stereo/perception.cpp:179,58'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/stereo/perception.cpp:179,72'
          Dst:             _ZN9OpenBabel6OBAtom13HasSingleBondEv
        - Src:             'src/stereo/perception.cpp:181,15'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:181,31'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/stereo/perception.cpp:181,60'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/stereo/perception.cpp:181,74'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/stereo/perception.cpp:183,15'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:183,31'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/stereo/perception.cpp:183,59'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/stereo/perception.cpp:183,73'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
    - functionName:    _ZN9OpenBabel20FindStereogenicUnitsEPNS_5OBMolERKNSt3__16vectorIjNS2_9allocatorIjEEEERKNS3_INS3_INS2_4pairIjjEENS4_ISA_EEEENS4_ISC_EEEE
      functionSourceFile: '/src/openbabel/src/stereo/perception.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1608
      functionLinenumberEnd: 1823
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         197
      ICount:          863
      EdgeCount:       387
      CyclomaticComplexity: 192
      functionsReached:
        - _ZN9OpenBabel10mergeRingsEPNS_5OBMolERKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - _ZN9OpenBabel14StereoInverted7computeEPNS_5OBMolERKNSt3__16vectorIjNS3_9allocatorIjEEEERKNS4_INS4_INS3_4pairIjjEENS5_ISB_EEEENS5_ISD_EEEE
        - _ZN9OpenBabel19isPotentialCisTransEPNS_6OBBondE
        - _ZN9OpenBabel19mayHaveCisTransBondEPNS_5OBMolE
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel22isPotentialTetrahedralEPNS_6OBAtomE
        - _ZN9OpenBabel24mayHaveTetrahedralCenterEPNS_5OBMolE
        - _ZN9OpenBabel25findAtomWithSymmetryClassEPNS_6OBAtomEjRKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - _ZN9OpenBabel27containsAtLeast_1true_1paraEPNS_6OBAtomES1_RKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEE
        - _ZN9OpenBabel27containsAtLeast_1true_2paraEPNS_6OBAtomES1_RKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEE
        - _ZN9OpenBabel27findDuplicatedSymmetryClassEPNS_6OBAtomERKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - _ZN9OpenBabel29classifyCisTransNbrSymClassesERKNSt3__16vectorIjNS0_9allocatorIjEEEEPNS_6OBBondEPNS_6OBAtomE
        - _ZN9OpenBabel29findDuplicatedSymmetryClassesEPNS_6OBAtomERKNSt3__16vectorIjNS2_9allocatorIjEEEERjS9_
        - _ZN9OpenBabel32classifyTetrahedralNbrSymClassesERKNSt3__16vectorIjNS0_9allocatorIjEEEEPNS_6OBAtomE
        - _ZN9OpenBabel37containsAtLeast_2true_2paraAssembliesEPNS_6OBAtomES1_RKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEERKNS3_INS_8OBBitVecENS5_ISA_EEEE
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom5GetIdEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - _ZNK9OpenBabel6OBBond5GetIdEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
      functionUses:    0
      BranchProfiles:
        - Branch String:   'src/stereo/perception.cpp:1677,11'
          Branch Sides:    []
      Callsites:
        - Src:             'src/stereo/perception.cpp:1612,10'
          Dst:             _ZN9OpenBabel24mayHaveTetrahedralCenterEPNS_5OBMolE
        - Src:             'src/stereo/perception.cpp:1612,44'
          Dst:             _ZN9OpenBabel19mayHaveCisTransBondEPNS_5OBMolE
        - Src:             'src/stereo/perception.cpp:1616,35'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/stereo/perception.cpp:1621,51'
          Dst:             _ZN9OpenBabel14StereoInverted7computeEPNS_5OBMolERKNSt3__16vectorIjNS3_9allocatorIjEEEERKNS4_INS4_INS3_4pairIjjEENS5_ISB_EEEENS5_ISD_EEEE
        - Src:             'src/stereo/perception.cpp:1623,41'
          Dst:             _ZN9OpenBabel10mergeRingsEPNS_5OBMolERKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1629,32'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/stereo/perception.cpp:1717,32'
          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/stereo/perception.cpp:1630,65'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1633,14'
          Dst:             _ZN9OpenBabel22isPotentialTetrahedralEPNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:1653,30'
          Dst:             _ZN9OpenBabel32classifyTetrahedralNbrSymClassesERKNSt3__16vectorIjNS0_9allocatorIjEEEEPNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:1662,69'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1662,27'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/stereo/perception.cpp:1663,37'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1680,51'
          Dst:             _ZN9OpenBabel27findDuplicatedSymmetryClassEPNS_6OBAtomERKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1681,38'
          Dst:             _ZN9OpenBabel25findAtomWithSymmetryClassEPNS_6OBAtomEjRKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1682,21'
          Dst:             _ZN9OpenBabel27containsAtLeast_1true_2paraEPNS_6OBAtomES1_RKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEE
        - Src:             'src/stereo/perception.cpp:1683,77'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1683,35'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/stereo/perception.cpp:1684,45'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1691,17'
          Dst:             _ZN9OpenBabel29findDuplicatedSymmetryClassesEPNS_6OBAtomERKNSt3__16vectorIjNS2_9allocatorIjEEEERjS9_
        - Src:             'src/stereo/perception.cpp:1692,39'
          Dst:             _ZN9OpenBabel25findAtomWithSymmetryClassEPNS_6OBAtomEjRKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1693,39'
          Dst:             _ZN9OpenBabel25findAtomWithSymmetryClassEPNS_6OBAtomEjRKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1694,21'
          Dst:             _ZN9OpenBabel27containsAtLeast_1true_2paraEPNS_6OBAtomES1_RKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEE
        - Src:             'src/stereo/perception.cpp:1695,21'
          Dst:             _ZN9OpenBabel27containsAtLeast_1true_2paraEPNS_6OBAtomES1_RKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEE
        - Src:             'src/stereo/perception.cpp:1696,77'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1696,35'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/stereo/perception.cpp:1697,45'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1704,51'
          Dst:             _ZN9OpenBabel27findDuplicatedSymmetryClassEPNS_6OBAtomERKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1705,38'
          Dst:             _ZN9OpenBabel25findAtomWithSymmetryClassEPNS_6OBAtomEjRKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1706,21'
          Dst:             _ZN9OpenBabel37containsAtLeast_2true_2paraAssembliesEPNS_6OBAtomES1_RKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEERKNS3_INS_8OBBitVecENS5_ISA_EEEE
        - Src:             'src/stereo/perception.cpp:1707,77'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1707,35'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/stereo/perception.cpp:1708,45'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1629,65'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/stereo/perception.cpp:1718,65'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/stereo/perception.cpp:1720,14'
          Dst:             _ZN9OpenBabel19isPotentialCisTransEPNS_6OBBondE
        - Src:             'src/stereo/perception.cpp:1743,89'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:1743,35'
          Dst:             _ZN9OpenBabel29classifyCisTransNbrSymClassesERKNSt3__16vectorIjNS0_9allocatorIjEEEEPNS_6OBBondEPNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:1744,87'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/stereo/perception.cpp:1744,33'
          Dst:             _ZN9OpenBabel29classifyCisTransNbrSymClassesERKNSt3__16vectorIjNS0_9allocatorIjEEEEPNS_6OBBondEPNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:1749,66'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/stereo/perception.cpp:1749,27'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/stereo/perception.cpp:1750,37'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/stereo/perception.cpp:1762,17'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:1762,17'
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          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
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      BranchProfiles:
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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        - Src:             'src/stereo/perception.cpp:271,5'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
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      functionsReached:
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
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          Dst:             _ZN9OpenBabel11getFragmentEPNS_6OBAtomES1_
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          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
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        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
      functionUses:    4
      BranchProfiles:
        - Branch String:   'src/stereo/perception.cpp:1001,7'
          Branch Sides:    []
      Callsites:
        - Src:             'src/stereo/perception.cpp:707,10'
          Dst:             _ZN9OpenBabel24mayHaveTetrahedralCenterEPNS_5OBMolE
        - Src:             'src/stereo/perception.cpp:707,44'
          Dst:             _ZN9OpenBabel19mayHaveCisTransBondEPNS_5OBMolE
        - Src:             'src/stereo/perception.cpp:711,35'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/stereo/perception.cpp:725,30'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/stereo/perception.cpp:765,30'
          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/stereo/perception.cpp:726,12'
          Dst:             _ZN9OpenBabel22isPotentialTetrahedralEPNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:735,32'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/stereo/perception.cpp:739,31'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:742,39'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/stereo/perception.cpp:747,43'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:735,66'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/stereo/perception.cpp:754,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/stereo/perception.cpp:755,67'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:755,25'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/stereo/perception.cpp:725,63'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/stereo/perception.cpp:883,38'
          Dst:             _ZN9OpenBabel5OBMol7GetLSSREv
        - Src:             'src/stereo/perception.cpp:766,17'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/stereo/perception.cpp:766,37'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/stereo/perception.cpp:769,17'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/stereo/perception.cpp:770,31'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:771,29'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/stereo/perception.cpp:775,20'
          Dst:             _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - Src:             'src/stereo/perception.cpp:775,49'
          Dst:             _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - Src:             'src/stereo/perception.cpp:780,21'
          Dst:             _ZN9OpenBabel6OBAtom13HasSingleBondEv
        - Src:             'src/stereo/perception.cpp:780,46'
          Dst:             _ZN9OpenBabel6OBAtom13HasSingleBondEv
        - Src:             'src/stereo/perception.cpp:786,20'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/stereo/perception.cpp:791,22'
          Dst:             _ZNK9OpenBabel6OBAtom21ExplicitHydrogenCountEb
        - Src:             'src/stereo/perception.cpp:793,27'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/stereo/perception.cpp:796,37'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/stereo/perception.cpp:798,22'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:798,38'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:803,35'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:806,43'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/stereo/perception.cpp:812,45'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:796,72'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/stereo/perception.cpp:822,18'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/stereo/perception.cpp:824,20'
          Dst:             _ZNK9OpenBabel6OBAtom21ExplicitHydrogenCountEb
        - Src:             'src/stereo/perception.cpp:826,25'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/stereo/perception.cpp:829,35'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/stereo/perception.cpp:831,22'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:831,40'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:836,35'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:838,43'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/stereo/perception.cpp:845,45'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:829,68'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/stereo/perception.cpp:854,66'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/stereo/perception.cpp:854,27'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/stereo/perception.cpp:765,63'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/stereo/perception.cpp:888,23'
          Dst:             _ZN9OpenBabel10StereoRingC2Ev
        - Src:             'src/stereo/perception.cpp:888,7'
          Dst:             _ZN9OpenBabel10StereoRingD2Ev
        - Src:             'src/stereo/perception.cpp:888,7'
          Dst:             _ZN9OpenBabel10StereoRingD2Ev
        - Src:             'src/stereo/perception.cpp:893,31'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/stereo/perception.cpp:898,31'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/stereo/perception.cpp:899,31'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/stereo/perception.cpp:900,63'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:900,36'
          Dst:             _ZN9OpenBabel10StereoRing8ParaAtomC2Emj
        - Src:             'src/stereo/perception.cpp:900,11'
          Dst:             _ZN9OpenBabel10StereoRing8ParaAtomD2Ev
        - Src:             'src/stereo/perception.cpp:902,11'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/stereo/perception.cpp:902,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:902,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:902,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:902,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:900,11'
          Dst:             _ZN9OpenBabel10StereoRing8ParaAtomD2Ev
        - Src:             'src/stereo/perception.cpp:902,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:903,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/stereo/perception.cpp:903,35'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/stereo/perception.cpp:902,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:902,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:916,29'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEi
        - Src:             'src/stereo/perception.cpp:917,39'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/stereo/perception.cpp:918,37'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/stereo/perception.cpp:920,31'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/stereo/perception.cpp:921,63'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/stereo/perception.cpp:921,36'
          Dst:             _ZN9OpenBabel10StereoRing8ParaBondC2Emjj
        - Src:             'src/stereo/perception.cpp:921,11'
          Dst:             _ZN9OpenBabel10StereoRing8ParaBondD2Ev
        - Src:             'src/stereo/perception.cpp:923,11'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:923,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:923,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:923,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:923,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:928,11'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/stereo/perception.cpp:928,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:921,11'
          Dst:             _ZN9OpenBabel10StereoRing8ParaBondD2Ev
        - Src:             'src/stereo/perception.cpp:923,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:924,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/stereo/perception.cpp:923,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:923,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:928,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:928,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:928,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:928,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:929,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/stereo/perception.cpp:928,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:928,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:939,31'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/stereo/perception.cpp:940,63'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/stereo/perception.cpp:940,36'
          Dst:             _ZN9OpenBabel10StereoRing8ParaBondC2Emjj
        - Src:             'src/stereo/perception.cpp:940,11'
          Dst:             _ZN9OpenBabel10StereoRing8ParaBondD2Ev
        - Src:             'src/stereo/perception.cpp:942,11'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/stereo/perception.cpp:942,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:942,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:942,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:942,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:947,11'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:947,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:940,11'
          Dst:             _ZN9OpenBabel10StereoRing8ParaBondD2Ev
        - Src:             'src/stereo/perception.cpp:942,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:943,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/stereo/perception.cpp:942,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:942,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:947,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:947,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:947,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:947,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:948,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/stereo/perception.cpp:947,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:947,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:971,7'
          Dst:             _ZN9OpenBabel10StartRule1ERKNSt3__16vectorIjNS0_9allocatorIjEEEERKNS1_INS_10StereoRingENS2_IS7_EEEERNS1_INS_12OBStereoUnitENS2_ISC_EEEERS4_
        - Src:             'src/stereo/perception.cpp:975,41'
          Dst:             _ZN9OpenBabel10mergeRingsEPNS_5OBMolERKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:987,27'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/stereo/perception.cpp:992,21'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1000,28'
          Dst:             _ZN9OpenBabel32classifyTetrahedralNbrSymClassesERKNSt3__16vectorIjNS0_9allocatorIjEEEEPNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:1005,47'
          Dst:             _ZN9OpenBabel27findDuplicatedSymmetryClassEPNS_6OBAtomERKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1006,34'
          Dst:             _ZN9OpenBabel25findAtomWithSymmetryClassEPNS_6OBAtomEjRKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1007,17'
          Dst:             _ZN9OpenBabel27containsAtLeast_1true_2paraEPNS_6OBAtomES1_RKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEE
        - Src:             'src/stereo/perception.cpp:1008,73'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1008,31'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/stereo/perception.cpp:1016,13'
          Dst:             _ZN9OpenBabel29findDuplicatedSymmetryClassesEPNS_6OBAtomERKNSt3__16vectorIjNS2_9allocatorIjEEEERjS9_
        - Src:             'src/stereo/perception.cpp:1017,35'
          Dst:             _ZN9OpenBabel25findAtomWithSymmetryClassEPNS_6OBAtomEjRKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1018,35'
          Dst:             _ZN9OpenBabel25findAtomWithSymmetryClassEPNS_6OBAtomEjRKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1019,17'
          Dst:             _ZN9OpenBabel27containsAtLeast_1true_2paraEPNS_6OBAtomES1_RKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEE
        - Src:             'src/stereo/perception.cpp:1020,17'
          Dst:             _ZN9OpenBabel27containsAtLeast_1true_2paraEPNS_6OBAtomES1_RKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEE
        - Src:             'src/stereo/perception.cpp:1021,73'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1021,31'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/stereo/perception.cpp:1027,47'
          Dst:             _ZN9OpenBabel27findDuplicatedSymmetryClassEPNS_6OBAtomERKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1028,34'
          Dst:             _ZN9OpenBabel25findAtomWithSymmetryClassEPNS_6OBAtomEjRKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1029,17'
          Dst:             _ZN9OpenBabel37containsAtLeast_2true_2paraAssembliesEPNS_6OBAtomES1_RKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEERKNS3_INS_8OBBitVecENS5_ISA_EEEE
        - Src:             'src/stereo/perception.cpp:1030,73'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1030,31'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/stereo/perception.cpp:1036,47'
          Dst:             _ZN9OpenBabel27findDuplicatedSymmetryClassEPNS_6OBAtomERKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1037,34'
          Dst:             _ZN9OpenBabel25findAtomWithSymmetryClassEPNS_6OBAtomEjRKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1038,17'
          Dst:             _ZN9OpenBabel37containsAtLeast_2true_2paraAssembliesEPNS_6OBAtomES1_RKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEERKNS3_INS_8OBBitVecENS5_ISA_EEEE
        - Src:             'src/stereo/perception.cpp:1039,73'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1039,31'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/stereo/perception.cpp:1054,27'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEi
        - Src:             'src/stereo/perception.cpp:1060,21'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/stereo/perception.cpp:1067,29'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:1068,27'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
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          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
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        - Src:             'src/stereo/perception.cpp:1080,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:1081,25'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:1080,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:1095,37'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
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        - Src:             'src/stereo/perception.cpp:1096,28'
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/stereo/perception.cpp:1107,31'
          Dst:             _ZN9OpenBabel29classifyCisTransNbrSymClassesERKNSt3__16vectorIjNS0_9allocatorIjEEEEPNS_6OBBondEPNS_6OBAtomE
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
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        - Src:             'src/stereo/perception.cpp:1117,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:1118,25'
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        - Src:             'src/stereo/perception.cpp:1118,71'
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          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:1117,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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          Dst:             _ZN9OpenBabel11getFragmentEPNS_6OBAtomES1_
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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        - Src:             'src/stereo/perception.cpp:1131,39'
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        - Src:             'src/stereo/perception.cpp:1132,37'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/stereo/perception.cpp:1133,44'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1133,28'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/stereo/perception.cpp:1133,77'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/stereo/perception.cpp:1137,11'
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        - Src:             'src/stereo/perception.cpp:1137,11'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/stereo/perception.cpp:1142,25'
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      Callsites:
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          Dst:             _ZN9OpenBabel10ApplyRule1INS_10StereoRing8ParaAtomEEEbRKT_RKNSt3__16vectorIjNS6_9allocatorIjEEEERKNS7_IS1_NS8_IS1_EEEERNS7_IbNS8_IbEEEERKNS7_INS_12OBStereoUnitENS8_ISK_EEEESA_
        - Src:             'src/stereo/perception.cpp:621,59'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:621,116'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
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          Dst:             _ZN9OpenBabel10ApplyRule1INS_10StereoRing8ParaAtomEEEbRKT_RKNSt3__16vectorIjNS6_9allocatorIjEEEERKNS7_IS1_NS8_IS1_EEEERNS7_IbNS8_IbEEEERKNS7_INS_12OBStereoUnitENS8_ISK_EEEESA_
        - Src:             'src/stereo/perception.cpp:633,32'
          Dst:             _ZN9OpenBabel12checkLigandsINS_10StereoRing8ParaAtomEEEbRKT_RKNSt3__16vectorINS_12OBStereoUnitENS6_9allocatorIS8_EEEE
        - Src:             'src/stereo/perception.cpp:642,52'
          Dst:             _ZN9OpenBabel6OBAtom9GetParentEv
        - Src:             'src/stereo/perception.cpp:642,65'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:643,71'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:643,29'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/stereo/perception.cpp:658,13'
          Dst:             _ZN9OpenBabel10ApplyRule1INS_10StereoRing8ParaBondEEEbRKT_RKNSt3__16vectorIjNS6_9allocatorIjEEEERKNS7_IS1_NS8_IS1_EEEERNS7_IbNS8_IbEEEERKNS7_INS_12OBStereoUnitENS8_ISK_EEEESA_
        - Src:             'src/stereo/perception.cpp:663,59'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:663,116'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:670,23'
          Dst:             _ZN9OpenBabel10ApplyRule1INS_10StereoRing8ParaBondEEEbRKT_RKNSt3__16vectorIjNS6_9allocatorIjEEEERKNS7_IS1_NS8_IS1_EEEERNS7_IbNS8_IbEEEERKNS7_INS_12OBStereoUnitENS8_ISK_EEEESA_
        - Src:             'src/stereo/perception.cpp:675,32'
          Dst:             _ZN9OpenBabel12checkLigandsINS_10StereoRing8ParaBondEEEbRKT_RKNSt3__16vectorINS_12OBStereoUnitENS6_9allocatorIS8_EEEE
        - Src:             'src/stereo/perception.cpp:685,52'
          Dst:             _ZN9OpenBabel6OBAtom9GetParentEv
        - Src:             'src/stereo/perception.cpp:685,65'
          Dst:             _ZNK9OpenBabel5OBMol11GetBondByIdEm
        - Src:             'src/stereo/perception.cpp:686,68'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/stereo/perception.cpp:686,29'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
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      argTypes:
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      ICount:          309
      EdgeCount:       76
      CyclomaticComplexity: 20
      functionsReached:
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      functionUses:    4
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZNK9OpenBabel10StereoRing8ParaAtom8isInRingERKS0_
        - Src:             'src/stereo/perception.cpp:539,57'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:539,114'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:546,17'
          Dst:             _ZN9OpenBabel10ApplyRule1INS_10StereoRing8ParaAtomEEEbRKT_RKNSt3__16vectorIjNS6_9allocatorIjEEEERKNS7_IS1_NS8_IS1_EEEERNS7_IbNS8_IbEEEERKNS7_INS_12OBStereoUnitENS8_ISK_EEEESA_
        - Src:             'src/stereo/perception.cpp:573,57'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:573,114'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:580,17'
          Dst:             _ZN9OpenBabel10ApplyRule1INS_10StereoRing8ParaBondEEEbRKT_RKNSt3__16vectorIjNS6_9allocatorIjEEEERKNS7_IS1_NS8_IS1_EEEERNS7_IbNS8_IbEEEERKNS7_INS_12OBStereoUnitENS8_ISK_EEEESA_
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        - Src:             'src/stereo/perception.cpp:472,68'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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      ICount:          309
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZNK9OpenBabel10StereoRing8ParaBond8isInRingERKS0_
        - Src:             'src/stereo/perception.cpp:539,57'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:539,114'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:546,17'
          Dst:             _ZN9OpenBabel10ApplyRule1INS_10StereoRing8ParaAtomEEEbRKT_RKNSt3__16vectorIjNS6_9allocatorIjEEEERKNS7_IS1_NS8_IS1_EEEERNS7_IbNS8_IbEEEERKNS7_INS_12OBStereoUnitENS8_ISK_EEEESA_
        - Src:             'src/stereo/perception.cpp:573,57'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:573,114'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:580,17'
          Dst:             _ZN9OpenBabel10ApplyRule1INS_10StereoRing8ParaBondEEEbRKT_RKNSt3__16vectorIjNS6_9allocatorIjEEEERKNS7_IS1_NS8_IS1_EEEERNS7_IbNS8_IbEEEERKNS7_INS_12OBStereoUnitENS8_ISK_EEEESA_
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      constantsTouched: []
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      EdgeCount:       18
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel6OBAtom9GetParentEv
        - Src:             'src/stereo/perception.cpp:472,68'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/stereo/perception.cpp:472,23'
          Dst:             _ZN9OpenBabel11getFragmentEPNS_6OBAtomES1_
        - Src:             'src/stereo/perception.cpp:474,11'
          Dst:             _ZN9OpenBabel16isUnitInFragmentEPNS_5OBMolERKNS_12OBStereoUnitERKNS_8OBBitVecE
        - Src:             'src/stereo/perception.cpp:481,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/stereo/perception.cpp:481,3'
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        - Src:             'src/atom.cpp:606,17'
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        - Src:             'src/atom.cpp:607,37'
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        - Src:             'src/atom.cpp:609,24'
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        - Src:             'src/atom.cpp:615,51'
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        - Src:             'src/atom.cpp:500,7'
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        - Src:             'src/atom.cpp:973,65'
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    - functionName:    _ZN9OpenBabel6OBAtom13SetHybAndGeomEi
      functionSourceFile: '/src/openbabel/src/atom.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1252
      functionLinenumberEnd: 1592
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
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        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         379
      ICount:          1796
      EdgeCount:       715
      CyclomaticComplexity: 338
      functionsReached:
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        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
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        - _ZN9OpenBabel5OBMol12DecrementModEv
        - _ZN9OpenBabel5OBMol12IncrementModEv
        - _ZN9OpenBabel5OBMol7AddBondEiiiii
        - _ZN9OpenBabel5OBMol7NewAtomEv
        - _ZN9OpenBabel5crossERKNS_7vector3ES2_
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - _ZN9OpenBabel6OBAtom16GetNewBondVectorERNS_7vector3Ed
        - _ZN9OpenBabel6OBAtom6SetHybEi
        - _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - _ZN9OpenBabel6OBAtom9GetParentEv
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - _ZN9OpenBabel6OBBond9SetLengthEPNS_6OBAtomEd
        - _ZN9OpenBabel7vector39normalizeEv
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
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        - _ZN9OpenBabel7vector3mLERKd
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        - _ZNK9OpenBabel6OBAtom16MemberOfRingSizeEv
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom6GetHybEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBAtom8IsInRingEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
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        - _ZNK9OpenBabel6OBBond8IsInRingEv
      functionUses:    0
      BranchProfiles:
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          Branch Sides:    []
      Callsites:
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/atom.cpp:1260,21'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/atom.cpp:1262,21'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/atom.cpp:1264,21'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/atom.cpp:1266,21'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/atom.cpp:1269,26'
          Dst:             _ZN9OpenBabel6OBAtom9GetParentEv
        - Src:             'src/atom.cpp:1275,16'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/atom.cpp:1276,16'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/atom.cpp:1275,42'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/atom.cpp:1280,10'
          Dst:             _ZN9OpenBabel5OBMol12IncrementModEv
        - Src:             'src/atom.cpp:1283,12'
          Dst:             _ZN9OpenBabel5OBMol10DeleteAtomEPNS_6OBAtomEb
        - Src:             'src/atom.cpp:1284,10'
          Dst:             _ZN9OpenBabel5OBMol12DecrementModEv
        - Src:             'src/atom.cpp:1296,9'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/atom.cpp:1297,38'
          Dst:             _ZNK9OpenBabel6OBAtom16MemberOfRingSizeEv
        - Src:             'src/atom.cpp:1301,28'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/atom.cpp:1301,11'
          Dst:             _ZN9OpenBabelL16CorrectedBondRadEjj
        - Src:             'src/atom.cpp:1302,16'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/atom.cpp:1303,18'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/atom.cpp:1305,39'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/atom.cpp:1305,59'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/atom.cpp:1305,17'
          Dst:             _ZN9OpenBabelL16CorrectedBondRadEjj
        - Src:             'src/atom.cpp:1307,21'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/atom.cpp:1309,26'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/atom.cpp:1311,26'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/atom.cpp:1313,27'
          Dst:             _ZN9OpenBabel6OBBond9SetLengthEPNS_6OBAtomEd
        - Src:             'src/atom.cpp:1302,42'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/atom.cpp:1316,9'
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        - Src:             'src/atom.cpp:1319,19'
          Dst:             _ZN9OpenBabel9matrix3x3C2Ev
        - Src:             'src/atom.cpp:1320,17'
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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        - Src:             'src/atom.cpp:1320,31'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/atom.cpp:1325,20'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/atom.cpp:1326,21'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/atom.cpp:1325,46'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/atom.cpp:1339,20'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/atom.cpp:1340,22'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/atom.cpp:1339,46'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/atom.cpp:1360,26'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1360,38'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1360,37'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
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        - Src:             'src/atom.cpp:1360,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1361,20'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/atom.cpp:1362,26'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1362,38'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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        - Src:             'src/atom.cpp:1363,20'
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        - Src:             'src/atom.cpp:1364,21'
          Dst:             _ZN9OpenBabel5crossERKNS_7vector3ES2_
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        - Src:             'src/atom.cpp:1365,25'
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        - Src:             'src/atom.cpp:1366,19'
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        - Src:             'src/atom.cpp:1374,26'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1374,38'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1374,37'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1375,20'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/atom.cpp:1376,26'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1376,38'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1377,20'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/atom.cpp:1378,26'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1378,38'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1378,37'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/atom.cpp:1378,20'
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        - Src:             'src/atom.cpp:1378,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1379,23'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/atom.cpp:1379,19'
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        - Src:             'src/atom.cpp:1379,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1380,19'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/atom.cpp:1381,19'
          Dst:             _ZN9OpenBabel7vector3mLERKd
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        - Src:             'src/atom.cpp:1382,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1391,30'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1391,42'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1391,41'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1392,24'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/atom.cpp:1393,30'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1393,42'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1393,41'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/atom.cpp:1393,24'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1394,24'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/atom.cpp:1395,25'
          Dst:             _ZN9OpenBabel5crossERKNS_7vector3ES2_
        - Src:             'src/atom.cpp:1395,23'
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        - Src:             'src/atom.cpp:1395,21'
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        - Src:             'src/atom.cpp:1396,29'
          Dst:             _ZN9OpenBabel11vectorAngleERKNS_7vector3ES2_
        - Src:             'src/atom.cpp:1397,23'
          Dst:             _ZN9OpenBabel9matrix3x319RotAboutAxisByAngleERKNS_7vector3Ed
        - Src:             'src/atom.cpp:1398,21'
          Dst:             _ZN9OpenBabelL17ApplyRotMatToBondERNS_5OBMolERNS_9matrix3x3EPNS_6OBAtomES5_
        - Src:             'src/atom.cpp:1402,30'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1402,42'
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        - Src:             'src/atom.cpp:1404,30'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1404,42'
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1405,24'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/atom.cpp:1406,30'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1406,42'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1406,41'
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        - Src:             'src/atom.cpp:1406,24'
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        - Src:             'src/atom.cpp:1406,21'
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        - Src:             'src/atom.cpp:1407,27'
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        - Src:             'src/atom.cpp:1407,23'
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        - Src:             'src/atom.cpp:1407,21'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1408,23'
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        - Src:             'src/atom.cpp:1409,23'
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        - Src:             'src/atom.cpp:1410,21'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1421,26'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1421,38'
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        - Src:             'src/atom.cpp:1421,37'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/atom.cpp:1421,20'
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        - Src:             'src/atom.cpp:1421,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1422,20'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/atom.cpp:1423,26'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1423,38'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1423,37'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/atom.cpp:1423,20'
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        - Src:             'src/atom.cpp:1423,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1424,20'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/atom.cpp:1425,26'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1425,38'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1425,37'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/atom.cpp:1425,20'
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        - Src:             'src/atom.cpp:1425,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1426,20'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/atom.cpp:1427,26'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1427,38'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1427,37'
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        - Src:             'src/atom.cpp:1427,20'
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        - Src:             'src/atom.cpp:1427,17'
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        - Src:             'src/atom.cpp:1428,24'
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        - Src:             'src/atom.cpp:1428,29'
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        - Src:             'src/atom.cpp:1428,19'
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        - Src:             'src/atom.cpp:1428,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1428,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1429,19'
          Dst:             _ZN9OpenBabel7vector3mLERKd
        - Src:             'src/atom.cpp:1430,19'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/atom.cpp:1431,21'
          Dst:             _ZN9OpenBabel5crossERKNS_7vector3ES2_
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      functionsReached:
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          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
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      functionsReached:
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      Callsites:
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          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
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          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
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          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
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          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
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          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
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          Dst:             _ZN9OpenBabel6OBAtom9GetParentEv
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          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEPNS_6OBAtomES2_S2_S2_
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          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/atom.cpp:251,36'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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      functionsReached:
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        - _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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        - Src:             'src/atom.cpp:238,27'
          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
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          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
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          Dst:             _ZN9OpenBabel6OBAtom11IsConnectedEPS0_
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      functionsReached:
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          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/atom.cpp:207,47'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
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          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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      functionsReached:
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          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/atom.cpp:223,20'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
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          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
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          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/atom.cpp:221,59'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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      functionDepth:   0
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      constantsTouched: []
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      EdgeCount:       15
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      functionsReached:
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          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:186,8'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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          Dst:             _ZN9OpenBabel6OBBase9BeginDataEv
        - Src:             'src/atom.cpp:194,40'
          Dst:             _ZN9OpenBabel6OBBase7EndDataEv
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          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
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          Dst:             _ZN9OpenBabel6OBBase7EndDataEv
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      functionDepth:   0
      returnType:      'N/A'
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      argTypes:
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      constantsTouched: []
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      ICount:          25
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
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        - _ZNK9OpenBabel6OBAtom6GetIdxEv
      functionUses:    3
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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      BranchProfiles:
        - Branch String:   'src/bond.cpp:565,5'
          Branch Sides:    []
      Callsites:
        - Src:             'src/bond.cpp:564,18'
          Dst:             _ZN9OpenBabel10OBElements14GetCovalentRadEj
    - functionName:    _ZNK9OpenBabel6OBBond10GetEndAtomEv
      functionSourceFile: '/src/openbabel/include/openbabel/bond.h'
      linkageType:     InternalLinkage
      functionLinenumber: 174
      functionLinenumberEnd: 174
      functionDepth:   0
      returnType:      'N/A'
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         1
      ICount:          6
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    2
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZNK9OpenBabel6OBBond12GetBeginAtomEv
      functionSourceFile: '/src/openbabel/include/openbabel/bond.h'
      linkageType:     InternalLinkage
      functionLinenumber: 170
      functionLinenumberEnd: 170
      functionDepth:   0
      returnType:      'N/A'
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         1
      ICount:          6
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    2
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZNK9OpenBabel6OBBond14GetEquibLengthEv
      functionSourceFile: '/src/openbabel/src/bond.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 576
      functionLinenumberEnd: 594
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         9
      ICount:          47
      EdgeCount:       9
      CyclomaticComplexity: 2
      functionsReached:
        - _ZN9OpenBabelL16CorrectedBondRadEjj
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom6GetHybEv
        - _ZNK9OpenBabel6OBBond10GetEndAtomEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBeginAtomEv
      functionUses:    0
      BranchProfiles:
        - Branch String:   'src/bond.cpp:587,5'
          Branch Sides:    []
      Callsites:
        - Src:             'src/bond.cpp:579,13'
          Dst:             _ZNK9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/bond.cpp:580,11'
          Dst:             _ZNK9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/bond.cpp:581,45'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:581,68'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/bond.cpp:581,21'
          Dst:             _ZN9OpenBabelL16CorrectedBondRadEjj
        - Src:             'src/bond.cpp:582,43'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:582,64'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/bond.cpp:582,21'
          Dst:             _ZN9OpenBabelL16CorrectedBondRadEjj
        - Src:             'src/bond.cpp:584,9'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
    - functionName:    _ZNK9OpenBabel6OBBond10IsAromaticEv
      functionSourceFile: '/src/openbabel/src/bond.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 467
      functionLinenumberEnd: 476
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         6
      ICount:          25
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
        - _ZN9OpenBabel15OBAromaticTyper19AssignAromaticFlagsERNS_5OBMolE
        - _ZN9OpenBabel5OBMol20HasAromaticPerceivedEv
        - _ZN9OpenBabel6OBBond9GetParentEv
        - _ZNK9OpenBabel6OBBond7HasFlagEi
        - _ZTWN9OpenBabel9aromtyperE
      functionUses:    90
      BranchProfiles:  []
      Callsites:
        - Src:             'src/bond.cpp:468,35'
          Dst:             _ZN9OpenBabel6OBBond9GetParentEv
        - Src:             'src/bond.cpp:469,15'
          Dst:             _ZN9OpenBabel5OBMol20HasAromaticPerceivedEv
        - Src:             'src/bond.cpp:470,9'
          Dst:             _ZTWN9OpenBabel9aromtyperE
        - Src:             'src/bond.cpp:470,19'
          Dst:             _ZN9OpenBabel15OBAromaticTyper19AssignAromaticFlagsERNS_5OBMolE
        - Src:             'src/bond.cpp:472,15'
          Dst:             _ZNK9OpenBabel6OBBond7HasFlagEi
    - functionName:    _ZN9OpenBabel6OBBond9IsClosureEv
      functionSourceFile: '/src/openbabel/src/bond.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 551
      functionLinenumberEnd: 558
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         9
      ICount:          32
      EdgeCount:       11
      CyclomaticComplexity: 4
      functionsReached:
        - _ZN9OpenBabel5OBMol21FindRingAtomsAndBondsEv
        - _ZN9OpenBabel5OBMol24HasClosureBondsPerceivedEv
        - _ZN9OpenBabel6OBBond9GetParentEv
        - _ZNK9OpenBabel6OBBond7HasFlagEi
      functionUses:    5
      BranchProfiles:  []
      Callsites:
        - Src:             'src/bond.cpp:552,26'
          Dst:             _ZN9OpenBabel6OBBond9GetParentEv
        - Src:             'src/bond.cpp:555,15'
          Dst:             _ZN9OpenBabel5OBMol24HasClosureBondsPerceivedEv
        - Src:             'src/bond.cpp:556,12'
          Dst:             _ZN9OpenBabel5OBMol21FindRingAtomsAndBondsEv
        - Src:             'src/bond.cpp:557,12'
          Dst:             _ZNK9OpenBabel6OBBond7HasFlagEi
    - functionName:    _ZNK9OpenBabel6OBBond8IsInRingEv
      functionSourceFile: '/src/openbabel/src/bond.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 519
      functionLinenumberEnd: 528
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         6
      ICount:          24
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
        - _ZN9OpenBabel5OBMol21FindRingAtomsAndBondsEv
        - _ZN9OpenBabel5OBMol29HasRingAtomsAndBondsPerceivedEv
        - _ZN9OpenBabel6OBBond9GetParentEv
        - _ZNK9OpenBabel6OBBond7HasFlagEi
      functionUses:    36
      BranchProfiles:  []
      Callsites:
        - Src:             'src/bond.cpp:520,35'
          Dst:             _ZN9OpenBabel6OBBond9GetParentEv
        - Src:             'src/bond.cpp:521,15'
          Dst:             _ZN9OpenBabel5OBMol29HasRingAtomsAndBondsPerceivedEv
        - Src:             'src/bond.cpp:522,12'
          Dst:             _ZN9OpenBabel5OBMol21FindRingAtomsAndBondsEv
        - Src:             'src/bond.cpp:524,26'
          Dst:             _ZNK9OpenBabel6OBBond7HasFlagEi
    - functionName:    _ZN9OpenBabel6OBBond20IsDoubleBondGeometryEv
      functionSourceFile: '/src/openbabel/src/bond.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 482
      functionLinenumberEnd: 516
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         32
      ICount:          136
      EdgeCount:       44
      CyclomaticComplexity: 14
      functionsReached:
        - _ZN9OpenBabel5OBMol10GetTorsionEPNS_6OBAtomES2_S2_S2_
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom6GetHybEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/bond.cpp:488,15'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/bond.cpp:488,36'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/bond.cpp:489,15'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/bond.cpp:489,36'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/bond.cpp:492,49'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/bond.cpp:497,55'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/bond.cpp:502,43'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEPNS_6OBAtomES2_S2_S2_
        - Src:             'src/bond.cpp:498,63'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/bond.cpp:493,49'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
    - functionName:    _ZN9OpenBabel6OBBond7IsEsterEv
      functionSourceFile: '/src/openbabel/src/bond.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 424
      functionLinenumberEnd: 452
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         28
      ICount:          120
      EdgeCount:       38
      CyclomaticComplexity: 12
      functionsReached:
        - _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond10IsCarbonylEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/bond.cpp:428,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:428,44'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:434,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:434,44'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:442,9'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/bond.cpp:447,21'
          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/bond.cpp:448,17'
          Dst:             _ZN9OpenBabel6OBBond10IsCarbonylEv
        - Src:             'src/bond.cpp:447,50'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
    - functionName:    _ZN9OpenBabel6OBBond10IsCarbonylEv
      functionSourceFile: '/src/openbabel/src/bond.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 455
      functionLinenumberEnd: 464
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         16
      ICount:          68
      EdgeCount:       21
      CyclomaticComplexity: 7
      functionsReached:
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
      functionUses:    5
      BranchProfiles:  []
      Callsites:
        - Src:             'src/bond.cpp:456,9'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/bond.cpp:459,16'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:459,45'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:460,16'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:460,45'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
    - functionName:    _ZN9OpenBabel6OBBond15IsTertiaryAmideEv
      functionSourceFile: '/src/openbabel/src/bond.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 293
      functionLinenumberEnd: 324
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         32
      ICount:          136
      EdgeCount:       44
      CyclomaticComplexity: 14
      functionsReached:
        - _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond10IsCarbonylEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/bond.cpp:298,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:298,46'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:303,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:303,46'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:309,11'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/bond.cpp:310,14'
          Dst:             _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - Src:             'src/bond.cpp:313,14'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/bond.cpp:318,22'
          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/bond.cpp:320,20'
          Dst:             _ZN9OpenBabel6OBBond10IsCarbonylEv
        - Src:             'src/bond.cpp:318,52'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
    - functionName:    _ZN9OpenBabel6OBBond16IsSecondaryAmideEv
      functionSourceFile: '/src/openbabel/src/bond.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 259
      functionLinenumberEnd: 290
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         32
      ICount:          136
      EdgeCount:       44
      CyclomaticComplexity: 14
      functionsReached:
        - _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond10IsCarbonylEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/bond.cpp:264,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:264,46'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:269,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:269,46'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:275,11'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/bond.cpp:276,14'
          Dst:             _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - Src:             'src/bond.cpp:279,14'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/bond.cpp:284,22'
          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/bond.cpp:286,20'
          Dst:             _ZN9OpenBabel6OBBond10IsCarbonylEv
        - Src:             'src/bond.cpp:284,52'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
    - functionName:    _ZN9OpenBabel6OBBond14IsPrimaryAmideEv
      functionSourceFile: '/src/openbabel/src/bond.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 225
      functionLinenumberEnd: 256
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         32
      ICount:          136
      EdgeCount:       44
      CyclomaticComplexity: 14
      functionsReached:
        - _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond10IsCarbonylEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/bond.cpp:230,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:230,46'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:235,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:235,46'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:241,11'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/bond.cpp:242,14'
          Dst:             _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - Src:             'src/bond.cpp:245,14'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/bond.cpp:250,22'
          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/bond.cpp:252,20'
          Dst:             _ZN9OpenBabel6OBBond10IsCarbonylEv
        - Src:             'src/bond.cpp:250,52'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
    - functionName:    _ZN9OpenBabel6OBBond7IsAmideEv
      functionSourceFile: '/src/openbabel/src/bond.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 193
      functionLinenumberEnd: 222
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         30
      ICount:          128
      EdgeCount:       41
      CyclomaticComplexity: 13
      functionsReached:
        - _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond10IsCarbonylEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
      functionUses:    6
      BranchProfiles:  []
      Callsites:
        - Src:             'src/bond.cpp:198,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:198,46'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:203,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:203,46'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/bond.cpp:209,11'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/bond.cpp:210,14'
          Dst:             _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - Src:             'src/bond.cpp:215,22'
          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/bond.cpp:217,20'
          Dst:             _ZN9OpenBabel6OBBond10IsCarbonylEv
        - Src:             'src/bond.cpp:215,52'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
    - functionName:    _ZNK9OpenBabel6OBBond10IsPeriodicEv
      functionSourceFile: '/src/openbabel/src/bond.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 187
      functionLinenumberEnd: 189
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         3
      ICount:          13
      EdgeCount:       3
      CyclomaticComplexity: 2
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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        - _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
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        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
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        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
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      BranchProfiles:  []
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
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        - Src:             'src/builder.cpp:2029,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/builder.cpp:2040,7'
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
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        - Src:             'src/builder.cpp:2041,34'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/builder.cpp:2041,22'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:2042,30'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:2042,25'
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          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:2042,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:2042,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:2047,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:2047,7'
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          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/builder.cpp:2048,22'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:2049,11'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/builder.cpp:2049,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:2049,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/builder.cpp:2050,21'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/builder.cpp:2055,21'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/builder.cpp:2056,24'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/builder.cpp:2057,22'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/builder.cpp:2058,13'
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          Dst:             _ZN9OpenBabel9OBBuilder7ConnectERNS_5OBMolEiii
        - Src:             'src/builder.cpp:2061,5'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:2061,5'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:2064,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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      ICount:          58
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          Dst:             _ZN9OpenBabel10OBElements14GetCovalentRadEj
        - Src:             'src/builder.cpp:221,53'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/builder.cpp:221,19'
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        - Src:             'src/builder.cpp:235,12'
          Dst:             _ZN9OpenBabel9OBBuilder16GetNewBondVectorEPNS_6OBAtomEd
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        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
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      BranchProfiles:  []
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        - Src:             'src/builder.cpp:763,21'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:770,25'
          Dst:             _ZN9OpenBabel9OBBuilder11GetFragmentEPNS_6OBAtomE
        - Src:             'src/builder.cpp:771,21'
          Dst:             _ZN9OpenBabel9OBBuilder11GetFragmentEPNS_6OBAtomE
        - Src:             'src/builder.cpp:771,18'
          Dst:             _ZN9OpenBabeleqERKNS_8OBBitVecES2_
        - Src:             'src/builder.cpp:771,9'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:771,9'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:778,12'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/builder.cpp:780,30'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:780,44'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:780,16'
          Dst:             _ZN9OpenBabel8OBBitVec10SetRangeOnEjj
        - Src:             'src/builder.cpp:783,23'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:783,20'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/builder.cpp:784,23'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:784,20'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/builder.cpp:788,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:799,15'
          Dst:             _ZN9OpenBabel9matrix3x3C2Ev
        - Src:             'src/builder.cpp:799,22'
          Dst:             _ZN9OpenBabel9matrix3x3C2Ev
        - Src:             'src/builder.cpp:799,29'
          Dst:             _ZN9OpenBabel9matrix3x3C2Ev
        - Src:             'src/builder.cpp:800,29'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
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        - Src:             'src/builder.cpp:892,42'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:892,26'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/builder.cpp:893,16'
          Dst:             _ZN9OpenBabel7vector3pLERKS0_
        - Src:             'src/builder.cpp:894,13'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:894,25'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:895,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:895,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:889,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:901,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/builder.cpp:901,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/builder.cpp:901,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:901,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/builder.cpp:906,5'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/builder.cpp:906,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/builder.cpp:906,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/builder.cpp:906,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:906,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/builder.cpp:907,34'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:907,20'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:906,5'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/builder.cpp:906,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:915,24'
          Dst:             _ZN9OpenBabel5OBMol7NewBondEv
        - Src:             'src/builder.cpp:916,11'
          Dst:             _ZN9OpenBabel6OBBond8SetBeginEPNS_6OBAtomE
        - Src:             'src/builder.cpp:917,11'
          Dst:             _ZN9OpenBabel6OBBond6SetEndEPNS_6OBAtomE
        - Src:             'src/builder.cpp:918,11'
          Dst:             _ZN9OpenBabel6OBBond12SetBondOrderEi
        - Src:             'src/builder.cpp:919,8'
          Dst:             _ZN9OpenBabel6OBAtom7AddBondEPNS_6OBBondE
        - Src:             'src/builder.cpp:920,8'
          Dst:             _ZN9OpenBabel6OBAtom7AddBondEPNS_6OBBondE
        - Src:             'src/builder.cpp:928,30'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/builder.cpp:928,50'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/builder.cpp:934,30'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/builder.cpp:934,50'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/builder.cpp:936,11'
          Dst:             _ZN9OpenBabel5OBMol10SetTorsionEPNS_6OBAtomES2_S2_S2_d
        - Src:             'src/builder.cpp:940,45'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/builder.cpp:940,62'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/builder.cpp:941,45'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/builder.cpp:941,62'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/builder.cpp:0,0'
          Dst:             _ZN9OpenBabel5OBMol10SetTorsionEPNS_6OBAtomES2_S2_S2_d
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:946,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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      functionSourceFile: '/src/openbabel/src/builder.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1058
      functionLinenumberEnd: 1065
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
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      constantsTouched: []
      argNames:
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        - ''
      BBCount:         6
      ICount:          27
      EdgeCount:       9
      CyclomaticComplexity: 5
      functionsReached:
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        - _ZN9OpenBabel8OBBitVecC2Ev
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZN9OpenBabel9OBBuilder7AddNbrsERNS_8OBBitVecEPNS_6OBAtomE
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
      functionUses:    5
      BranchProfiles:  []
      Callsites:
        - Src:             'src/builder.cpp:1059,14'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/builder.cpp:1061,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1061,14'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/builder.cpp:1062,5'
          Dst:             _ZN9OpenBabel9OBBuilder7AddNbrsERNS_8OBBitVecEPNS_6OBAtomE
        - Src:             'src/builder.cpp:1065,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel9OBBuilder16GetNewBondVectorEPNS_6OBAtomE
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      linkageType:     InternalLinkage
      functionLinenumber: 239
      functionLinenumberEnd: 240
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        - ''
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      ICount:          12
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
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      functionUses:    3
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel9OBBuilder16GetNewBondVectorEPNS_6OBAtomEd
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      argNames:
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      BBCount:         745
      ICount:          3421
      EdgeCount:       1321
      CyclomaticComplexity: 578
      functionsReached:
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        - _ZN9OpenBabel14OBStereoFacade21HasSquarePlanarStereoEm
        - _ZN9OpenBabel14OBStereoFacadeC2EPNS_5OBMolEb
        - _ZN9OpenBabel14OBStereoFacadeD2Ev
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel3dotERKNS_7vector3ES2_
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel5crossERKNS_7vector3ES2_
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom16IsCarboxylOxygenEv
        - _ZN9OpenBabel6OBAtom6SetHybEi
        - _ZN9OpenBabel6OBAtom7GetBondEPS0_
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        - _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZN9OpenBabel6OBBond6IsHashEv
        - _ZN9OpenBabel6OBBond7IsWedgeEv
        - _ZN9OpenBabel7vector316randomUnitVectorEv
        - _ZN9OpenBabel7vector31xEv
        - _ZN9OpenBabel7vector31yEv
        - _ZN9OpenBabel7vector31zEv
        - _ZN9OpenBabel7vector33SetEddd
        - _ZN9OpenBabel7vector39normalizeEv
        - _ZN9OpenBabel7vector3C2ERKS0_
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel7vector3aSERKS0_
        - _ZN9OpenBabel7vector3mLERKd
        - _ZN9OpenBabel7vector3pLERKS0_
        - _ZN9OpenBabel9matrix3x319RotAboutAxisByAngleERKNS_7vector3Ed
        - _ZN9OpenBabel9matrix3x3C2Ev
        - _ZN9OpenBabel9matrix3x3D2Ev
        - _ZN9OpenBabelmiERKNS_7vector3ES2_
        - _ZN9OpenBabelmlERKNS_7vector3ERKd
        - _ZN9OpenBabelmlERKNS_9matrix3x3ERKNS_7vector3E
        - _ZN9OpenBabelmlERKdRKNS_7vector3E
        - _ZN9OpenBabelngERKNS_7vector3E
        - _ZN9OpenBabelplERKNS_7vector3ES2_
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol12GetDimensionEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom5GetIdEv
        - _ZNK9OpenBabel6OBAtom6GetHybEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel7vector38length_2Ev
        - acos
      functionUses:    6
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:245,20'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:245,27'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:245,34'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:245,41'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:245,48'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:245,52'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:245,56'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:245,60'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:247,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:248,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:249,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:250,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:251,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:254,14'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/builder.cpp:256,36'
          Dst:             _ZN9OpenBabel6OBAtom9GetParentEv
        - Src:             'src/builder.cpp:256,50'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/builder.cpp:266,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/builder.cpp:267,25'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:267,42'
          Dst:             _ZN9OpenBabelmlERKNS_7vector3ERKd
        - Src:             'src/builder.cpp:267,37'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:267,17'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:267,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:267,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:268,16'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/builder.cpp:267,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:294,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/builder.cpp:295,37'
          Dst:             _ZN9OpenBabel6OBAtom16IsCarboxylOxygenEv
        - Src:             'src/builder.cpp:297,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/builder.cpp:297,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/builder.cpp:297,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/builder.cpp:297,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:313,23'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/builder.cpp:297,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/builder.cpp:298,25'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:298,44'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:298,37'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:298,17'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:298,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:300,20'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/builder.cpp:303,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/builder.cpp:303,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/builder.cpp:303,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/builder.cpp:303,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:303,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/builder.cpp:305,28'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:305,48'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:305,40'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:305,21'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:305,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:307,43'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/builder.cpp:303,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/builder.cpp:303,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:303,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/builder.cpp:305,28'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:305,48'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:305,40'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:305,21'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:305,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:303,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/builder.cpp:303,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:297,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/builder.cpp:297,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:313,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:314,14'
          Dst:             _ZN9OpenBabel5crossERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:314,12'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:314,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:315,19'
          Dst:             _ZNK9OpenBabel7vector38length_2Ev
        - Src:             'src/builder.cpp:315,43'
          Dst:             _ZNK9OpenBabel7vector38length_2Ev
        - Src:             'src/builder.cpp:316,19'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:317,17'
          Dst:             _ZN9OpenBabel7vector316randomUnitVectorEv
        - Src:             'src/builder.cpp:0,0'
          Dst:             _ZN9OpenBabel3dotERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:0,0'
          Dst:             acos
        - Src:             'src/builder.cpp:320,19'
          Dst:             _ZN9OpenBabel7vector316randomUnitVectorEv
        - Src:             'src/builder.cpp:324,16'
          Dst:             _ZN9OpenBabel5crossERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:324,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:324,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:325,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:325,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:326,14'
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/builder.cpp:568,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/builder.cpp:568,11'
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        - Src:             'src/builder.cpp:581,19'
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        - Src:             'src/builder.cpp:582,29'
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        - Src:             'src/builder.cpp:569,23'
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        - Src:             'src/builder.cpp:570,29'
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        - Src:             'src/builder.cpp:570,48'
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        - Src:             'src/builder.cpp:572,29'
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        - Src:             'src/builder.cpp:582,19'
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        - Src:             'src/builder.cpp:590,15'
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        - Src:             'src/builder.cpp:635,29'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/builder.cpp:637,18'
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        - Src:             'src/builder.cpp:638,23'
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        - Src:             'src/builder.cpp:644,25'
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        - Src:             'src/builder.cpp:642,26'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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        - Src:             'src/builder.cpp:646,19'
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        - Src:             'src/builder.cpp:648,21'
          Dst:             _ZN9OpenBabel9matrix3x3C2Ev
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        - Src:             'src/builder.cpp:654,26'
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        - Src:             'src/builder.cpp:663,17'
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        - Src:             'src/builder.cpp:664,34'
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        - Src:             'src/builder.cpp:670,15'
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        - Src:             'src/builder.cpp:665,21'
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        - Src:             'src/builder.cpp:668,39'
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        - Src:             'src/builder.cpp:664,68'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/builder.cpp:671,15'
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        - Src:             'src/builder.cpp:672,25'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:672,17'
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        - Src:             'src/builder.cpp:674,17'
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        - Src:             'src/builder.cpp:675,26'
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        - Src:             'src/builder.cpp:676,16'
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        - Src:             'src/builder.cpp:684,17'
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        - Src:             'src/builder.cpp:685,51'
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        - Src:             'src/builder.cpp:685,24'
          Dst:             _ZN9OpenBabel14OBStereoFacadeC2EPNS_5OBMolEb
        - Src:             'src/builder.cpp:686,53'
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        - Src:             'src/builder.cpp:686,26'
          Dst:             _ZN9OpenBabel14OBStereoFacade20HasTetrahedralStereoEm
        - Src:             'src/builder.cpp:690,36'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/builder.cpp:691,34'
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        - Src:             'src/builder.cpp:693,23'
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        - Src:             'src/builder.cpp:694,33'
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        - Src:             'src/builder.cpp:699,25'
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        - Src:             'src/builder.cpp:700,35'
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        - Src:             'src/builder.cpp:690,70'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/builder.cpp:709,27'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:709,48'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/builder.cpp:709,66'
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        - Src:             'src/builder.cpp:709,19'
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        - Src:             'src/builder.cpp:709,13'
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        - Src:             'src/builder.cpp:710,27'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:710,51'
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        - Src:             'src/builder.cpp:710,69'
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        - Src:             'src/builder.cpp:710,39'
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        - Src:             'src/builder.cpp:710,19'
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        - Src:             'src/builder.cpp:710,13'
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        - Src:             'src/builder.cpp:712,27'
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        - Src:             'src/builder.cpp:712,47'
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        - Src:             'src/builder.cpp:712,65'
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        - Src:             'src/builder.cpp:712,39'
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        - Src:             'src/builder.cpp:712,19'
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        - Src:             'src/builder.cpp:712,13'
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        - Src:             'src/builder.cpp:713,27'
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        - Src:             'src/builder.cpp:713,51'
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        - Src:             'src/builder.cpp:713,69'
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        - Src:             'src/builder.cpp:713,39'
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        - Src:             'src/builder.cpp:713,19'
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        - Src:             'src/builder.cpp:713,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:715,27'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:715,51'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/builder.cpp:715,69'
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        - Src:             'src/builder.cpp:715,39'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:715,19'
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        - Src:             'src/builder.cpp:715,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:716,27'
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        - Src:             'src/builder.cpp:716,51'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/builder.cpp:716,69'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:716,39'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:716,19'
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        - Src:             'src/builder.cpp:716,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:718,27'
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        - Src:             'src/builder.cpp:718,48'
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        - Src:             'src/builder.cpp:718,66'
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        - Src:             'src/builder.cpp:718,39'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:718,19'
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        - Src:             'src/builder.cpp:718,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:719,27'
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        - Src:             'src/builder.cpp:719,47'
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        - Src:             'src/builder.cpp:719,65'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:719,39'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:719,19'
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        - Src:             'src/builder.cpp:719,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:722,36'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/builder.cpp:723,23'
          Dst:             _ZNK9OpenBabel7vector38length_2Ev
        - Src:             'src/builder.cpp:724,29'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:724,48'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:724,41'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:724,21'
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        - Src:             'src/builder.cpp:724,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:725,28'
          Dst:             _ZNK9OpenBabel7vector38length_2Ev
        - Src:             'src/builder.cpp:726,29'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:726,48'
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        - Src:             'src/builder.cpp:726,41'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:726,21'
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        - Src:             'src/builder.cpp:726,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:728,29'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:728,48'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:728,41'
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        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol7GetBondEii
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond8GetFlagsEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
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      functionUses:    0
      BranchProfiles:  []
      Callsites:
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        - Src:             'src/builder.cpp:1593,21'
          Dst:             _ZN9OpenBabel9OBBuilder11GetFragmentEPNS_6OBAtomE
        - Src:             'src/builder.cpp:1594,23'
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        - Src:             'src/builder.cpp:1597,13'
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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        - Src:             'src/builder.cpp:1607,62'
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        - Src:             'src/builder.cpp:1607,35'
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        - Src:             'src/builder.cpp:1607,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1607,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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        - Src:             'src/builder.cpp:1617,27'
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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        - Src:             'src/builder.cpp:1619,12'
          Dst:             _ZN9OpenBabel6OBAtomC2Ev
        - Src:             'src/builder.cpp:1619,19'
          Dst:             _ZN9OpenBabel6OBAtomC2Ev
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          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/builder.cpp:1620,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/builder.cpp:1620,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:1630,19'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/builder.cpp:1620,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/builder.cpp:1621,17'
          Dst:             _ZNK9OpenBabel7vector38length_2Ev
        - Src:             'src/builder.cpp:1622,15'
          Dst:             _ZN9OpenBabel6OBAtomaSERS0_
        - Src:             'src/builder.cpp:1623,30'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1623,22'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1623,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1623,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1626,15'
          Dst:             _ZN9OpenBabel6OBAtomaSERS0_
        - Src:             'src/builder.cpp:1627,30'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1627,22'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1627,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1620,5'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/builder.cpp:1620,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:1630,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1631,19'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/builder.cpp:1631,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1632,16'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1632,8'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1632,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1633,13'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/builder.cpp:1633,8'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1636,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:1639,5'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1639,5'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/builder.cpp:1639,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/builder.cpp:1639,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/builder.cpp:1639,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:1645,24'
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        - Src:             'src/builder.cpp:1639,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/builder.cpp:1640,16'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1640,34'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1640,51'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1640,69'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1641,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1642,48'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1642,35'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1642,59'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1639,5'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/builder.cpp:1639,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:1645,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1645,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1646,24'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1646,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1647,19'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/builder.cpp:1647,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1648,19'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/builder.cpp:1648,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1649,16'
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1650,13'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/builder.cpp:1650,8'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1653,18'
          Dst:             _ZN9OpenBabel11vectorAngleERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1654,18'
          Dst:             _ZN9OpenBabel5crossERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1655,15'
          Dst:             _ZN9OpenBabel9matrix3x3C2Ev
        - Src:             'src/builder.cpp:1656,9'
          Dst:             _ZN9OpenBabel9matrix3x319RotAboutAxisByAngleERKNS_7vector3Ed
        - Src:             'src/builder.cpp:1659,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:1661,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1661,44'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1661,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1662,14'
          Dst:             _ZN9OpenBabel7vector3mLERKNS_9matrix3x3E
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        - Src:             'src/builder.cpp:1663,35'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:1667,14'
          Dst:             _ZN9OpenBabel5crossERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1667,12'
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        - Src:             'src/builder.cpp:1667,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1668,10'
          Dst:             _ZN9OpenBabel5crossERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1668,8'
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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        - Src:             'src/builder.cpp:1669,8'
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        - Src:             'src/builder.cpp:1669,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1670,11'
          Dst:             _ZN9OpenBabel11vectorAngleERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1671,10'
          Dst:             _ZN9OpenBabel5crossERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1671,8'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1671,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1672,9'
          Dst:             _ZN9OpenBabel9matrix3x319RotAboutAxisByAngleERKNS_7vector3Ed
        - Src:             'src/builder.cpp:1674,24'
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        - Src:             'src/builder.cpp:1674,44'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1674,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1675,14'
          Dst:             _ZN9OpenBabel7vector3mLERKNS_9matrix3x3E
        - Src:             'src/builder.cpp:1676,15'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1676,35'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:1681,15'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1681,54'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1681,74'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1681,86'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1681,35'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:1681,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1681,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel6OBAtomD2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel6OBAtomD2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:1685,26'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1685,63'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1685,52'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/builder.cpp:1685,83'
          Dst:             _ZNK9OpenBabel6OBBond8GetFlagsEv
        - Src:             'src/builder.cpp:1685,15'
          Dst:             _ZN9OpenBabel5OBMol7AddBondEiiiii
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel6OBAtomD2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel6OBAtomD2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1688,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel9OBBuilder18CorrectStereoAtomsERNS_5OBMolEb
      functionSourceFile: '/src/openbabel/src/builder.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1851
      functionLinenumberEnd: 2002
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         258
      ICount:          1283
      EdgeCount:       489
      CyclomaticComplexity: 233
      functionsReached:
        - _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel17TetrahedralFrom3DEPNS_5OBMolERKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEEb
        - _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - _ZN9OpenBabel6OBBase10GetAllDataEj
        - _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel9OBBuilder11IsSpiroAtomEmRNS_5OBMolE
        - _ZN9OpenBabel9OBBuilder13FixRingStereoENSt3__16vectorINS1_4pairImbEENS1_9allocatorIS4_EEEERNS_5OBMolERNS2_ImNS5_ImEEEE
        - _ZN9OpenBabel9OBBuilder14SwapWithVectorERNS_5OBMolEiiiRKNS_7vector3E
        - _ZN9OpenBabel9OBBuilder16GetNewBondVectorEPNS_6OBAtomEd
        - _ZN9OpenBabel9OBBuilder4SwapERNS_5OBMolEiiii
        - _ZN9OpenBabel9OBBuilder9FlipSpiroERNS_5OBMolEi
        - _ZNK9OpenBabel19OBTetrahedralStereo6ConfigeqERKS1_
        - _ZNK9OpenBabel19OBTetrahedralStereo6ConfigneERKS1_
        - _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond8IsInRingEv
        - _ZNK9OpenBabel6OBBond9GetLengthEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - __dynamic_cast
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/builder.cpp:1857,45'
          Dst:             _ZN9OpenBabel6OBBase10GetAllDataEj
        - Src:             'src/builder.cpp:1872,16'
          Dst:             _ZN9OpenBabel17TetrahedralFrom3DEPNS_5OBMolERKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEEb
        - Src:             'src/builder.cpp:1861,35'
          Dst:             __dynamic_cast
        - Src:             'src/builder.cpp:1862,17'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/builder.cpp:1862,13'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1864,25'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/builder.cpp:1864,11'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1865,29'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/builder.cpp:1891,26'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1895,43'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/builder.cpp:1895,32'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1901,51'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/builder.cpp:1903,20'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/builder.cpp:1905,7'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/builder.cpp:1905,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:1905,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/builder.cpp:1906,16'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/builder.cpp:1909,47'
          Dst:             _ZN9OpenBabel9OBBuilder11IsSpiroAtomEmRNS_5OBMolE
        - Src:             'src/builder.cpp:1910,39'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/builder.cpp:1910,90'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo6ConfigeqERKS1_
        - Src:             'src/builder.cpp:1910,28'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1910,28'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1919,5'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1919,5'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1924,24'
          Dst:             _ZN9OpenBabel9OBBuilder13FixRingStereoENSt3__16vectorINS1_4pairImbEENS1_9allocatorIS4_EEEERNS_5OBMolERNS2_ImNS5_ImEEEE
        - Src:             'src/builder.cpp:1933,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/builder.cpp:1944,27'
          Dst:             _ZN9OpenBabel17TetrahedralFrom3DEPNS_5OBMolERKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEEb
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        - Src:             'src/builder.cpp:1943,29'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1957,33'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/builder.cpp:1957,7'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1961,43'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/builder.cpp:1961,32'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1967,51'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/builder.cpp:1968,22'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/builder.cpp:1968,73'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo6ConfigneERKS1_
        - Src:             'src/builder.cpp:1968,11'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1972,22'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/builder.cpp:1974,9'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/builder.cpp:1974,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:1974,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/builder.cpp:1968,11'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1975,19'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/builder.cpp:1976,31'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/builder.cpp:1976,51'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1978,33'
          Dst:             _ZN9OpenBabel9OBBuilder11IsSpiroAtomEmRNS_5OBMolE
        - Src:             'src/builder.cpp:1979,34'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1979,11'
          Dst:             _ZN9OpenBabel9OBBuilder9FlipSpiroERNS_5OBMolEi
        - Src:             'src/builder.cpp:1981,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1981,59'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1981,11'
          Dst:             _ZN9OpenBabel9OBBuilder4SwapERNS_5OBMolEiiii
        - Src:             'src/builder.cpp:1988,39'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1989,39'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/builder.cpp:1990,82'
          Dst:             _ZNK9OpenBabel6OBBond9GetLengthEv
        - Src:             'src/builder.cpp:1990,31'
          Dst:             _ZN9OpenBabel9OBBuilder16GetNewBondVectorEPNS_6OBAtomEd
        - Src:             'src/builder.cpp:1991,39'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1991,69'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1991,11'
          Dst:             _ZN9OpenBabel9OBBuilder14SwapWithVectorERNS_5OBMolEiiiRKNS_7vector3E
        - Src:             'src/builder.cpp:1992,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1992,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1994,5'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1994,5'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
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      linkageType:     InternalLinkage
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      functionLinenumberEnd: 1044
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      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         55
      ICount:          247
      EdgeCount:       106
      CyclomaticComplexity: 53
      functionsReached:
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        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel9OBBuilder7ConnectERNS_5OBMolEiiRNS_7vector3Ei
        - _ZN9OpenBabeldvERKNS_7vector3ERKd
        - _ZN9OpenBabelmiERKNS_7vector3ES2_
        - _ZN9OpenBabelmlERKdRKNS_7vector3E
        - _ZN9OpenBabelplERKNS_7vector3ES2_
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol7GetBondEii
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel6OBBond8IsInRingEv
        - _ZNK9OpenBabel7vector36lengthEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
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        - Src:             'src/builder.cpp:1002,21'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1003,21'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1004,21'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1010,25'
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        - Src:             'src/builder.cpp:1011,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/builder.cpp:1018,16'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/builder.cpp:1018,37'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/builder.cpp:1022,29'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/builder.cpp:1023,29'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/builder.cpp:1026,9'
          Dst:             _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
        - Src:             'src/builder.cpp:1027,9'
          Dst:             _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
        - Src:             'src/builder.cpp:1030,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1030,41'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1030,36'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1031,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1031,41'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1031,36'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1034,23'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1034,43'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/builder.cpp:1034,67'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/builder.cpp:1034,60'
          Dst:             _ZN9OpenBabeldvERKNS_7vector3ERKd
        - Src:             'src/builder.cpp:1034,52'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/builder.cpp:1034,35'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1034,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1034,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1035,23'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1035,43'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/builder.cpp:1035,67'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/builder.cpp:1035,60'
          Dst:             _ZN9OpenBabeldvERKNS_7vector3ERKd
        - Src:             'src/builder.cpp:1035,52'
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          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1035,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1035,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1038,10'
          Dst:             _ZN9OpenBabel9OBBuilder7ConnectERNS_5OBMolEiiRNS_7vector3Ei
        - Src:             'src/builder.cpp:1034,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1034,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1035,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1035,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1044,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1040,10'
          Dst:             _ZN9OpenBabel9OBBuilder7ConnectERNS_5OBMolEiiRNS_7vector3Ei
        - Src:             'src/builder.cpp:1044,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1044,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1044,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1044,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1044,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1044,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1044,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      linkageType:     InternalLinkage
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      functionLinenumberEnd: 997
      functionDepth:   0
      returnType:      bool
      argCount:        5
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         42
      ICount:          205
      EdgeCount:       77
      CyclomaticComplexity: 37
      functionsReached:
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        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel9OBBuilder7ConnectERNS_5OBMolEiiRNS_7vector3Ei
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        - _ZNK9OpenBabel6OBBond8IsInRingEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:961,21'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:962,21'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:968,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/builder.cpp:975,16'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/builder.cpp:979,29'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/builder.cpp:982,9'
          Dst:             _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
        - Src:             'src/builder.cpp:985,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:985,41'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:985,36'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:986,41'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:986,36'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:989,23'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:989,43'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/builder.cpp:989,67'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/builder.cpp:989,60'
          Dst:             _ZN9OpenBabeldvERKNS_7vector3ERKd
        - Src:             'src/builder.cpp:989,52'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/builder.cpp:989,35'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:989,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:989,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:990,23'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:990,43'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/builder.cpp:990,67'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/builder.cpp:990,60'
          Dst:             _ZN9OpenBabeldvERKNS_7vector3ERKd
        - Src:             'src/builder.cpp:990,52'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/builder.cpp:990,35'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:990,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:990,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:993,10'
          Dst:             _ZN9OpenBabel9OBBuilder7ConnectERNS_5OBMolEiiRNS_7vector3Ei
        - Src:             'src/builder.cpp:997,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:997,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:997,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:997,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:989,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:989,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:990,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:990,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:997,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:997,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:997,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:997,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel9OBBuilder18CorrectStereoBondsERNS_5OBMolE
      functionSourceFile: '/src/openbabel/src/builder.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1691
      functionLinenumberEnd: 1768
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         117
      ICount:          572
      EdgeCount:       219
      CyclomaticComplexity: 104
      functionsReached:
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        - _ZN9OpenBabel14CisTransFrom3DEPNS_5OBMolERKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEEb
        - _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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        - _ZN9OpenBabel5OBMol10SetTorsionEPNS_6OBAtomES2_S2_S2_d
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      BranchProfiles:  []
      Callsites:
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        - Src:             'src/builder.cpp:1700,13'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
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          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
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          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
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          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/builder.cpp:1703,72'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1702,11'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1704,29'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/builder.cpp:1702,11'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
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          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
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          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/builder.cpp:1722,24'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/builder.cpp:1723,5'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1723,5'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1729,56'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
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          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
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          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
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          Dst:             _ZNK9OpenBabel16OBCisTransStereo6ConfigneERKS1_
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
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          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1760,5'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1760,5'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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      BBCount:         651
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        - _ZN9OpenBabel8OBBitVecoRERKS0_
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        - _ZN9OpenBabelmlERKdRKNS_7vector3E
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        - _ZNK9OpenBabel16OBMolAtomDFSIterdeEv
        - _ZNK9OpenBabel16OBMolAtomDFSIterptEv
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        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol12GetDimensionEv
        - _ZNK9OpenBabel5OBMol7GetAtomEi
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        - _ZNK9OpenBabel5OBMol7GetBondEi
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        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel5OBMol8NumBondsEv
        - _ZNK9OpenBabel6OBAtom6GetHybEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBAtom8IsInRingEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - _ZNK9OpenBabel6OBBond6GetIdxEv
        - _ZNK9OpenBabel6OBBond8GetFlagsEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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      BranchProfiles:  []
      Callsites:
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        - Src:             'src/builder.cpp:1081,14'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/builder.cpp:1084,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:1084,21'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:1090,18'
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        - Src:             'src/builder.cpp:1094,13'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:1096,9'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1096,21'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/builder.cpp:1099,21'
          Dst:             _ZN9OpenBabel5OBMolC2ERKS0_
        - Src:             'src/builder.cpp:1102,17'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/builder.cpp:1103,15'
          Dst:             _ZN9OpenBabel5OBMol12SetDimensionEt
        - Src:             'src/builder.cpp:1108,20'
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          Dst:             _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
        - Src:             'src/builder.cpp:1114,13'
          Dst:             _ZN9OpenBabel5OBMol25SetHybridizationPerceivedEb
        - Src:             'src/builder.cpp:1122,14'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/builder.cpp:1123,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/builder.cpp:1123,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:1123,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/builder.cpp:1128,14'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/builder.cpp:1124,34'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1124,19'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/builder.cpp:1129,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/builder.cpp:1129,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:1129,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/builder.cpp:1136,11'
          Dst:             _ZN9OpenBabel5OBMolC2Ev
        - Src:             'src/builder.cpp:1130,17'
          Dst:             _ZN9OpenBabel6OBBond7IsRotorEb
        - Src:             'src/builder.cpp:1131,39'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/builder.cpp:1131,24'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/builder.cpp:1137,9'
          Dst:             _ZN9OpenBabel5OBMol16CopySubstructureERS0_PNS_8OBBitVecES3_jPNSt3__16vectorIjNS4_9allocatorIjEEEES9_
        - Src:             'src/builder.cpp:1140,40'
          Dst:             _ZN9OpenBabel5OBMol8SeparateEi
        - Src:             'src/builder.cpp:1144,7'
          Dst:             _ZN9OpenBabel9OBBuilder13LoadFragmentsEv
        - Src:             'src/builder.cpp:1252,5'
          Dst:             _ZN9OpenBabel16OBMolAtomDFSIterC2ERNS_5OBMolEi
        - Src:             'src/builder.cpp:1148,42'
          Dst:             _ZN9OpenBabel12OBConversion11WriteStringEPNS_6OBBaseEb
        - Src:             'src/builder.cpp:1152,25'
          Dst:             _ZN9OpenBabel15OBSmartsPatternC2Ev
        - Src:             'src/builder.cpp:1153,17'
          Dst:             _ZN9OpenBabel15OBSmartsPattern4InitERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/builder.cpp:1154,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/builder.cpp:1155,23'
          Dst:             _ZN9OpenBabel15OBSmartsPattern5MatchERNS_5OBMolEb
        - Src:             'src/builder.cpp:1157,22'
          Dst:             _ZN9OpenBabel15OBSmartsPattern11GetUMapListEv
        - Src:             'src/builder.cpp:1162,25'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:1169,21'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/builder.cpp:1172,43'
          Dst:             _ZN9OpenBabel9OBBuilder16GetFragmentCoordENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/builder.cpp:1175,38'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1176,21'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:1181,35'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1183,37'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1184,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/builder.cpp:1186,27'
          Dst:             _ZN9OpenBabel5OBMol7AddBondERNS_6OBBondE
        - Src:             'src/builder.cpp:1192,7'
          Dst:             _ZN9OpenBabel15OBSmartsPatternD2Ev
        - Src:             'src/builder.cpp:1192,7'
          Dst:             _ZN9OpenBabel15OBSmartsPatternD2Ev
        - Src:             'src/builder.cpp:1192,7'
          Dst:             _ZN9OpenBabel15OBSmartsPatternD2Ev
        - Src:             'src/builder.cpp:1196,9'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/builder.cpp:1196,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:1196,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/builder.cpp:1197,18'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/builder.cpp:1207,83'
          Dst:             _ZNK9OpenBabel15OBSmartsPattern8NumAtomsEv
        - Src:             'src/builder.cpp:1213,48'
          Dst:             _ZN9OpenBabel15OBSmartsPattern5MatchERNS_5OBMolEb
        - Src:             'src/builder.cpp:1214,23'
          Dst:             _ZN9OpenBabel15OBSmartsPattern5MatchERNS_5OBMolEb
        - Src:             'src/builder.cpp:1215,31'
          Dst:             _ZN9OpenBabel15OBSmartsPattern11GetUMapListEv
        - Src:             'src/builder.cpp:1220,27'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:1227,23'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/builder.cpp:1232,40'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1233,23'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:1237,37'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1239,39'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1240,41'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/builder.cpp:1242,29'
          Dst:             _ZN9OpenBabel5OBMol7AddBondERNS_6OBBondE
        - Src:             'src/builder.cpp:1252,5'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSItercvbEv
        - Src:             'src/builder.cpp:1252,5'
          Dst:             _ZN9OpenBabel16OBMolAtomDFSIterD2Ev
        - Src:             'src/builder.cpp:1322,14'
          Dst:             _ZN9OpenBabel5OBMol16HasSSSRPerceivedEv
        - Src:             'src/builder.cpp:1253,26'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1253,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1253,17'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:1258,7'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterdeEv
        - Src:             'src/builder.cpp:1258,7'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/builder.cpp:1258,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/builder.cpp:1258,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/builder.cpp:1258,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:1263,26'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1263,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1263,17'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:1258,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/builder.cpp:1259,33'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1259,19'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:1258,7'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/builder.cpp:1258,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:1265,34'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1265,44'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1265,47'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1265,76'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterdeEv
        - Src:             'src/builder.cpp:1265,61'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/builder.cpp:1265,81'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/builder.cpp:1265,11'
          Dst:             _ZN9OpenBabel9OBBuilder7ConnectERNS_5OBMolEiii
        - Src:             'src/builder.cpp:1267,45'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1267,55'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1267,58'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1267,31'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/builder.cpp:1267,69'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/builder.cpp:1268,33'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1268,43'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1268,46'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1268,19'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/builder.cpp:1268,57'
          Dst:             _ZN9OpenBabel6OBBond12SetBondOrderEi
        - Src:             'src/builder.cpp:1271,57'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1271,60'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1271,49'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1271,29'
          Dst:             _ZN9OpenBabel9OBBuilder11GetFragmentEPNS_6OBAtomE
        - Src:             'src/builder.cpp:1272,15'
          Dst:             _ZN9OpenBabel8OBBitVecoRERKS0_
        - Src:             'src/builder.cpp:1275,7'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:1275,7'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:1283,24'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1283,27'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/builder.cpp:1283,42'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/builder.cpp:1284,13'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1284,16'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/builder.cpp:1284,31'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/builder.cpp:1287,63'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1287,49'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1288,57'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1288,60'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1288,49'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1287,18'
          Dst:             _ZN9OpenBabel22GetCorrectedBondVectorEPNS_6OBAtomES1_i
        - Src:             'src/builder.cpp:1287,16'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1287,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1290,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1290,35'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1290,60'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1290,25'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1290,16'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1290,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1295,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:1296,22'
          Dst:             _ZN9OpenBabel7vector316randomUnitVectorEv
        - Src:             'src/builder.cpp:1297,27'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/builder.cpp:1297,21'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1297,16'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1297,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1297,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1298,28'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/builder.cpp:1298,21'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1298,16'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1298,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1298,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1299,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1297,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1298,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1299,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1301,22'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1301,25'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1301,13'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/builder.cpp:1304,38'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1304,41'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1304,30'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1305,13'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:1309,24'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1309,27'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/builder.cpp:1310,17'
          Dst:             _ZN9OpenBabel5OBMol7AddBondERNS_6OBBondE
        - Src:             'src/builder.cpp:1252,5'
          Dst:             _ZN9OpenBabel16OBMolAtomDFSIterppEv
        - Src:             'src/builder.cpp:1252,5'
          Dst:             _ZN9OpenBabel16OBMolAtomDFSIterD2Ev
        - Src:             'src/builder.cpp:1323,11'
          Dst:             _ZN9OpenBabel5OBMol8FindSSSREv
        - Src:             'src/builder.cpp:1324,33'
          Dst:             _ZN9OpenBabel5OBMol7GetSSSREv
        - Src:             'src/builder.cpp:1334,7'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/builder.cpp:1334,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:1334,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/builder.cpp:1347,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:1335,20'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/builder.cpp:1336,20'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/builder.cpp:1337,22'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/builder.cpp:1348,38'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:1351,13'
          Dst:             '_ZZN9OpenBabel9OBBuilder5BuildERNS_5OBMolEbENK3$_0clEii'
        - Src:             'src/builder.cpp:1361,34'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1362,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/builder.cpp:1362,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/builder.cpp:1362,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/builder.cpp:1362,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:1362,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/builder.cpp:1363,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1362,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/builder.cpp:1362,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:1378,45'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:1378,17'
          Dst:             _ZN9OpenBabel6OBRingC2ERNSt3__16vectorIiNS1_9allocatorIiEEEEi
        - Src:             'src/builder.cpp:1379,15'
          Dst:             _ZN9OpenBabel6OBRing9SetParentEPNS_5OBMolE
        - Src:             'src/builder.cpp:1400,50'
          Dst:             _ZN9OpenBabelanERKNS_8OBBitVecES2_
        - Src:             'src/builder.cpp:1401,24'
          Dst:             _ZNK9OpenBabel8OBBitVec9CountBitsEv
        - Src:             'src/builder.cpp:1405,11'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:1405,11'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:1418,23'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:1443,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/builder.cpp:1459,31'
          Dst:             _ZN9OpenBabel6OBRing10IsAromaticEv
        - Src:             'src/builder.cpp:1463,27'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1463,39'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/builder.cpp:1477,24'
          Dst:             _ZN9OpenBabel14OBDaleTorsionsEidd
        - Src:             'src/builder.cpp:1491,40'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1492,40'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1493,40'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1494,40'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1491,21'
          Dst:             _ZN9OpenBabel5OBMol10SetTorsionEPNS_6OBAtomES2_S2_S2_d
        - Src:             'src/builder.cpp:1505,20'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/builder.cpp:1506,34'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEi
        - Src:             'src/builder.cpp:1506,15'
          Dst:             _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
        - Src:             'src/builder.cpp:1509,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/builder.cpp:1509,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:1509,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/builder.cpp:1557,20'
          Dst:             _ZN9OpenBabel9OBBuilder18CorrectStereoBondsERNS_5OBMolE
        - Src:             'src/builder.cpp:1510,21'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/builder.cpp:1511,19'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/builder.cpp:1512,44'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/builder.cpp:1512,63'
          Dst:             _ZNK9OpenBabel6OBBond8GetFlagsEv
        - Src:             'src/builder.cpp:1512,15'
          Dst:             _ZN9OpenBabel5OBMol7AddBondEiiiii
        - Src:             'src/builder.cpp:1559,26'
          Dst:             _ZN9OpenBabel9OBBuilder18CorrectStereoAtomsERNS_5OBMolEb
        - Src:             'src/builder.cpp:1568,9'
          Dst:             _ZN9OpenBabel5OBMolaSERKS0_
        - Src:             'src/builder.cpp:1569,9'
          Dst:             _ZN9OpenBabel5OBMol21SetChiralityPerceivedEb
        - Src:             'src/builder.cpp:1570,9'
          Dst:             _ZN9OpenBabel5OBMol12SetDimensionEt
        - Src:             'src/builder.cpp:1573,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/builder.cpp:1573,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:1573,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/builder.cpp:1574,22'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1574,19'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/builder.cpp:1575,18'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/builder.cpp:1575,10'
          Dst:             _ZN9OpenBabel5IsNanERKd
        - Src:             'src/builder.cpp:1575,34'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/builder.cpp:1575,26'
          Dst:             _ZN9OpenBabel5IsNanERKd
        - Src:             'src/builder.cpp:1575,50'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/builder.cpp:1575,42'
          Dst:             _ZN9OpenBabel5IsNanERKd
        - Src:             'src/builder.cpp:1579,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1579,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1579,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1581,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/builder.cpp:1584,3'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
        - Src:             'src/builder.cpp:1584,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:1584,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZN9OpenBabel5OBMolD2Ev
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        - _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
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          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/canon.cpp:945,11'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl5StateD2Ev
        - Src:             'src/canon.cpp:945,11'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/canon.cpp:949,9'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl8FullCodeD2Ev
        - Src:             'src/canon.cpp:949,9'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/canon.cpp:949,9'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl8FullCodeD2Ev
        - Src:             'src/canon.cpp:949,9'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/canon.cpp:955,67'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/canon.cpp:960,58'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/canon.cpp:971,16'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl11PartialCode3addEPNS_6OBAtomES3_
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        - Src:             'src/canon.cpp:989,46'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/canon.cpp:991,29'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/canon.cpp:989,46'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/canon.cpp:999,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/canon.cpp:999,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/canon.cpp:999,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/canon.cpp:1000,48'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/canon.cpp:999,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/canon.cpp:999,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/canon.cpp:1010,20'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl11PartialCode3addEPNS_6OBAtomES3_
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          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/canon.cpp:1026,33'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/canon.cpp:1039,9'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl24CanonicalLabelsRecursiveEPNS_6OBAtomEjRNS0_7TimeoutERNS0_8FullCodeERNS0_5StateE
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          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl11PartialCode3addEPNS_6OBAtomES3_
        - Src:             'src/canon.cpp:1035,32'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/canon.cpp:1046,32'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
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        - _ZN9OpenBabel8OBBitVecC2Ev
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
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      BranchProfiles:  []
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          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/canon.cpp:135,14'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
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          Dst:             _ZZN9OpenBabel11getFragmentEPNS_6OBAtomES1_RKNS_8OBBitVecEEN15getFragmentImpl7addNbrsERS2_S1_S1_S4_
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      functionsReached:
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          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/canon.cpp:704,17'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/canon.cpp:706,17'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/canon.cpp:707,7'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl11PartialCodeD2Ev
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        - _ZN9OpenBabel19CanonicalLabelsImpl11PartialCode3addEPNS_6OBAtomES3_
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        - _ZN9OpenBabel19CanonicalLabelsImpl24CanonicalLabelsRecursiveEPNS_6OBAtomEjRNS0_7TimeoutERNS0_8FullCodeERNS0_5StateE
        - _ZN9OpenBabel19CanonicalLabelsImpl7Timeout9isExpiredEv
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      BranchProfiles:  []
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          Dst:             _ZNK9OpenBabel8OBBitVec9CountBitsEv
        - Src:             'src/canon.cpp:1215,18'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl8FullCodeC2Ev
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          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl12CompleteCodeEPNS_5OBMolERNS0_8FullCodeERNS0_5StateE
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          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl10FindOrbitsERNSt3__16vectorINS2_IPNS_6OBAtomENS1_9allocatorIS4_EEEENS5_IS7_EEEEPNS_5OBMolERKNS2_IjNS5_IjEEEESG_
        - Src:             'src/canon.cpp:1251,29'
          Dst:             _ZNK9OpenBabel19CanonicalLabelsImpl8FullCodegtERKS1_
        - Src:             'src/canon.cpp:1253,20'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl8FullCodeaSERKS1_
        - Src:             'src/canon.cpp:1258,41'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl8FullCodeC2Ev
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          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl8FullCodeD2Ev
        - Src:             'src/canon.cpp:1258,11'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl8FullCodeD2Ev
        - Src:             'src/canon.cpp:1268,7'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl8FullCodeD2Ev
        - Src:             'src/canon.cpp:1268,7'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl8FullCodeD2Ev
        - Src:             'src/canon.cpp:1271,19'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl7Timeout9isExpiredEv
        - Src:             'src/canon.cpp:1281,16'
          Dst:             _ZNK9OpenBabel19CanonicalLabelsImpl11PartialCodeltERKNS0_8FullCodeE
        - Src:             'src/canon.cpp:1288,7'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/canon.cpp:1288,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/canon.cpp:1288,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/canon.cpp:1288,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/canon.cpp:1288,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/canon.cpp:1290,43'
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      BranchProfiles:  []
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        - Src:             'src/canon.cpp:105,14'
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        - Src:             'src/canon.cpp:107,5'
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        - Src:             'src/canon.cpp:109,3'
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      ICount:          97
      EdgeCount:       21
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      functionsReached:
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/canon.cpp:80,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/canon.cpp:80,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/canon.cpp:80,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/canon.cpp:81,17'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/canon.cpp:84,34'
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        - Src:             'src/canon.cpp:88,19'
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        - Src:             'src/canon.cpp:80,5'
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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      ICount:          784
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        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
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          Dst:             _ZN9OpenBabel4impl11MolGetAtomsEPKNS_5OBMolE
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/canon.cpp:1669,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/canon.cpp:1670,33'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/canon.cpp:1670,18'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/canon.cpp:1675,7'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl19CalcCanonicalLabelsEPNS_5OBMolERKNSt3__16vectorIjNS3_9allocatorIjEEEERS7_RKNS4_INS_12OBStereoUnitENS5_ISB_EEEERKNS_8OBBitVecEPNS_14OBStereoFacadeEib
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          Dst:             _ZN9OpenBabel20findMetalloceneBondsERNSt3__16vectorIPNS_6OBBondENS0_9allocatorIS3_EEEEPNS_5OBMolERKNS1_IjNS4_IjEEEE
        - Src:             'src/canon.cpp:1682,22'
          Dst:             _ZN9OpenBabel14OBStereoFacadeC2EPNS_5OBMolEb
        - Src:             'src/canon.cpp:1683,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsEPKNS_5OBMolE
        - Src:             'src/canon.cpp:1683,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/canon.cpp:1683,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/canon.cpp:1684,9'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/canon.cpp:1684,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/canon.cpp:1684,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/canon.cpp:1687,43'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/canon.cpp:1687,16'
          Dst:             _ZN9OpenBabel14OBStereoFacade20HasTetrahedralStereoEm
        - Src:             'src/canon.cpp:1688,45'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/canon.cpp:1688,18'
          Dst:             _ZN9OpenBabel14OBStereoFacade20GetTetrahedralStereoEm
        - Src:             'src/canon.cpp:1688,55'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/canon.cpp:1688,15'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/canon.cpp:1694,7'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsEPKNS_5OBMolE
        - Src:             'src/canon.cpp:1694,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/canon.cpp:1694,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/canon.cpp:1695,40'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/canon.cpp:1695,16'
          Dst:             _ZN9OpenBabel14OBStereoFacade17HasCisTransStereoEm
        - Src:             'src/canon.cpp:1696,42'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/canon.cpp:1696,18'
          Dst:             _ZN9OpenBabel14OBStereoFacade17GetCisTransStereoEm
        - Src:             'src/canon.cpp:1696,52'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - Src:             'src/canon.cpp:1696,15'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/canon.cpp:1704,9'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl19CalcCanonicalLabelsEPNS_5OBMolERKNSt3__16vectorIjNS3_9allocatorIjEEEERS7_RKNS4_INS_12OBStereoUnitENS5_ISB_EEEERKNS_8OBBitVecEPNS_14OBStereoFacadeEib
        - Src:             'src/canon.cpp:1709,37'
          Dst:             _ZN9OpenBabel20FindStereogenicUnitsEPNS_5OBMolERKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - Src:             'src/canon.cpp:1712,53'
          Dst:             _ZN9OpenBabel6OBBase10GetAllDataEj
        - Src:             'src/canon.cpp:1717,37'
          Dst:             __dynamic_cast
        - Src:             'src/canon.cpp:1718,52'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/canon.cpp:1720,20'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo7IsValidEv
        - Src:             'src/canon.cpp:1722,33'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/canon.cpp:1725,21'
          Dst:             _ZN9OpenBabel13isTetrahedralEPNS_6OBAtomERKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEE
        - Src:             'src/canon.cpp:1730,17'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo9SetConfigERKNS0_6ConfigE
        - Src:             'src/canon.cpp:1732,9'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/canon.cpp:1732,9'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/canon.cpp:1734,34'
          Dst:             __dynamic_cast
        - Src:             'src/canon.cpp:1735,49'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - Src:             'src/canon.cpp:1737,20'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo7IsValidEv
        - Src:             'src/canon.cpp:1739,36'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/canon.cpp:1740,34'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/canon.cpp:1744,33'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/canon.cpp:1747,23'
          Dst:             _ZN9OpenBabel10isCisTransEPNS_6OBBondERKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEE
        - Src:             'src/canon.cpp:1753,17'
          Dst:             _ZN9OpenBabel16OBCisTransStereo9SetConfigERKNS0_6ConfigE
        - Src:             'src/canon.cpp:1755,9'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/canon.cpp:1755,9'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/canon.cpp:1759,17'
          Dst:             _ZN9OpenBabel5OBMol21HasChiralityPerceivedEv
        - Src:             'src/canon.cpp:1760,22'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/canon.cpp:1762,18'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataEj
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          Dst:             _ZN9OpenBabel17TetrahedralFrom2DEPNS_5OBMolERKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEEb
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          Dst:             _ZN9OpenBabel14CisTransFrom2DEPNS_5OBMolERKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEEPKNS2_3mapIPNS_6OBBondENS_8OBStereo13BondDirectionENS2_4lessISC_EENS5_INS2_4pairIKSC_SE_EEEEEEb
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          Dst:             _ZN9OpenBabel17TetrahedralFrom3DEPNS_5OBMolERKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEEb
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          Dst:             _ZN9OpenBabel14CisTransFrom3DEPNS_5OBMolERKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEEb
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          Dst:             _ZN9OpenBabel14CisTransFrom0DEPNS_5OBMolERKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEEb
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          Dst:             _ZN9OpenBabel14OBStereoFacadeC2EPNS_5OBMolEb
        - Src:             'src/canon.cpp:1783,7'
          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl19CalcCanonicalLabelsEPNS_5OBMolERKNSt3__16vectorIjNS3_9allocatorIjEEEERS7_RKNS4_INS_12OBStereoUnitENS5_ISB_EEEERKNS_8OBBitVecEPNS_14OBStereoFacadeEib
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          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
        - Src:             'src/canon.cpp:1784,5'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
        - Src:             'src/canon.cpp:1784,5'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
        - Src:             'src/canon.cpp:1790,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/canon.cpp:1790,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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      BBCount:         3
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      EdgeCount:       3
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      functionsReached:
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        - _ZN9OpenBabel14OBChainsParserD2Ev
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel14OBChainsParserC2Ev
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          Dst:             __cxa_atexit
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      ICount:          106
      EdgeCount:       44
      CyclomaticComplexity: 14
      functionsReached:
        - _ZN9OpenBabel14OBChainsParser15MatchConstraintEPNS_6OBAtomEi
        - _ZN9OpenBabel14OBChainsParser17Match3ConstraintsEPNS_8TemplateEPNS_6OBAtomES4_S4_
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/chains.cpp:1351,9'
          Dst:             _ZN9OpenBabel14OBChainsParser15MatchConstraintEPNS_6OBAtomEi
        - Src:             'src/chains.cpp:1352,11'
          Dst:             _ZN9OpenBabel14OBChainsParser17Match3ConstraintsEPNS_8TemplateEPNS_6OBAtomES4_S4_
        - Src:             'src/chains.cpp:1354,9'
          Dst:             _ZN9OpenBabel14OBChainsParser15MatchConstraintEPNS_6OBAtomEi
        - Src:             'src/chains.cpp:1355,11'
          Dst:             _ZN9OpenBabel14OBChainsParser17Match3ConstraintsEPNS_8TemplateEPNS_6OBAtomES4_S4_
        - Src:             'src/chains.cpp:1357,9'
          Dst:             _ZN9OpenBabel14OBChainsParser15MatchConstraintEPNS_6OBAtomEi
        - Src:             'src/chains.cpp:1358,11'
          Dst:             _ZN9OpenBabel14OBChainsParser17Match3ConstraintsEPNS_8TemplateEPNS_6OBAtomES4_S4_
        - Src:             'src/chains.cpp:1360,9'
          Dst:             _ZN9OpenBabel14OBChainsParser15MatchConstraintEPNS_6OBAtomEi
        - Src:             'src/chains.cpp:1361,11'
          Dst:             _ZN9OpenBabel14OBChainsParser17Match3ConstraintsEPNS_8TemplateEPNS_6OBAtomES4_S4_
    - functionName:    _ZN9OpenBabel14OBChainsParser17TracePeptideChainERNS_5OBMolEji
      functionSourceFile: '/src/openbabel/src/chains.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1367
      functionLinenumberEnd: 1486
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
        - 'N/A'
        - 'N/A'
        - int
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         76
      ICount:          446
      EdgeCount:       104
      CyclomaticComplexity: 30
      functionsReached:
        - _ZN9OpenBabel14OBChainsParser17TracePeptideChainERNS_5OBMolEji
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
      functionUses:    4
      BranchProfiles:
        - Branch String:   'src/chains.cpp:1403,5'
          Branch Sides:    []
      Callsites:
        - Src:             'src/chains.cpp:1383,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/chains.cpp:1384,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:1390,22'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/chains.cpp:1391,16'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/chains.cpp:1392,35'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:1390,58'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/chains.cpp:1411,17'
          Dst:             _ZN9OpenBabel14OBChainsParser17TracePeptideChainERNS_5OBMolEji
        - Src:             'src/chains.cpp:1475,19'
          Dst:             _ZN9OpenBabel14OBChainsParser17TracePeptideChainERNS_5OBMolEji
        - Src:             'src/chains.cpp:0,0'
          Dst:             _ZN9OpenBabel14OBChainsParser17TracePeptideChainERNS_5OBMolEji
    - functionName:    _ZN9OpenBabel14OBChainsParser17ConstrainBackboneERNS_5OBMolEPNS_8TemplateEi
      functionSourceFile: '/src/openbabel/src/chains.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1226
      functionLinenumberEnd: 1302
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         85
      ICount:          390
      EdgeCount:       117
      CyclomaticComplexity: 34
      functionsReached:
        - _ZN9OpenBabel14OBChainsParser15MatchConstraintEPNS_6OBAtomEi
        - _ZN9OpenBabel14OBChainsParser17Match2ConstraintsEPNS_8TemplateEPNS_6OBAtomES4_
        - _ZN9OpenBabel14OBChainsParser17Match3ConstraintsEPNS_8TemplateEPNS_6OBAtomES4_S4_
        - _ZN9OpenBabel14OBChainsParser17Match4ConstraintsEPNS_8TemplateEPNS_6OBAtomES4_S4_S4_
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/chains.cpp:1243,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/chains.cpp:1245,21'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:1248,68'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/chains.cpp:1249,68'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/chains.cpp:1243,54'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/chains.cpp:1245,21'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:1243,54'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/chains.cpp:1258,25'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/chains.cpp:1260,25'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:1264,34'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/chains.cpp:1265,28'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/chains.cpp:1264,70'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/chains.cpp:1284,34'
          Dst:             _ZN9OpenBabel14OBChainsParser17Match4ConstraintsEPNS_8TemplateEPNS_6OBAtomES4_S4_S4_
        - Src:             'src/chains.cpp:1286,34'
          Dst:             _ZN9OpenBabel14OBChainsParser17Match3ConstraintsEPNS_8TemplateEPNS_6OBAtomES4_S4_
        - Src:             'src/chains.cpp:1288,34'
          Dst:             _ZN9OpenBabel14OBChainsParser17Match2ConstraintsEPNS_8TemplateEPNS_6OBAtomES4_
        - Src:             'src/chains.cpp:1290,34'
          Dst:             _ZN9OpenBabel14OBChainsParser15MatchConstraintEPNS_6OBAtomEi
        - Src:             'src/chains.cpp:1258,58'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
    - functionName:    _ZN9OpenBabel14OBChainsParser12RecurseChainERNS_5OBMolEji
      functionSourceFile: '/src/openbabel/src/chains.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1147
      functionLinenumberEnd: 1170
      functionDepth:   0
      returnType:      int
      argCount:        4
      argTypes:
        - 'N/A'
        - 'N/A'
        - int
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         14
      ICount:          71
      EdgeCount:       18
      CyclomaticComplexity: 6
      functionsReached:
        - _ZN9OpenBabel14OBChainsParser12RecurseChainERNS_5OBMolEji
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
      functionUses:    3
      BranchProfiles:  []
      Callsites:
        - Src:             'src/chains.cpp:1152,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/chains.cpp:1155,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/chains.cpp:1162,22'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/chains.cpp:1163,20'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:1165,19'
          Dst:             _ZN9OpenBabel14OBChainsParser12RecurseChainERNS_5OBMolEji
        - Src:             'src/chains.cpp:1162,56'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
    - functionName:    _ZN9OpenBabel14OBChainsParser18DetermineHydrogensERNS_5OBMolE
      functionSourceFile: '/src/openbabel/src/chains.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1820
      functionLinenumberEnd: 1862
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         33
      ICount:          193
      EdgeCount:       44
      CyclomaticComplexity: 13
      functionsReached:
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/chains.cpp:1824,19'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/chains.cpp:1833,20'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/chains.cpp:1834,16'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/chains.cpp:1836,23'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/chains.cpp:1839,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:1840,27'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:1833,52'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/chains.cpp:1853,20'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/chains.cpp:1854,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/chains.cpp:1856,23'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/chains.cpp:1857,46'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:1858,27'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:1853,53'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
    - functionName:    _ZN9OpenBabel14OBChainsParser26DetermineNucleicSidechainsERNS_5OBMolE
      functionSourceFile: '/src/openbabel/src/chains.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1804
      functionLinenumberEnd: 1812
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         12
      ICount:          64
      EdgeCount:       15
      CyclomaticComplexity: 5
      functionsReached:
        - _ZN9OpenBabel14OBChainsParser13AssignResidueERNS_5OBMolEiii
        - _ZN9OpenBabel14OBChainsParser15IdentifyResidueEPvRNS_5OBMolEji
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/chains.cpp:1805,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/chains.cpp:1808,23'
          Dst:             _ZN9OpenBabel14OBChainsParser15IdentifyResidueEPvRNS_5OBMolEji
        - Src:             'src/chains.cpp:1809,11'
          Dst:             _ZN9OpenBabel14OBChainsParser13AssignResidueERNS_5OBMolEiii
        - Src:             'src/chains.cpp:1805,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
    - functionName:    _ZN9OpenBabel14OBChainsParser24DetermineNucleicBackboneERNS_5OBMolE
      functionSourceFile: '/src/openbabel/src/chains.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1642
      functionLinenumberEnd: 1664
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         17
      ICount:          75
      EdgeCount:       22
      CyclomaticComplexity: 7
      functionsReached:
        - _ZN9OpenBabel14OBChainsParser17ConstrainBackboneERNS_5OBMolEPNS_8TemplateEi
        - _ZN9OpenBabel14OBChainsParser17TraceNucleicChainERNS_5OBMolEji
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/chains.cpp:1643,5'
          Dst:             _ZN9OpenBabel14OBChainsParser17ConstrainBackboneERNS_5OBMolEPNS_8TemplateEi
        - Src:             'src/chains.cpp:1645,22'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/chains.cpp:0,0'
          Dst:             _ZN9OpenBabel14OBChainsParser17TraceNucleicChainERNS_5OBMolEji
    - functionName:    _ZN9OpenBabel14OBChainsParser26DeterminePeptideSidechainsERNS_5OBMolE
      functionSourceFile: '/src/openbabel/src/chains.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1493
      functionLinenumberEnd: 1504
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         12
      ICount:          62
      EdgeCount:       15
      CyclomaticComplexity: 5
      functionsReached:
        - _ZN9OpenBabel14OBChainsParser13AssignResidueERNS_5OBMolEiii
        - _ZN9OpenBabel14OBChainsParser15IdentifyResidueEPvRNS_5OBMolEji
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/chains.cpp:1495,19'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/chains.cpp:1500,19'
          Dst:             _ZN9OpenBabel14OBChainsParser15IdentifyResidueEPvRNS_5OBMolEji
        - Src:             'src/chains.cpp:1501,11'
          Dst:             _ZN9OpenBabel14OBChainsParser13AssignResidueERNS_5OBMolEiii
    - functionName:    _ZN9OpenBabel14OBChainsParser24DeterminePeptideBackboneERNS_5OBMolE
      functionSourceFile: '/src/openbabel/src/chains.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1177
      functionLinenumberEnd: 1223
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         51
      ICount:          238
      EdgeCount:       68
      CyclomaticComplexity: 19
      functionsReached:
        - _ZN9OpenBabel14OBChainsParser17ConstrainBackboneERNS_5OBMolEPNS_8TemplateEi
        - _ZN9OpenBabel14OBChainsParser17TracePeptideChainERNS_5OBMolEji
        - _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - _ZNK9OpenBabel6OBBond6GetIdxEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/chains.cpp:1178,5'
          Dst:             _ZN9OpenBabel14OBChainsParser17ConstrainBackboneERNS_5OBMolEPNS_8TemplateEi
        - Src:             'src/chains.cpp:1180,36'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/chains.cpp:0,0'
          Dst:             _ZN9OpenBabel14OBChainsParser17TracePeptideChainERNS_5OBMolEji
        - Src:             'src/chains.cpp:1215,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/chains.cpp:1217,28'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/chains.cpp:1217,71'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/chains.cpp:1218,28'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/chains.cpp:1218,71'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/chains.cpp:1219,23'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/chains.cpp:1215,54'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
    - functionName:    _ZN9OpenBabel14OBChainsParser24DetermineConnectedChainsERNS_5OBMolE
      functionSourceFile: '/src/openbabel/src/chains.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1096
      functionLinenumberEnd: 1143
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         52
      ICount:          246
      EdgeCount:       71
      CyclomaticComplexity: 21
      functionsReached:
        - _ZN9OpenBabel14OBChainsParser12RecurseChainERNS_5OBMolEji
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/chains.cpp:1103,33'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/chains.cpp:1107,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/chains.cpp:1108,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:1109,57'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/chains.cpp:1110,16'
          Dst:             _ZN9OpenBabel14OBChainsParser12RecurseChainERNS_5OBMolEji
        - Src:             'src/chains.cpp:1114,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/chains.cpp:1107,54'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/chains.cpp:1108,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:1109,57'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/chains.cpp:1110,16'
          Dst:             _ZN9OpenBabel14OBChainsParser12RecurseChainERNS_5OBMolEji
        - Src:             'src/chains.cpp:1114,34'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/chains.cpp:1107,54'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
    - functionName:    _ZN9OpenBabel14OBChainsParser17DetermineHetAtomsERNS_5OBMolE
      functionSourceFile: '/src/openbabel/src/chains.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1071
      functionLinenumberEnd: 1089
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
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      constantsTouched: []
      argNames:
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        - ''
      BBCount:         16
      ICount:          80
      EdgeCount:       21
      CyclomaticComplexity: 7
      functionsReached:
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/chains.cpp:1076,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/chains.cpp:1077,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/chains.cpp:1077,65'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/chains.cpp:1080,32'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:1082,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/chains.cpp:1076,54'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
    - functionName:    _ZN9OpenBabel14OBChainsParser14PerceiveChainsERNS_5OBMolEb
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      argCount:        3
      argTypes:
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        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
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        - ''
        - ''
      BBCount:         115
      ICount:          648
      EdgeCount:       130
      CyclomaticComplexity: 17
      functionsReached:
        - _ZN9OpenBabel14OBChainsParser10CleanupMolEv
        - _ZN9OpenBabel14OBChainsParser17DetermineHetAtomsERNS_5OBMolE
        - _ZN9OpenBabel14OBChainsParser18DetermineHydrogensERNS_5OBMolE
        - _ZN9OpenBabel14OBChainsParser21SetResidueInformationERNS_5OBMolEb
        - _ZN9OpenBabel14OBChainsParser23ClearResidueInformationERNS_5OBMolE
        - _ZN9OpenBabel14OBChainsParser24DetermineConnectedChainsERNS_5OBMolE
        - _ZN9OpenBabel14OBChainsParser24DetermineNucleicBackboneERNS_5OBMolE
        - _ZN9OpenBabel14OBChainsParser24DeterminePeptideBackboneERNS_5OBMolE
        - _ZN9OpenBabel14OBChainsParser26DetermineNucleicSidechainsERNS_5OBMolE
        - _ZN9OpenBabel14OBChainsParser26DeterminePeptideSidechainsERNS_5OBMolE
        - _ZN9OpenBabel14OBChainsParser8SetupMolERNS_5OBMolE
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - _ZN9OpenBabel5OBMol18SetChainsPerceivedEb
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/chains.cpp:962,5'
          Dst:             _ZN9OpenBabel14OBChainsParser8SetupMolERNS_5OBMolE
        - Src:             'src/chains.cpp:963,5'
          Dst:             _ZN9OpenBabel14OBChainsParser23ClearResidueInformationERNS_5OBMolE
        - Src:             'src/chains.cpp:965,14'
          Dst:             _ZN9OpenBabel14OBChainsParser17DetermineHetAtomsERNS_5OBMolE
        - Src:             'src/chains.cpp:966,14'
          Dst:             _ZN9OpenBabel14OBChainsParser24DetermineConnectedChainsERNS_5OBMolE
        - Src:             'src/chains.cpp:967,14'
          Dst:             _ZN9OpenBabel14OBChainsParser24DeterminePeptideBackboneERNS_5OBMolE
        - Src:             'src/chains.cpp:968,14'
          Dst:             _ZN9OpenBabel14OBChainsParser26DeterminePeptideSidechainsERNS_5OBMolE
        - Src:             'src/chains.cpp:969,14'
          Dst:             _ZN9OpenBabel14OBChainsParser24DetermineNucleicBackboneERNS_5OBMolE
        - Src:             'src/chains.cpp:970,14'
          Dst:             _ZN9OpenBabel14OBChainsParser26DetermineNucleicSidechainsERNS_5OBMolE
        - Src:             'src/chains.cpp:971,14'
          Dst:             _ZN9OpenBabel14OBChainsParser18DetermineHydrogensERNS_5OBMolE
        - Src:             'src/chains.cpp:980,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/chains.cpp:980,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/chains.cpp:980,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/chains.cpp:981,21'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:984,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/chains.cpp:984,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/chains.cpp:984,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/chains.cpp:984,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/chains.cpp:984,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/chains.cpp:985,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:984,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/chains.cpp:984,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/chains.cpp:1026,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/chains.cpp:1012,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/chains.cpp:1012,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/chains.cpp:1012,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/chains.cpp:1013,21'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:1026,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/chains.cpp:1026,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/chains.cpp:1055,5'
          Dst:             _ZN9OpenBabel14OBChainsParser21SetResidueInformationERNS_5OBMolEb
        - Src:             'src/chains.cpp:1027,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:1029,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/chains.cpp:1040,9'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/chains.cpp:1040,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/chains.cpp:1040,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/chains.cpp:1041,34'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:1056,5'
          Dst:             _ZN9OpenBabel14OBChainsParser10CleanupMolEv
        - Src:             'src/chains.cpp:1058,9'
          Dst:             _ZN9OpenBabel5OBMol18SetChainsPerceivedEb
        - Src:             'src/chains.cpp:1060,16'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
    - functionName:    _ZN9OpenBabel14OBChainsParser8SetupMolERNS_5OBMolE
      functionSourceFile: '/src/openbabel/src/chains.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 798
      functionLinenumberEnd: 820
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         9
      ICount:          91
      EdgeCount:       11
      CyclomaticComplexity: 4
      functionsReached:
        - _ZN9OpenBabel14OBChainsParser10CleanupMolEv
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel5OBMol8NumBondsEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/chains.cpp:799,5'
          Dst:             _ZN9OpenBabel14OBChainsParser10CleanupMolEv
        - Src:             'src/chains.cpp:802,21'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/chains.cpp:803,21'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
    - functionName:    _ZN9OpenBabel14OBChainsParser23ClearResidueInformationERNS_5OBMolE
      functionSourceFile: '/src/openbabel/src/chains.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 840
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      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
      BBCount:         23
      ICount:          98
      EdgeCount:       25
      CyclomaticComplexity: 4
      functionsReached:
        - _ZN9OpenBabel5OBMol11NextResidueERNSt3__111__wrap_iterIPPNS_9OBResidueEEE
        - _ZN9OpenBabel5OBMol12BeginResidueERNSt3__111__wrap_iterIPPNS_9OBResidueEEE
        - _ZN9OpenBabel5OBMol13DeleteResidueEPNS_9OBResidueEb
        - _ZNK9OpenBabel5OBMol11NumResiduesEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/chains.cpp:845,13'
          Dst:             _ZNK9OpenBabel5OBMol11NumResiduesEv
        - Src:             'src/chains.cpp:848,24'
          Dst:             _ZN9OpenBabel5OBMol12BeginResidueERNSt3__111__wrap_iterIPPNS_9OBResidueEEE
        - Src:             'src/chains.cpp:848,66'
          Dst:             _ZN9OpenBabel5OBMol11NextResidueERNSt3__111__wrap_iterIPPNS_9OBResidueEEE
        - Src:             'src/chains.cpp:852,11'
          Dst:             _ZN9OpenBabel5OBMol13DeleteResidueEPNS_9OBResidueEb
    - functionName:    _ZN9OpenBabel14OBChainsParser21SetResidueInformationERNS_5OBMolEb
      functionSourceFile: '/src/openbabel/src/chains.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 858
      functionLinenumberEnd: 951
      functionDepth:   0
      returnType:      void
      argCount:        3
      argTypes:
        - 'N/A'
        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         110
      ICount:          557
      EdgeCount:       211
      CyclomaticComplexity: 103
      functionsReached:
        - _ZN9OpenBabel10OBElements9GetSymbolEj
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel5OBMol10NewResidueEv
        - _ZN9OpenBabel5OBMol13DeleteResidueEPNS_9OBResidueEb
        - _ZN9OpenBabel9OBResidue10SetHetAtomEPNS_6OBAtomEb
        - _ZN9OpenBabel9OBResidue12SetSerialNumEPNS_6OBAtomEj
        - _ZN9OpenBabel9OBResidue6SetNumEj
        - _ZN9OpenBabel9OBResidue7AddAtomEPNS_6OBAtomE
        - _ZN9OpenBabel9OBResidue7SetNameERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel9OBResidue8SetChainEc
        - _ZN9OpenBabel9OBResidue9SetAtomIDEPNS_6OBAtomERKNSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEE
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol10GetResidueEi
        - _ZNK9OpenBabel5OBMol11NumResiduesEv
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel9OBResidue7GetNameEv
        - snprintf
        - toupper
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/chains.cpp:866,33'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/chains.cpp:874,22'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/chains.cpp:876,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/chains.cpp:876,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/chains.cpp:876,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/chains.cpp:876,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/chains.cpp:876,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/chains.cpp:877,30'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/chains.cpp:876,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/chains.cpp:876,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/chains.cpp:947,13'
          Dst:             _ZNK9OpenBabel5OBMol11NumResiduesEv
        - Src:             'src/chains.cpp:884,18'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/chains.cpp:887,46'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/chains.cpp:887,18'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/chains.cpp:890,30'
          Dst:             toupper
        - Src:             'src/chains.cpp:898,24'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/chains.cpp:900,11'
          Dst:             snprintf
        - Src:             'src/chains.cpp:910,11'
          Dst:             snprintf
        - Src:             'src/chains.cpp:913,9'
          Dst:             snprintf
        - Src:             'src/chains.cpp:926,18'
          Dst:             _ZN9OpenBabel9OBResidue7AddAtomEPNS_6OBAtomE
        - Src:             'src/chains.cpp:927,18'
          Dst:             _ZN9OpenBabel9OBResidue9SetAtomIDEPNS_6OBAtomERKNSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEE
        - Src:             'src/chains.cpp:928,18'
          Dst:             _ZN9OpenBabel9OBResidue10SetHetAtomEPNS_6OBAtomEb
        - Src:             'src/chains.cpp:929,18'
          Dst:             _ZN9OpenBabel9OBResidue12SetSerialNumEPNS_6OBAtomEj
        - Src:             'src/chains.cpp:933,23'
          Dst:             _ZN9OpenBabel5OBMol10NewResidueEv
        - Src:             'src/chains.cpp:934,18'
          Dst:             _ZN9OpenBabel9OBResidue7SetNameERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/chains.cpp:935,18'
          Dst:             _ZN9OpenBabel9OBResidue6SetNumEj
        - Src:             'src/chains.cpp:936,18'
          Dst:             _ZN9OpenBabel9OBResidue8SetChainEc
        - Src:             'src/chains.cpp:938,18'
          Dst:             _ZN9OpenBabel9OBResidue7AddAtomEPNS_6OBAtomE
        - Src:             'src/chains.cpp:939,18'
          Dst:             _ZN9OpenBabel9OBResidue9SetAtomIDEPNS_6OBAtomERKNSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEE
        - Src:             'src/chains.cpp:940,18'
          Dst:             _ZN9OpenBabel9OBResidue10SetHetAtomEPNS_6OBAtomEb
        - Src:             'src/chains.cpp:941,18'
          Dst:             _ZN9OpenBabel9OBResidue12SetSerialNumEPNS_6OBAtomEj
        - Src:             'src/chains.cpp:949,18'
          Dst:             _ZNK9OpenBabel5OBMol11NumResiduesEv
        - Src:             'src/chains.cpp:949,45'
          Dst:             _ZNK9OpenBabel5OBMol10GetResidueEi
        - Src:             'src/chains.cpp:949,61'
          Dst:             _ZNK9OpenBabel9OBResidue7GetNameEv
        - Src:             'src/chains.cpp:0,0'
          Dst:             _ZNK9OpenBabel5OBMol10GetResidueEi
        - Src:             'src/chains.cpp:0,0'
          Dst:             _ZN9OpenBabel5OBMol13DeleteResidueEPNS_9OBResidueEb
    - functionName:    _ZN9OpenBabel14OBChainsParser10CleanupMolEv
      functionSourceFile: '/src/openbabel/src/chains.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 825
      functionLinenumberEnd: 836
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         3
      ICount:          31
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    2
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel13OBChargeModel15GetDipoleMomentERNS_5OBMolE
      functionSourceFile: '/src/openbabel/src/chargemodel.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 51
      functionLinenumberEnd: 62
      functionDepth:   0
      returnType:      void
      argCount:        3
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         26
      ICount:          136
      EdgeCount:       47
      CyclomaticComplexity: 23
      functionsReached:
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel7vector3C2ERKS0_
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel7vector3pLERKS0_
        - _ZN9OpenBabelmlERKNS_7vector3ERKd
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/chargemodel.cpp:52,28'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/chargemodel.cpp:55,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/chargemodel.cpp:55,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/chargemodel.cpp:55,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/chargemodel.cpp:56,28'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/chargemodel.cpp:56,45'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/chargemodel.cpp:56,40'
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        - Src:             'src/forcefield.cpp:4530,5'
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          Dst:             cos
        - Src:             'src/forcefield.cpp:4570,27'
          Dst:             cos
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        - Src:             'src/forcefield.cpp:4575,5'
          Dst:             _ZN9OpenBabel12OBForceField11VectorCrossEPdS1_S1_
        - Src:             'src/forcefield.cpp:4577,5'
          Dst:             _ZN9OpenBabel12OBForceField11VectorCrossEPdS1_S1_
        - Src:             'src/forcefield.cpp:4578,17'
          Dst:             _ZN9OpenBabel12OBForceField9VectorDotEPdS1_
        - Src:             'src/forcefield.cpp:4579,17'
          Dst:             _ZN9OpenBabel12OBForceField9VectorDotEPdS1_
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        - Src:             'src/forcefield.cpp:4583,5'
          Dst:             _ZN9OpenBabel12OBForceField14VectorMultiplyEPddS1_
        - Src:             'src/forcefield.cpp:4585,5'
          Dst:             _ZN9OpenBabel12OBForceField14VectorMultiplyEPddS1_
        - Src:             'src/forcefield.cpp:4586,5'
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        - Src:             'src/forcefield.cpp:4587,5'
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        - Src:             'src/forcefield.cpp:4591,5'
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        - _ZN9OpenBabel12OBForceField9VectorDotEPdS1_
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        - Src:             'src/forcefield.cpp:4390,30'
          Dst:             _ZN9OpenBabel12OBForceField12VectorLengthEPd
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          Dst:             _ZN9OpenBabel12OBForceField12VectorDivideEPddS1_
        - Src:             'src/forcefield.cpp:4398,5'
          Dst:             _ZN9OpenBabel12OBForceField14VectorSubtractEPdS1_S1_
        - Src:             'src/forcefield.cpp:4399,30'
          Dst:             _ZN9OpenBabel12OBForceField12VectorLengthEPd
        - Src:             'src/forcefield.cpp:4403,5'
          Dst:             _ZN9OpenBabel12OBForceField12VectorDivideEPddS1_
        - Src:             'src/forcefield.cpp:4405,5'
          Dst:             _ZN9OpenBabel12OBForceField14VectorSubtractEPdS1_S1_
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          Dst:             _ZN9OpenBabel12OBForceField12VectorLengthEPd
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        - Src:             'src/forcefield.cpp:4413,5'
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        - Src:             'src/forcefield.cpp:4414,5'
          Dst:             _ZN9OpenBabel12OBForceField11VectorCrossEPdS1_S1_
        - Src:             'src/forcefield.cpp:4415,5'
          Dst:             _ZN9OpenBabel12OBForceField11VectorCrossEPdS1_S1_
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          Dst:             _ZN9OpenBabel12OBForceField9VectorDotEPdS1_
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        - _ZN9OpenBabel12OBForceField12VectorDivideEPddS1_
        - _ZN9OpenBabel12OBForceField12VectorLengthEPd
        - _ZN9OpenBabel12OBForceField14VectorMultiplyEPddS1_
        - _ZN9OpenBabel12OBForceField14VectorSubtractEPdS1_S1_
        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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          Dst:             _ZN9OpenBabel12OBForceField12VectorLengthEPd
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          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4275,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4276,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
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          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
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          Dst:             _ZN9OpenBabel12OBForceField12VectorDivideEPddS1_
        - Src:             'src/forcefield.cpp:4284,5'
          Dst:             _ZN9OpenBabel12OBForceField14VectorSubtractEPdS1_S1_
        - Src:             'src/forcefield.cpp:4285,30'
          Dst:             _ZN9OpenBabel12OBForceField12VectorLengthEPd
        - Src:             'src/forcefield.cpp:4287,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
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          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4289,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4290,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
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          Dst:             _ZN9OpenBabel12OBForceField12VectorDivideEPddS1_
        - Src:             'src/forcefield.cpp:4295,5'
          Dst:             _ZN9OpenBabel12OBForceField14VectorSubtractEPdS1_S1_
        - Src:             'src/forcefield.cpp:4296,30'
          Dst:             _ZN9OpenBabel12OBForceField12VectorLengthEPd
        - Src:             'src/forcefield.cpp:4298,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4299,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4300,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4301,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4304,5'
          Dst:             _ZN9OpenBabel12OBForceField12VectorDivideEPddS1_
        - Src:             'src/forcefield.cpp:4307,5'
          Dst:             _ZN9OpenBabel12OBForceField11VectorCrossEPdS1_S1_
        - Src:             'src/forcefield.cpp:4308,5'
          Dst:             _ZN9OpenBabel12OBForceField11VectorCrossEPdS1_S1_
        - Src:             'src/forcefield.cpp:4309,5'
          Dst:             _ZN9OpenBabel12OBForceField11VectorCrossEPdS1_S1_
        - Src:             'src/forcefield.cpp:4312,30'
          Dst:             _ZN9OpenBabel12OBForceField9VectorDotEPdS1_
        - Src:             'src/forcefield.cpp:4313,26'
          Dst:             acos
        - Src:             'src/forcefield.cpp:4316,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4317,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4318,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4319,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4323,30'
          Dst:             sin
        - Src:             'src/forcefield.cpp:4324,27'
          Dst:             _ZN9OpenBabel12OBForceField9VectorDotEPdS1_
        - Src:             'src/forcefield.cpp:4327,23'
          Dst:             asin
        - Src:             'src/forcefield.cpp:4331,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4332,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4333,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4334,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4338,27'
          Dst:             cos
        - Src:             'src/forcefield.cpp:4342,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4343,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4344,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4345,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4351,5'
          Dst:             _ZN9OpenBabel12OBForceField12VectorDivideEPddS1_
        - Src:             'src/forcefield.cpp:4352,5'
          Dst:             _ZN9OpenBabel12OBForceField14VectorMultiplyEPddS1_
        - Src:             'src/forcefield.cpp:4353,5'
          Dst:             _ZN9OpenBabel12OBForceField14VectorSubtractEPdS1_S1_
        - Src:             'src/forcefield.cpp:4354,5'
          Dst:             _ZN9OpenBabel12OBForceField12VectorDivideEPddS1_
        - Src:             'src/forcefield.cpp:4356,5'
          Dst:             _ZN9OpenBabel12OBForceField14VectorMultiplyEPddS1_
        - Src:             'src/forcefield.cpp:4357,5'
          Dst:             _ZN9OpenBabel12OBForceField14VectorSubtractEPdS1_S1_
        - Src:             'src/forcefield.cpp:4358,5'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefield.cpp:4359,5'
          Dst:             _ZN9OpenBabel12OBForceField12VectorDivideEPddS1_
        - Src:             'src/forcefield.cpp:4360,5'
          Dst:             _ZN9OpenBabel12OBForceField9VectorAddEPdS1_S1_
        - Src:             'src/forcefield.cpp:4361,5'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefield.cpp:4363,5'
          Dst:             _ZN9OpenBabel12OBForceField14VectorMultiplyEPddS1_
        - Src:             'src/forcefield.cpp:4364,5'
          Dst:             _ZN9OpenBabel12OBForceField14VectorSubtractEPdS1_S1_
        - Src:             'src/forcefield.cpp:4365,5'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefield.cpp:4366,5'
          Dst:             _ZN9OpenBabel12OBForceField12VectorDivideEPddS1_
        - Src:             'src/forcefield.cpp:4367,5'
          Dst:             _ZN9OpenBabel12OBForceField9VectorAddEPdS1_S1_
        - Src:             'src/forcefield.cpp:4368,5'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefield.cpp:4370,5'
          Dst:             _ZN9OpenBabel12OBForceField9VectorAddEPdS1_S1_
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:3898,3'
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             snprintf
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        - Src:             'src/forcefield.cpp:3095,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      BranchProfiles:
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:515,29'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:523,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:523,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:524,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:524,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:526,17'
          Dst:             _ZN9OpenBabel12OBForceField22VectorLengthDerivativeERNS_7vector3ES2_
        - Src:             'src/forcefield.cpp:532,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:532,20'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:532,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:533,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:533,20'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:533,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:539,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:539,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:540,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:540,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:541,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:541,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:543,19'
          Dst:             _ZN9OpenBabel12OBForceField21VectorAngleDerivativeERNS_7vector3ES2_S2_
        - Src:             'src/forcefield.cpp:549,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:549,20'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:549,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:550,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:550,20'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:550,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:551,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:551,20'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:551,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:557,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:557,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:558,14'
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        - Src:             'src/forcefield.cpp:559,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:559,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:560,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:560,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:562,19'
          Dst:             _ZN9OpenBabel12OBForceField23VectorTorsionDerivativeERNS_7vector3ES2_S2_S2_
        - Src:             'src/forcefield.cpp:567,60'
          Dst:             cos
        - Src:             'src/forcefield.cpp:568,36'
          Dst:             sin
        - Src:             'src/forcefield.cpp:570,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:570,20'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:570,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:571,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:571,20'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:571,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:572,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:572,20'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:572,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:573,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:573,20'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:578,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:578,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:578,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:578,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:578,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:578,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:578,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:578,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      functionLinenumber: 2213
      functionLinenumberEnd: 2293
      functionDepth:   0
      returnType:      void
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      argTypes:
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      constantsTouched: []
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      BBCount:         68
      ICount:          289
      EdgeCount:       134
      CyclomaticComplexity: 68
      functionsReached:
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        - _ZN9OpenBabel12OBForceField9HasGroupsEv
        - _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - _ZN9OpenBabel13OBMolPairIterD2Ev
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        - _ZN9OpenBabel8OBBitVec9SetBitOffEj
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        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/forcefield.cpp:2215,15'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/forcefield.cpp:2217,40'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:2219,15'
          Dst:             _ZN9OpenBabel8OBBitVec6ResizeEj
        - Src:             'src/forcefield.cpp:2220,15'
          Dst:             _ZN9OpenBabel8OBBitVec6ResizeEj
        - Src:             'src/forcefield.cpp:2228,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - Src:             'src/forcefield.cpp:2228,5'
          Dst:             _ZNK9OpenBabel13OBMolPairItercvbEv
        - Src:             'src/forcefield.cpp:2228,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefield.cpp:2231,33'
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          Dst:             _ZN9OpenBabel15OBFFConstraints8IsXFixedEi
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          Dst:             _ZN9OpenBabel12OBForceField20Newton2NumLineSearchEPd
        - Src:             'src/forcefield.cpp:2874,25'
          Dst:             _ZN9OpenBabel5OBMol14GetCoordinatesEv
        - Src:             'src/forcefield.cpp:2874,9'
          Dst:             _ZN9OpenBabel12OBForceField10LineSearchEPdS1_
        - Src:             'src/forcefield.cpp:2877,38'
          Dst:             _ZN9OpenBabel15OBFFConstraints19GetConstraintEnergyEv
        - Src:             'src/forcefield.cpp:2880,9'
          Dst:             _ZN9OpenBabel12OBForceField17UpdatePairsSimpleEv
        - Src:             'src/forcefield.cpp:2884,11'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2885,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2892,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2904,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2904,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel12OBForceField26ValidateConjugateGradientsEi
      functionSourceFile: '/src/openbabel/src/forcefield.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 2724
      functionLinenumberEnd: 2787
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         51
      ICount:          310
      EdgeCount:       94
      CyclomaticComplexity: 45
      functionsReached:
        - _ZN9OpenBabel12OBForceField18ValidateLineSearchEPNS_6OBAtomERNS_7vector3E
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel3dotERKNS_7vector3ES2_
        - _ZN9OpenBabel6OBAtom9SetVectorEddd
        - _ZN9OpenBabel6OBAtomC2Ev
        - _ZN9OpenBabel7vector31xEv
        - _ZN9OpenBabel7vector31yEv
        - _ZN9OpenBabel7vector31zEv
        - _ZN9OpenBabel7vector33SetEddd
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel7vector3aSERKS0_
        - _ZN9OpenBabelmlERKdRKNS_7vector3E
        - _ZN9OpenBabelplERKNS_7vector3ES2_
        - _ZNK9OpenBabel6OBAtom1xEv
        - _ZNK9OpenBabel6OBAtom1yEv
        - _ZNK9OpenBabel6OBAtom1zEv
        - snprintf
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefield.cpp:2725,24'
          Dst:             _ZN9OpenBabel6OBAtomC2Ev
        - Src:             'src/forcefield.cpp:2726,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2726,20'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2726,27'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2726,33'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2732,11'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
        - Src:             'src/forcefield.cpp:2733,18'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2733,30'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2733,47'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2733,59'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2736,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2737,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2738,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2739,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2740,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2745,28'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2745,42'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2745,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefield.cpp:2746,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2747,16'
          Dst:             _ZN9OpenBabel12OBForceField18ValidateLineSearchEPNS_6OBAtomERNS_7vector3E
        - Src:             'src/forcefield.cpp:2747,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2747,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2748,31'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2748,42'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:2748,53'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2748,64'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:2748,75'
          Dst:             _ZNK9OpenBabel6OBAtom1zEv
        - Src:             'src/forcefield.cpp:2748,86'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefield.cpp:2748,15'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
        - Src:             'src/forcefield.cpp:2749,22'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2749,34'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2749,51'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2749,63'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2752,11'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2753,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2757,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2760,28'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2760,42'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2760,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefield.cpp:2761,16'
          Dst:             _ZN9OpenBabel3dotERKNS_7vector3ES2_
        - Src:             'src/forcefield.cpp:2762,16'
          Dst:             _ZN9OpenBabel3dotERKNS_7vector3ES2_
        - Src:             'src/forcefield.cpp:2764,29'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:2764,22'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/forcefield.cpp:2764,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2764,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2764,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2765,16'
          Dst:             _ZN9OpenBabel12OBForceField18ValidateLineSearchEPNS_6OBAtomERNS_7vector3E
        - Src:             'src/forcefield.cpp:2765,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2765,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2766,31'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2766,42'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:2766,53'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2766,64'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:2766,75'
          Dst:             _ZNK9OpenBabel6OBAtom1zEv
        - Src:             'src/forcefield.cpp:2766,86'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefield.cpp:2766,15'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
        - Src:             'src/forcefield.cpp:2767,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2768,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2769,22'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2769,34'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2769,51'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2769,63'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2772,11'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2773,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2764,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2778,13'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2787,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2787,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2787,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2787,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2787,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2787,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2787,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2787,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel12OBForceField18ValidateLineSearchEPNS_6OBAtomERNS_7vector3E
      functionSourceFile: '/src/openbabel/src/forcefield.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 2634
      functionLinenumberEnd: 2671
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         37
      ICount:          192
      EdgeCount:       67
      CyclomaticComplexity: 32
      functionsReached:
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - _ZN9OpenBabel7vector39normalizeEv
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel7vector3aSERKS0_
        - _ZN9OpenBabelmiERKNS_7vector3ES2_
        - _ZN9OpenBabelmlERKNS_7vector3ERKd
        - _ZN9OpenBabelplERKNS_7vector3ES2_
        - _ZNK9OpenBabel6OBAtom1xEv
        - _ZNK9OpenBabel6OBAtom1yEv
      functionUses:    3
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefield.cpp:2636,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2636,22'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2636,32'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2636,39'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2639,15'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/forcefield.cpp:2640,22'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:2640,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2642,18'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2642,30'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2642,47'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2642,59'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2645,23'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:2645,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2647,21'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:2647,44'
          Dst:             _ZN9OpenBabelmlERKNS_7vector3ERKd
        - Src:             'src/forcefield.cpp:2647,33'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/forcefield.cpp:2647,13'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2647,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2647,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2648,13'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/forcefield.cpp:2650,20'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2650,32'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2650,49'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2650,61'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2647,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2657,15'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/forcefield.cpp:2668,17'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:2668,29'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/forcefield.cpp:2668,9'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2668,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2669,11'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/forcefield.cpp:2671,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2671,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2671,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2671,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2671,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2671,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2671,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel12OBForceField23ValidateSteepestDescentEi
      functionSourceFile: '/src/openbabel/src/forcefield.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 2681
      functionLinenumberEnd: 2721
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         40
      ICount:          195
      EdgeCount:       75
      CyclomaticComplexity: 37
      functionsReached:
        - _ZN9OpenBabel12OBForceField18ValidateLineSearchEPNS_6OBAtomERNS_7vector3E
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel6OBAtom9SetVectorEddd
        - _ZN9OpenBabel6OBAtomC2Ev
        - _ZN9OpenBabel7vector31xEv
        - _ZN9OpenBabel7vector31yEv
        - _ZN9OpenBabel7vector33SetEddd
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel7vector3aSERKS0_
        - _ZNK9OpenBabel6OBAtom1xEv
        - _ZNK9OpenBabel6OBAtom1yEv
        - snprintf
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefield.cpp:2682,24'
          Dst:             _ZN9OpenBabel6OBAtomC2Ev
        - Src:             'src/forcefield.cpp:2683,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2686,11'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
        - Src:             'src/forcefield.cpp:2687,18'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2687,30'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2687,47'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2687,59'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2690,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2691,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2692,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2693,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2694,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2698,25'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2698,39'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2698,12'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefield.cpp:2699,14'
          Dst:             _ZN9OpenBabel12OBForceField18ValidateLineSearchEPNS_6OBAtomERNS_7vector3E
        - Src:             'src/forcefield.cpp:2699,12'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2699,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2700,29'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2700,40'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:2700,51'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2700,62'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:2700,13'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
        - Src:             'src/forcefield.cpp:2701,20'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2701,32'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2701,49'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2701,61'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2704,9'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2705,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2710,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2718,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2721,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2721,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel12OBForceField15DetectExplosionEv
      functionSourceFile: '/src/openbabel/src/forcefield.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 2615
      functionLinenumberEnd: 2631
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
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        - Src:             'src/forcefield.cpp:1955,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefield.cpp:1955,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefield.cpp:1950,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefield.cpp:1950,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefield.cpp:1990,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1992,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1994,11'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1995,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1997,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1999,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2009,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefield.cpp:2009,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefield.cpp:2009,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefield.cpp:2010,17'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:2011,9'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefield.cpp:2011,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefield.cpp:2011,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefield.cpp:2014,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:2015,11'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefield.cpp:2015,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefield.cpp:2015,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefield.cpp:2018,21'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:2072,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2074,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2076,11'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2077,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2079,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2081,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2085,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefield.cpp:2085,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefield.cpp:2085,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefield.cpp:2086,14'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:2087,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefield.cpp:2087,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefield.cpp:2087,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefield.cpp:2088,16'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:2095,41'
          Dst:             time
        - Src:             'src/forcefield.cpp:2095,9'
          Dst:             srand
        - Src:             'src/forcefield.cpp:2100,44'
          Dst:             rand
        - Src:             'src/forcefield.cpp:2106,44'
          Dst:             rand
        - Src:             'src/forcefield.cpp:2115,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2117,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2119,11'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2120,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2122,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2124,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2137,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2139,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2141,11'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2142,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2144,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2146,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2157,5'
          Dst:             _ZN9OpenBabel9matrix3x36jacobiEjPdS1_S1_
        - Src:             'src/forcefield.cpp:2162,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2164,9'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2165,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2167,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2169,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2171,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2173,11'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2174,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2176,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2178,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2183,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefield.cpp:2183,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefield.cpp:2183,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefield.cpp:2184,14'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:2187,14'
          Dst:             sqrt
        - Src:             'src/forcefield.cpp:2189,15'
          Dst:             sqrt
        - Src:             'src/forcefield.cpp:2192,14'
          Dst:             sqrt
        - Src:             'src/forcefield.cpp:2194,15'
          Dst:             sqrt
        - Src:             'src/forcefield.cpp:2197,14'
          Dst:             sqrt
        - Src:             'src/forcefield.cpp:2199,15'
          Dst:             sqrt
        - Src:             'src/forcefield.cpp:2201,10'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
    - functionName:    _ZN9OpenBabel12OBForceField19WeightedRotorSearchEjjb
      functionSourceFile: '/src/openbabel/src/forcefield.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1649
      functionLinenumberEnd: 1889
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
        - 'N/A'
        - int
        - int
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         221
      ICount:          1071
      EdgeCount:       424
      CyclomaticComplexity: 205
      functionsReached:
        - _ZN9OpenBabel10OBRandomMTC2Ev
        - _ZN9OpenBabel10OBRandomMTD2Ev
        - _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - _ZN9OpenBabel11OBRotorList11SetFixAtomsERNS_8OBBitVecE
        - _ZN9OpenBabel11OBRotorList4SizeEv
        - _ZN9OpenBabel11OBRotorList5SetupERNS_5OBMolEb
        - _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - _ZN9OpenBabel11OBRotorListC2Ev
        - _ZN9OpenBabel11OBRotorListD2Ev
        - _ZN9OpenBabel12OBForceField5LBFGSEidi
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel13OBRotamerList21SetBaseCoordinateSetsERNS_5OBMolE
        - _ZN9OpenBabel13OBRotamerList21SetCurrentCoordinatesERNS_5OBMolENSt3__16vectorIiNS3_9allocatorIiEEEE
        - _ZN9OpenBabel13OBRotamerList5SetupERNS_5OBMolERNS_11OBRotorListE
        - _ZN9OpenBabel13OBRotamerListC2Ev
        - _ZN9OpenBabel13OBRotamerListD2Ev
        - _ZN9OpenBabel15OBFFConstraints14GetFixedBitVecEv
        - _ZN9OpenBabel5OBMol12AddConformerEPd
        - _ZN9OpenBabel5OBMol12SetConformerEj
        - _ZN9OpenBabel5OBMol13SetConformersERNSt3__16vectorIPdNS1_9allocatorIS3_EEEE
        - _ZN9OpenBabel5OBMol14GetCoordinatesEv
        - _ZN9OpenBabel5OBMol14SetCoordinatesEPd
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZN9OpenBabel8ReweightERNSt3__16vectorINS1_IdNS0_9allocatorIdEEEENS2_IS4_EEEENS1_IiNS2_IiEEEEd
        - _ZNK9OpenBabel10OBRandomMT11UniformRealIdEET_S2_S2_
        - _ZNK9OpenBabel10OBRandomMT9BernoulliEd
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - exp
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefield.cpp:1653,17'
          Dst:             _ZN9OpenBabel11OBRotorListC2Ev
        - Src:             'src/forcefield.cpp:1654,19'
          Dst:             _ZN9OpenBabel13OBRotamerListC2Ev
        - Src:             'src/forcefield.cpp:1662,16'
          Dst:             _ZN9OpenBabel10OBRandomMTC2Ev
        - Src:             'src/forcefield.cpp:1666,14'
          Dst:             _ZN9OpenBabel5OBMol14GetCoordinatesEv
        - Src:             'src/forcefield.cpp:1669,45'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1670,48'
          Dst:             _ZN9OpenBabel5OBMol14GetCoordinatesEv
        - Src:             'src/forcefield.cpp:1670,87'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1672,10'
          Dst:             _ZN9OpenBabel5OBMol13SetConformersERNSt3__16vectorIPdNS1_9allocatorIS3_EEEE
        - Src:             'src/forcefield.cpp:1674,10'
          Dst:             _ZN9OpenBabel5OBMol12SetConformerEj
        - Src:             'src/forcefield.cpp:1677,35'
          Dst:             _ZN9OpenBabel15OBFFConstraints14GetFixedBitVecEv
        - Src:             'src/forcefield.cpp:1678,8'
          Dst:             _ZN9OpenBabel11OBRotorList11SetFixAtomsERNS_8OBBitVecE
        - Src:             'src/forcefield.cpp:1679,8'
          Dst:             _ZN9OpenBabel11OBRotorList5SetupERNS_5OBMolEb
        - Src:             'src/forcefield.cpp:1680,14'
          Dst:             _ZN9OpenBabel13OBRotamerList21SetBaseCoordinateSetsERNS_5OBMolE
        - Src:             'src/forcefield.cpp:1681,14'
          Dst:             _ZN9OpenBabel13OBRotamerList5SetupERNS_5OBMolERNS_11OBRotorListE
        - Src:             'src/forcefield.cpp:1684,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1685,92'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1685,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1686,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1689,23'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1691,32'
          Dst:             _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - Src:             'src/forcefield.cpp:1690,23'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1693,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1694,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1700,13'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1702,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1705,7'
          Dst:             _ZN9OpenBabel12OBForceField5LBFGSEidi
        - Src:             'src/forcefield.cpp:1715,34'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1729,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1731,16'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1732,37'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1736,16'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1738,37'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1732,65'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1732,37'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1741,43'
          Dst:             _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - Src:             'src/forcefield.cpp:1768,43'
          Dst:             _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - Src:             'src/forcefield.cpp:1743,14'
          Dst:             _ZN9OpenBabel5OBMol14SetCoordinatesEPd
        - Src:             'src/forcefield.cpp:1745,18'
          Dst:             _ZN9OpenBabel13OBRotamerList21SetCurrentCoordinatesERNS_5OBMolENSt3__16vectorIiNS3_9allocatorIiEEEE
        - Src:             'src/forcefield.cpp:1749,9'
          Dst:             _ZN9OpenBabel12OBForceField5LBFGSEidi
        - Src:             'src/forcefield.cpp:1741,43'
          Dst:             _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - Src:             'src/forcefield.cpp:1775,43'
          Dst:             _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - Src:             'src/forcefield.cpp:1777,31'
          Dst:             _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - Src:             'src/forcefield.cpp:1775,43'
          Dst:             _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - Src:             'src/forcefield.cpp:1771,23'
          Dst:             exp
        - Src:             'src/forcefield.cpp:1768,43'
          Dst:             _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - Src:             'src/forcefield.cpp:1775,43'
          Dst:             _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - Src:             'src/forcefield.cpp:1738,65'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1738,37'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1795,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1796,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1797,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1798,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1801,47'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1804,12'
          Dst:             _ZN9OpenBabel5OBMol14SetCoordinatesEPd
        - Src:             'src/forcefield.cpp:1807,18'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1808,39'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1811,23'
          Dst:             _ZNK9OpenBabel10OBRandomMT9BernoulliEd
        - Src:             'src/forcefield.cpp:1814,31'
          Dst:             _ZNK9OpenBabel10OBRandomMT11UniformRealIdEET_S2_S2_
        - Src:             'src/forcefield.cpp:1816,45'
          Dst:             _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - Src:             'src/forcefield.cpp:1816,45'
          Dst:             _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - Src:             'src/forcefield.cpp:1808,67'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1808,39'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1827,16'
          Dst:             _ZN9OpenBabel13OBRotamerList21SetCurrentCoordinatesERNS_5OBMolENSt3__16vectorIiNS3_9allocatorIiEEEE
        - Src:             'src/forcefield.cpp:1833,7'
          Dst:             _ZN9OpenBabel12OBForceField5LBFGSEidi
        - Src:             'src/forcefield.cpp:1837,44'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1838,43'
          Dst:             _ZN9OpenBabel5OBMol14GetCoordinatesEv
        - Src:             'src/forcefield.cpp:1838,82'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1839,12'
          Dst:             _ZN9OpenBabel5OBMol12AddConformerEPd
        - Src:             'src/forcefield.cpp:1842,9'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1843,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1854,9'
          Dst:             _ZN9OpenBabel8ReweightERNSt3__16vectorINS1_IdNS0_9allocatorIdEEEENS2_IS4_EEEENS1_IiNS2_IiEEEEd
        - Src:             'src/forcefield.cpp:1859,9'
          Dst:             _ZN9OpenBabel8ReweightERNSt3__16vectorINS1_IdNS0_9allocatorIdEEEENS2_IS4_EEEENS1_IiNS2_IiEEEEd
        - Src:             'src/forcefield.cpp:1862,9'
          Dst:             _ZN9OpenBabel8ReweightERNSt3__16vectorINS1_IdNS0_9allocatorIdEEEENS2_IS4_EEEENS1_IiNS2_IiEEEEd
        - Src:             'src/forcefield.cpp:1867,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1869,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1874,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1876,9'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1877,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1882,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1879,11'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1880,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel15OBFFConstraints14GetFixedBitVecEv
        - Src:             'src/forcefield.cpp:1345,8'
          Dst:             _ZN9OpenBabel11OBRotorList11SetFixAtomsERNS_8OBBitVecE
        - Src:             'src/forcefield.cpp:1346,8'
          Dst:             _ZN9OpenBabel11OBRotorList8SetQuietEv
        - Src:             'src/forcefield.cpp:1347,8'
          Dst:             _ZN9OpenBabel11OBRotorList5SetupERNS_5OBMolEb
        - Src:             'src/forcefield.cpp:1350,19'
          Dst:             _ZN9OpenBabel13OBRotamerListC2Ev
        - Src:             'src/forcefield.cpp:1351,17'
          Dst:             _ZN9OpenBabel13OBRotamerList21SetBaseCoordinateSetsERNS_5OBMolE
        - Src:             'src/forcefield.cpp:1352,17'
          Dst:             _ZN9OpenBabel13OBRotamerList5SetupERNS_5OBMolERNS_11OBRotorListE
        - Src:             'src/forcefield.cpp:1356,39'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1362,45'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1363,41'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1364,40'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1365,40'
          Dst:             _ZN9OpenBabel5OBMol14GetCoordinatesEv
        - Src:             'src/forcefield.cpp:1365,79'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1369,17'
          Dst:             _ZN9OpenBabel13OBRotamerList21SetCurrentCoordinatesERNS_5OBMolENSt3__16vectorIiNS3_9allocatorIiEEEE
        - Src:             'src/forcefield.cpp:1377,21'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1377,55'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1458,10'
          Dst:             _ZN9OpenBabel5OBMol14SetCoordinatesEPd
        - Src:             'src/forcefield.cpp:1407,12'
          Dst:             _ZN9OpenBabel5OBMol14SetCoordinatesEPd
        - Src:             'src/forcefield.cpp:1416,32'
          Dst:             _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - Src:             'src/forcefield.cpp:1420,16'
          Dst:             _ZN9OpenBabel5OBMol14SetCoordinatesEPd
        - Src:             'src/forcefield.cpp:1422,23'
          Dst:             _ZN9OpenBabel13OBRotamerList21SetCurrentCoordinatesERNS_5OBMolENSt3__16vectorIiNS3_9allocatorIiEEEE
        - Src:             'src/forcefield.cpp:1430,47'
          Dst:             _ZN9OpenBabel5OBMol14GetCoordinatesEv
        - Src:             'src/forcefield.cpp:1430,86'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1416,32'
          Dst:             _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - Src:             'src/forcefield.cpp:1447,69'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1452,78'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1467,3'
          Dst:             _ZN9OpenBabel13OBRotamerListD2Ev
        - Src:             'src/forcefield.cpp:1467,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/forcefield.cpp:1467,3'
          Dst:             _ZN9OpenBabel11OBRotorListD2Ev
        - Src:             'src/forcefield.cpp:1467,3'
          Dst:             _ZN9OpenBabel13OBRotamerListD2Ev
        - Src:             'src/forcefield.cpp:1467,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/forcefield.cpp:1467,3'
          Dst:             _ZN9OpenBabel11OBRotorListD2Ev
    - functionName:    _ZN9OpenBabel12OBForceField21SystematicRotorSearchEjb
      functionSourceFile: '/src/openbabel/src/forcefield.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1321
      functionLinenumberEnd: 1324
      functionDepth:   0
      returnType:      void
      argCount:        3
      argTypes:
        - 'N/A'
        - int
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         9
      ICount:          30
      EdgeCount:       11
      CyclomaticComplexity: 4
      functionsReached:
        - _ZN9OpenBabel12OBForceField31SystematicRotorSearchInitializeEjb
        - _ZN9OpenBabel12OBForceField34SystematicRotorSearchNextConformerEj
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefield.cpp:1322,9'
          Dst:             _ZN9OpenBabel12OBForceField31SystematicRotorSearchInitializeEjb
        - Src:             'src/forcefield.cpp:1323,14'
          Dst:             _ZN9OpenBabel12OBForceField34SystematicRotorSearchNextConformerEj
    - functionName:    _ZN9OpenBabel12OBForceField31SystematicRotorSearchInitializeEjb
      functionSourceFile: '/src/openbabel/src/forcefield.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1212
      functionLinenumberEnd: 1275
      functionDepth:   0
      returnType:      int
      argCount:        3
      argTypes:
        - 'N/A'
        - int
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         76
      ICount:          315
      EdgeCount:       138
      CyclomaticComplexity: 64
      functionsReached:
        - _ZN9OpenBabel11OBRotorKeys4NextEv
        - _ZN9OpenBabel11OBRotorKeys6GetKeyEv
        - _ZN9OpenBabel11OBRotorKeys8AddRotorEj
        - _ZN9OpenBabel11OBRotorKeysC2Ev
        - _ZN9OpenBabel11OBRotorKeysD2Ev
        - _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - _ZN9OpenBabel11OBRotorList11SetFixAtomsERNS_8OBBitVecE
        - _ZN9OpenBabel11OBRotorList4SizeEv
        - _ZN9OpenBabel11OBRotorList5SetupERNS_5OBMolEb
        - _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - _ZN9OpenBabel11OBRotorListC2Ev
        - _ZN9OpenBabel11OBRotorListD2Ev
        - _ZN9OpenBabel12OBForceField5LBFGSEidi
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel13OBRotamerList10AddRotamerENSt3__16vectorIiNS1_9allocatorIiEEEE
        - _ZN9OpenBabel13OBRotamerList19ExpandConformerListERNS_5OBMolERNSt3__16vectorIPdNS3_9allocatorIS5_EEEE
        - _ZN9OpenBabel13OBRotamerList21SetBaseCoordinateSetsERNS_5OBMolE
        - _ZN9OpenBabel13OBRotamerList5SetupERNS_5OBMolERNS_11OBRotorListE
        - _ZN9OpenBabel13OBRotamerListC2Ev
        - _ZN9OpenBabel13OBRotamerListD2Ev
        - _ZN9OpenBabel15OBFFConstraints14GetFixedBitVecEv
        - _ZN9OpenBabel5OBMol13GetConformersEv
        - _ZN9OpenBabel5OBMol13NumConformersEv
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - snprintf
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefield.cpp:1216,17'
          Dst:             _ZN9OpenBabel11OBRotorListC2Ev
        - Src:             'src/forcefield.cpp:1217,19'
          Dst:             _ZN9OpenBabel13OBRotamerListC2Ev
        - Src:             'src/forcefield.cpp:1223,35'
          Dst:             _ZN9OpenBabel15OBFFConstraints14GetFixedBitVecEv
        - Src:             'src/forcefield.cpp:1224,8'
          Dst:             _ZN9OpenBabel11OBRotorList11SetFixAtomsERNS_8OBBitVecE
        - Src:             'src/forcefield.cpp:1225,8'
          Dst:             _ZN9OpenBabel11OBRotorList5SetupERNS_5OBMolEb
        - Src:             'src/forcefield.cpp:1226,14'
          Dst:             _ZN9OpenBabel13OBRotamerList21SetBaseCoordinateSetsERNS_5OBMolE
        - Src:             'src/forcefield.cpp:1227,14'
          Dst:             _ZN9OpenBabel13OBRotamerList5SetupERNS_5OBMolERNS_11OBRotorListE
        - Src:             'src/forcefield.cpp:1230,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1231,92'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1231,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1232,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1235,23'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1237,32'
          Dst:             _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - Src:             'src/forcefield.cpp:1236,23'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1239,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1240,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1245,13'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1247,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1249,7'
          Dst:             _ZN9OpenBabel12OBForceField5LBFGSEidi
        - Src:             'src/forcefield.cpp:1254,17'
          Dst:             _ZN9OpenBabel11OBRotorKeysC2Ev
        - Src:             'src/forcefield.cpp:1255,16'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1256,37'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1259,35'
          Dst:             _ZN9OpenBabel11OBRotorKeys6GetKeyEv
        - Src:             'src/forcefield.cpp:1257,33'
          Dst:             _ZNK9OpenBabel7OBRotor16GetTorsionValuesEv
        - Src:             'src/forcefield.cpp:1257,17'
          Dst:             _ZN9OpenBabel11OBRotorKeys8AddRotorEj
        - Src:             'src/forcefield.cpp:1256,65'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1256,37'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1259,14'
          Dst:             _ZN9OpenBabel13OBRotamerList10AddRotamerENSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/forcefield.cpp:1260,22'
          Dst:             _ZN9OpenBabel11OBRotorKeys4NextEv
        - Src:             'src/forcefield.cpp:1261,37'
          Dst:             _ZN9OpenBabel11OBRotorKeys6GetKeyEv
        - Src:             'src/forcefield.cpp:1261,16'
          Dst:             _ZN9OpenBabel13OBRotamerList10AddRotamerENSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/forcefield.cpp:1260,22'
          Dst:             _ZN9OpenBabel11OBRotorKeys4NextEv
        - Src:             'src/forcefield.cpp:1261,37'
          Dst:             _ZN9OpenBabel11OBRotorKeys6GetKeyEv
        - Src:             'src/forcefield.cpp:1261,16'
          Dst:             _ZN9OpenBabel13OBRotamerList10AddRotamerENSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/forcefield.cpp:1263,45'
          Dst:             _ZN9OpenBabel5OBMol13GetConformersEv
        - Src:             'src/forcefield.cpp:1263,14'
          Dst:             _ZN9OpenBabel13OBRotamerList19ExpandConformerListERNS_5OBMolERNSt3__16vectorIPdNS3_9allocatorIS5_EEEE
        - Src:             'src/forcefield.cpp:1266,74'
          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
        - Src:             'src/forcefield.cpp:1266,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1267,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1268,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1269,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1274,17'
          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
        - Src:             'src/forcefield.cpp:1275,3'
          Dst:             _ZN9OpenBabel11OBRotorKeysD2Ev
        - Src:             'src/forcefield.cpp:1275,3'
          Dst:             _ZN9OpenBabel11OBRotorKeysD2Ev
        - Src:             'src/forcefield.cpp:1275,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/forcefield.cpp:1275,3'
          Dst:             _ZN9OpenBabel13OBRotamerListD2Ev
        - Src:             'src/forcefield.cpp:1275,3'
          Dst:             _ZN9OpenBabel11OBRotorListD2Ev
        - Src:             'src/forcefield.cpp:1275,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/forcefield.cpp:1275,3'
          Dst:             _ZN9OpenBabel13OBRotamerListD2Ev
        - Src:             'src/forcefield.cpp:1275,3'
          Dst:             _ZN9OpenBabel11OBRotorListD2Ev
    - functionName:    _ZN9OpenBabel12OBForceField34SystematicRotorSearchNextConformerEj
      functionSourceFile: '/src/openbabel/src/forcefield.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1278
      functionLinenumberEnd: 1318
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         24
      ICount:          147
      EdgeCount:       31
      CyclomaticComplexity: 9
      functionsReached:
        - _ZN9OpenBabel12OBForceField5LBFGSEidi
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel5OBMol12SetConformerEj
        - _ZN9OpenBabel5OBMol13NumConformersEv
        - snprintf
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefield.cpp:1282,37'
          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
        - Src:             'src/forcefield.cpp:1285,32'
          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
        - Src:             'src/forcefield.cpp:1285,32'
          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
        - Src:             'src/forcefield.cpp:1291,9'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1292,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1295,12'
          Dst:             _ZN9OpenBabel5OBMol12SetConformerEj
        - Src:             'src/forcefield.cpp:1302,10'
          Dst:             _ZN9OpenBabel5OBMol12SetConformerEj
        - Src:             'src/forcefield.cpp:1306,5'
          Dst:             _ZN9OpenBabel12OBForceField5LBFGSEidi
        - Src:             'src/forcefield.cpp:1312,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1313,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel11OBRotorKeysC2Ev
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
      functionLinenumber: 761
      functionLinenumberEnd: 763
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         3
      ICount:          13
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    1
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel11OBRotorKeys6GetKeyEv
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
      functionLinenumber: 811
      functionLinenumberEnd: 820
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         14
      ICount:          64
      EdgeCount:       27
      CyclomaticComplexity: 15
      functionsReached:
        - _ZN9OpenBabel11rotor_digit9get_stateEv
      functionUses:    3
      BranchProfiles:  []
      Callsites:
        - Src:             'include/openbabel/rotor.h:816,31'
          Dst:             _ZN9OpenBabel11rotor_digit9get_stateEv
    - functionName:    _ZN9OpenBabel11OBRotorKeys8AddRotorEj
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
      functionLinenumber: 784
      functionLinenumberEnd: 787
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
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        - int
      constantsTouched: []
      argNames:
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        - ''
      BBCount:         3
      ICount:          16
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
        - _ZN9OpenBabel11rotor_digitC2Ej
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'include/openbabel/rotor.h:785,21'
          Dst:             _ZN9OpenBabel11rotor_digitC2Ej
    - functionName:    _ZN9OpenBabel11OBRotorKeys4NextEv
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
      functionLinenumber: 792
      functionLinenumberEnd: 806
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
        - ''
      BBCount:         13
      ICount:          50
      EdgeCount:       17
      CyclomaticComplexity: 6
      functionsReached:
        - _ZN9OpenBabel11rotor_digit4nextEv
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'include/openbabel/rotor.h:796,29'
          Dst:             _ZN9OpenBabel11rotor_digit4nextEv
        - Src:             'include/openbabel/rotor.h:802,26'
          Dst:             _ZN9OpenBabel11rotor_digit4nextEv
    - functionName:    _ZN9OpenBabel11OBRotorKeysD2Ev
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
      functionLinenumber: 711
      functionLinenumberEnd: 711
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         3
      ICount:          12
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    2
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
      functionSourceFile: '/src/openbabel/src/forcefield.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1180
      functionLinenumberEnd: 1203
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         12
      ICount:          114
      EdgeCount:       15
      CyclomaticComplexity: 5
      functionsReached:
        - _ZN9OpenBabel7vector31xEv
        - _ZN9OpenBabel7vector31yEv
        - _ZN9OpenBabel7vector31zEv
        - _ZN9OpenBabel7vector3C2Eddd
      functionUses:    28
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefield.cpp:1183,22'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:1184,22'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:1184,41'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:1184,55'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:1186,28'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:1186,42'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:1186,57'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:1188,22'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:1189,22'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:1189,41'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:1189,55'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:1191,28'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:1191,42'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:1191,57'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:1193,22'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefield.cpp:1194,22'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefield.cpp:1194,41'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefield.cpp:1194,55'
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        - Src:             'src/forcefield.cpp:930,20'
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
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          Dst:             _ZN9OpenBabel10OBUnitCell24WrapFractionalCoordinateENS_7vector3E
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/generic.cpp:631,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:632,55'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/generic.cpp:632,77'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/generic.cpp:632,88'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/generic.cpp:632,99'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/generic.cpp:632,7'
          Dst:             snprintf
        - Src:             'src/generic.cpp:630,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:640,12'
          Dst:             _ZN9OpenBabel5OBMol10DeleteAtomEPNS_6OBAtomEb
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          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/generic.cpp:646,17'
          Dst:             _ZN9OpenBabel10OBUnitCell21CartesianToFractionalENS_7vector3E
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
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          Dst:             _ZN9OpenBabel10OBUnitCell24WrapFractionalCoordinateENS_7vector3E
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:647,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:649,32'
          Dst:             _ZNK9OpenBabel10SpaceGroup9TransformERKNS_7vector3E
        - Src:             'src/generic.cpp:652,54'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/generic.cpp:652,29'
          Dst:             _ZN9OpenBabel10OBUnitCell24WrapFractionalCoordinateENS_7vector3E
        - Src:             'src/generic.cpp:652,27'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/generic.cpp:652,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:652,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:655,64'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/generic.cpp:656,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/generic.cpp:656,59'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/generic.cpp:655,9'
          Dst:             snprintf
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          Dst:             _ZN9OpenBabel5OBMol7NewAtomEv
        - Src:             'src/generic.cpp:659,20'
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          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
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          Dst:             _ZN9OpenBabel10OBUnitCell21FractionalToCartesianENS_7vector3E
        - Src:             'src/generic.cpp:660,20'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/generic.cpp:660,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:660,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:646,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:660,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:660,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:664,5'
          Dst:             _ZN9OpenBabel10OBUnitCell13SetSpaceGroupEi
        - Src:             'src/generic.cpp:665,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:665,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:665,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:665,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:665,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:665,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      EdgeCount:       27
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          Dst:             _ZN9OpenBabel7vector31xEv
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          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/generic.cpp:595,10'
          Dst:             _ZN9OpenBabel7vector34SetXEd
        - Src:             'src/generic.cpp:596,12'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/generic.cpp:597,18'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/generic.cpp:597,10'
          Dst:             _ZN9OpenBabel7vector34SetXEd
        - Src:             'src/generic.cpp:598,12'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/generic.cpp:599,18'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/generic.cpp:599,10'
          Dst:             _ZN9OpenBabel7vector34SetYEd
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          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/generic.cpp:601,18'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/generic.cpp:601,10'
          Dst:             _ZN9OpenBabel7vector34SetYEd
        - Src:             'src/generic.cpp:602,12'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/generic.cpp:603,18'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/generic.cpp:603,10'
          Dst:             _ZN9OpenBabel7vector34SetZEd
        - Src:             'src/generic.cpp:604,12'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/generic.cpp:605,18'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/generic.cpp:605,10'
          Dst:             _ZN9OpenBabel7vector34SetZEd
        - Src:             'src/generic.cpp:607,16'
          Dst:             _ZNK9OpenBabel7vector38length_2Ev
        - Src:             'src/generic.cpp:608,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      functionsReached:
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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        - _ZNK9OpenBabel9matrix3x36GetRowEj
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        - Src:             'src/generic.cpp:318,28'
          Dst:             _ZNK9OpenBabel9matrix3x36GetRowEj
        - Src:             'src/generic.cpp:318,41'
          Dst:             _ZNK9OpenBabel9matrix3x36GetRowEj
        - Src:             'src/generic.cpp:318,5'
          Dst:             _ZN9OpenBabel10OBUnitCell7SetDataENS_7vector3ES1_S1_
        - Src:             'src/generic.cpp:318,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:318,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:318,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:318,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:318,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:318,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel9matrix3x3C2ENS_7vector3ES1_S1_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:302,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:303,22'
          Dst:             _ZN9OpenBabel11vectorAngleERKNS_7vector3ES2_
        - Src:             'src/generic.cpp:304,22'
          Dst:             _ZN9OpenBabel11vectorAngleERKNS_7vector3ES2_
        - Src:             'src/generic.cpp:305,22'
          Dst:             _ZN9OpenBabel11vectorAngleERKNS_7vector3ES2_
        - Src:             'src/generic.cpp:306,25'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/generic.cpp:307,25'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/generic.cpp:308,25'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/generic.cpp:303,13'
          Dst:             _ZN9OpenBabel9matrix3x38FillOrthEdddddd
        - Src:             'src/generic.cpp:309,18'
          Dst:             _ZNK9OpenBabel9matrix3x39transposeEv
        - Src:             'src/generic.cpp:309,40'
          Dst:             _ZNK9OpenBabel9matrix3x37inverseEv
        - Src:             'src/generic.cpp:309,30'
          Dst:             _ZN9OpenBabelmlERKNS_9matrix3x3ES2_
        - Src:             'src/generic.cpp:309,5'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/generic.cpp:309,5'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/generic.cpp:309,5'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/generic.cpp:313,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/generic.cpp:302,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:302,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:302,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:309,5'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/generic.cpp:309,5'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/generic.cpp:313,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
    - functionName:    _ZN9OpenBabel10OBUnitCell7SetDataEdddddd
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      linkageType:     InternalLinkage
      functionLinenumber: 291
      functionLinenumberEnd: 297
      functionDepth:   0
      returnType:      void
      argCount:        7
      argTypes:
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      constantsTouched: []
      argNames:
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        - ''
      BBCount:         3
      ICount:          26
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
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        - _ZN9OpenBabel9matrix3x3D2Ev
      functionUses:    11
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel9matrix3x38FillOrthEdddddd
        - Src:             'src/generic.cpp:293,16'
          Dst:             _ZN9OpenBabel9matrix3x3C2Ed
        - Src:             'src/generic.cpp:293,5'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
    - functionName:    _ZN9OpenBabel10OBUnitCellaSERKS0_
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      linkageType:     InternalLinkage
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      functionDepth:   0
      returnType:      'N/A'
      argCount:        2
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         6
      ICount:          41
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
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        - _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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      Callsites:
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          Dst:             _ZN9OpenBabel17OBGraphSymPrivate12GetGTDVectorERNSt3__16vectorIiNS1_9allocatorIiEEEE
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          Dst:             _ZN9OpenBabel17OBGraphSymPrivate13FindRingAtomsERNS_8OBBitVecE
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          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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          Dst:             _ZN9OpenBabel17OBGraphSymPrivate13GetHvyBondSumEPNS_6OBAtomE
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          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/graphsym.cpp:335,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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      Callsites:
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          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/graphsym.cpp:209,20'
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          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/graphsym.cpp:220,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/graphsym.cpp:226,12'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/graphsym.cpp:226,25'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/graphsym.cpp:227,12'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/graphsym.cpp:228,12'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/graphsym.cpp:230,20'
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        - Src:             'src/graphsym.cpp:231,14'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/graphsym.cpp:232,27'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/graphsym.cpp:232,53'
          Dst:             _ZNK9OpenBabel8OBBitVec6EndBitEv
        - Src:             'src/graphsym.cpp:233,26'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/graphsym.cpp:234,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/graphsym.cpp:234,28'
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          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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        - Src:             'src/graphsym.cpp:239,26'
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        - Src:             'src/graphsym.cpp:240,26'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/graphsym.cpp:241,26'
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          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/graphsym.cpp:236,62'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/graphsym.cpp:245,14'
          Dst:             _ZN9OpenBabel8OBBitVecoRERKS0_
        - Src:             'src/graphsym.cpp:246,14'
          Dst:             _ZN9OpenBabel8OBBitVecaSERKS0_
        - Src:             'src/graphsym.cpp:217,59'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/graphsym.cpp:253,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/graphsym.cpp:253,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/graphsym.cpp:253,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/graphsym.cpp:253,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/graphsym.cpp:253,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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      ICount:          112
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      functionsReached:
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        - _ZN9OpenBabel8OBBitVecD2Ev
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        - _ZNK9OpenBabel5OBMol8NumAtomsEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/graphsym.cpp:268,16'
          Dst:             _ZN9OpenBabel8OBBitVec6ResizeEj
        - Src:             'src/graphsym.cpp:269,16'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/graphsym.cpp:271,23'
          Dst:             _ZN9OpenBabel5OBMol7GetSSSREv
        - Src:             'src/graphsym.cpp:274,36'
          Dst:             _ZN9OpenBabelanERKNS_8OBBitVecES2_
        - Src:             'src/graphsym.cpp:275,17'
          Dst:             _ZN9OpenBabeleqERKNS_8OBBitVecES2_
        - Src:             'src/graphsym.cpp:276,20'
          Dst:             _ZN9OpenBabel8OBBitVecoRERKS0_
        - Src:             'src/graphsym.cpp:277,5'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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      BBCount:         14
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      EdgeCount:       18
      CyclomaticComplexity: 6
      functionsReached:
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        - _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/graphsym.cpp:148,19'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/graphsym.cpp:149,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/graphsym.cpp:149,23'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/graphsym.cpp:149,55'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/graphsym.cpp:147,57'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
    - functionName:    _ZN9OpenBabel17OBGraphSymPrivate13GetHvyBondSumEPNS_6OBAtomE
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      CyclomaticComplexity: 10
      functionsReached:
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        - _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
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        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/graphsym.cpp:175,19'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/graphsym.cpp:176,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/graphsym.cpp:176,23'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/graphsym.cpp:176,55'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/graphsym.cpp:177,19'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/graphsym.cpp:180,33'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/graphsym.cpp:174,57'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/graphsym.cpp:183,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/graphsym.cpp:183,44'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/graphsym.cpp:183,66'
          Dst:             _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
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      constantsTouched: []
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      functionsReached:
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        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
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        - Src:             'src/graphsym.cpp:428,33'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/graphsym.cpp:445,24'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/graphsym.cpp:446,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/graphsym.cpp:445,65'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel10OBGraphSymD2Ev
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      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
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      functionUses:    1
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel17OBGraphSymPrivateD2Ev
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      argTypes:
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel17OBGraphSymPrivateC2Ev
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      returnType:      void
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      argTypes:
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          Dst:             _ZN9OpenBabel9Kekulizer8FindPathEjbRNS_8OBBitVecE
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        - Src:             'src/mcdlutil.cpp:1569,14'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/mcdlutil.cpp:1570,14'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/mcdlutil.cpp:1584,18'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEi
        - Src:             'src/mcdlutil.cpp:1585,14'
          Dst:             _ZN9OpenBabel11TSingleBondC2Ev
        - Src:             'src/mcdlutil.cpp:1586,23'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/mcdlutil.cpp:1587,23'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/mcdlutil.cpp:1588,20'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/mcdlutil.cpp:1591,17'
          Dst:             _ZN9OpenBabel6OBBond7IsWedgeEv
        - Src:             'src/mcdlutil.cpp:1592,17'
          Dst:             _ZN9OpenBabel6OBBond6IsHashEv
        - Src:             'src/mcdlutil.cpp:1573,18'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/mcdlutil.cpp:1574,14'
          Dst:             _ZN9OpenBabel11TSingleAtomC2Ev
        - Src:             'src/mcdlutil.cpp:1575,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mcdlutil.cpp:1576,20'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/mcdlutil.cpp:1577,20'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/mcdlutil.cpp:1578,20'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/mcdlutil.cpp:1579,20'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/mcdlutil.cpp:1584,18'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEi
        - Src:             'src/mcdlutil.cpp:1585,14'
          Dst:             _ZN9OpenBabel11TSingleBondC2Ev
        - Src:             'src/mcdlutil.cpp:1586,23'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/mcdlutil.cpp:1587,23'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/mcdlutil.cpp:1588,20'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/mcdlutil.cpp:1591,17'
          Dst:             _ZN9OpenBabel6OBBond7IsWedgeEv
        - Src:             'src/mcdlutil.cpp:1592,17'
          Dst:             _ZN9OpenBabel6OBBond6IsHashEv
        - Src:             'src/mcdlutil.cpp:1593,61'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/mcdlutil.cpp:1593,37'
          Dst:             _ZN9OpenBabel14OBStereoFacade17HasCisTransStereoEm
        - Src:             'src/mcdlutil.cpp:1594,74'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/mcdlutil.cpp:1594,50'
          Dst:             _ZN9OpenBabel14OBStereoFacade17GetCisTransStereoEm
        - Src:             'src/mcdlutil.cpp:1594,84'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - Src:             'src/mcdlutil.cpp:1597,7'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/mcdlutil.cpp:1597,7'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/mcdlutil.cpp:1602,5'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:1603,5'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - Src:             'src/mcdlutil.cpp:1604,3'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
        - Src:             'src/mcdlutil.cpp:1604,3'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
    - functionName:    _ZN9OpenBabel14TemplateRedrawC2Ev
      functionSourceFile: '/src/openbabel/src/mcdlutil.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 5165
      functionLinenumberEnd: 5199
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         43
      ICount:          180
      EdgeCount:       44
      CyclomaticComplexity: 3
      functionsReached:
        - _ZN9OpenBabel14TemplateRedraw13loadTemplatesEv
        - _ZN9OpenBabel15TEditedMolecule12prepareQueryERNS_15TSimpleMoleculeE
        - _ZN9OpenBabel15TEditedMoleculeC2Ev
        - _ZN9OpenBabel15TEditedMoleculeD2Ev
        - _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - _ZN9OpenBabel15TSimpleMolecule20setCoordinatesStringENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
      functionUses:    4
      BranchProfiles:  []
      Callsites:
        - Src:             'src/mcdlutil.cpp:5172,25'
          Dst:             _ZN9OpenBabel15TEditedMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:5176,9'
          Dst:             _ZN9OpenBabel14TemplateRedraw13loadTemplatesEv
        - Src:             'src/mcdlutil.cpp:5179,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule20setCoordinatesStringENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/mcdlutil.cpp:5180,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5181,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - Src:             'src/mcdlutil.cpp:5182,18'
          Dst:             _ZN9OpenBabel15TEditedMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:5183,15'
          Dst:             _ZN9OpenBabel15TEditedMolecule12prepareQueryERNS_15TSimpleMoleculeE
        - Src:             'src/mcdlutil.cpp:5190,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5190,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5191,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5191,42'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5192,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5192,44'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5198,7'
          Dst:             _ZN9OpenBabel15TEditedMoleculeD2Ev
        - Src:             'src/mcdlutil.cpp:5198,7'
          Dst:             _ZN9OpenBabel15TEditedMoleculeD2Ev
    - functionName:    _ZN9OpenBabel14TemplateRedraw10redrawFineERNS_15TSimpleMoleculeE
      functionSourceFile: '/src/openbabel/src/mcdlutil.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 5847
      functionLinenumberEnd: 6046
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         307
      ICount:          1335
      EdgeCount:       311
      CyclomaticComplexity: 6
      functionsReached:
        - _ZN9OpenBabel11TSingleAtom5cloneEv
        - _ZN9OpenBabel11TSingleBond5cloneEv
        - _ZN9OpenBabel14TemplateRedraw16arrangeMoleculesERNSt3__16vectorIPNS_22PartFragmentDefinitionENS1_9allocatorIS4_EEEEd
        - _ZN9OpenBabel14TemplateRedraw18coordinatesPrepareERNS_15TEditedMoleculeEii
        - _ZN9OpenBabel14TemplateRedraw21rescaleSingleFragmentEPNS_15TSimpleMoleculeEPNSt3__16vectorIiNS3_9allocatorIiEEEERNS_22PartFragmentDefinitionEd
        - _ZN9OpenBabel14TemplateRedraw27selectFragmentConfigurationEPNS_15TSimpleMoleculeEPNSt3__16vectorIiNS3_9allocatorIiEEEE
        - _ZN9OpenBabel15TEditedMolecule15extractFragmentEiPNSt3__16vectorIiNS1_9allocatorIiEEEE
        - _ZN9OpenBabel15TEditedMoleculeC2Ev
        - _ZN9OpenBabel15TEditedMoleculeD2Ev
        - _ZN9OpenBabel15TSimpleMolecule12makeFragmentERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - _ZN9OpenBabel15TSimpleMolecule14redrawMoleculeEv
        - _ZN9OpenBabel15TSimpleMolecule17averageBondLengthEv
        - _ZN9OpenBabel15TSimpleMolecule17correctOverlappedEv
        - _ZN9OpenBabel15TSimpleMolecule20correctDblBondStereoEv
        - _ZN9OpenBabel15TSimpleMolecule5clearEv
        - _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - _ZN9OpenBabel15TSimpleMolecule7addAtomEPNS_11TSingleAtomE
        - _ZN9OpenBabel15TSimpleMolecule7addBondEPNS_11TSingleBondE
        - _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - _ZN9OpenBabel22PartFragmentDefinitionC2Ev
        - _ZN9OpenBabel8intToStrEi
        - atoi
        - cos
        - sin
      functionUses:    4
      BranchProfiles:  []
      Callsites:
        - Src:             'src/mcdlutil.cpp:5850,38'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5860,21'
          Dst:             _ZN9OpenBabel15TEditedMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:5861,21'
          Dst:             _ZN9OpenBabel15TEditedMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:5870,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5874,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5871,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5871,24'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:5871,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5872,41'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5872,25'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:5872,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5870,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5875,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - Src:             'src/mcdlutil.cpp:5876,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14redrawMoleculeEv
        - Src:             'src/mcdlutil.cpp:5880,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule17averageBondLengthEv
        - Src:             'src/mcdlutil.cpp:5883,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:5885,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5896,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5885,47'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5885,78'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5885,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5898,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5896,63'
          Dst:             _ZN9OpenBabel8intToStrEi
        - Src:             'src/mcdlutil.cpp:5896,46'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5896,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5901,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5898,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5902,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12makeFragmentERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - Src:             'src/mcdlutil.cpp:5907,19'
          Dst:             _ZN9OpenBabel15TEditedMolecule15extractFragmentEiPNSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/mcdlutil.cpp:5908,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5909,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5901,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5917,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5933,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5933,42'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5933,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5936,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:5940,11'
          Dst:             _ZN9OpenBabel14TemplateRedraw18coordinatesPrepareERNS_15TEditedMoleculeEii
        - Src:             'src/mcdlutil.cpp:5942,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule20correctDblBondStereoEv
        - Src:             'src/mcdlutil.cpp:5943,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule17correctOverlappedEv
        - Src:             'src/mcdlutil.cpp:5945,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:5947,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:5952,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5953,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5955,7'
          Dst:             _ZN9OpenBabel14TemplateRedraw27selectFragmentConfigurationEPNS_15TSimpleMoleculeEPNSt3__16vectorIiNS3_9allocatorIiEEEE
        - Src:             'src/mcdlutil.cpp:5956,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule17averageBondLengthEv
        - Src:             'src/mcdlutil.cpp:5957,47'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5958,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5958,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5959,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5959,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5957,47'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5967,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule5clearEv
        - Src:             'src/mcdlutil.cpp:5971,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5975,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5972,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5972,28'
          Dst:             _ZN9OpenBabel11TSingleAtom5cloneEv
        - Src:             'src/mcdlutil.cpp:5973,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7addAtomEPNS_11TSingleAtomE
        - Src:             'src/mcdlutil.cpp:5971,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5985,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5976,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5976,28'
          Dst:             _ZN9OpenBabel11TSingleBond5cloneEv
        - Src:             'src/mcdlutil.cpp:5977,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5978,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5979,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7addBondEPNS_11TSingleBondE
        - Src:             'src/mcdlutil.cpp:5975,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5986,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5986,71'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5987,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5987,71'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5988,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5988,71'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5989,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5989,71'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5985,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5991,14'
          Dst:             _ZN9OpenBabel22PartFragmentDefinitionC2Ev
        - Src:             'src/mcdlutil.cpp:6003,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:6005,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:6008,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule17averageBondLengthEv
        - Src:             'src/mcdlutil.cpp:6014,7'
          Dst:             _ZN9OpenBabel14TemplateRedraw16arrangeMoleculesERNSt3__16vectorIPNS_22PartFragmentDefinitionENS1_9allocatorIS4_EEEEd
        - Src:             'src/mcdlutil.cpp:6018,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12makeFragmentERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - Src:             'src/mcdlutil.cpp:6019,9'
          Dst:             _ZN9OpenBabel14TemplateRedraw21rescaleSingleFragmentEPNS_15TSimpleMoleculeEPNSt3__16vectorIiNS3_9allocatorIiEEEERNS_22PartFragmentDefinitionEd
        - Src:             'src/mcdlutil.cpp:6023,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule17averageBondLengthEv
        - Src:             'src/mcdlutil.cpp:6024,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:6025,38'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6025,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6026,38'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6026,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6024,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:6028,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:6029,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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      ICount:          16
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      BBCount:         50
      ICount:          242
      EdgeCount:       68
      CyclomaticComplexity: 20
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      functionUses:    7
      BranchProfiles:  []
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:1463,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1471,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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      ICount:          365
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          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4419,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4420,44'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4420,44'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4421,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4421,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4422,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12makeFragmentERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - Src:             'src/mcdlutil.cpp:4432,17'
          Dst:             _ZN9OpenBabel15TEditedMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:4434,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4434,36'
          Dst:             _ZN9OpenBabel11TSingleAtom5cloneEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7addAtomEPNS_11TSingleAtomE
        - Src:             'src/mcdlutil.cpp:4438,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4438,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4439,41'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4440,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4440,42'
          Dst:             _ZN9OpenBabel11TSingleBond5cloneEv
        - Src:             'src/mcdlutil.cpp:4441,49'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4442,49'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4443,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7addBondEPNS_11TSingleBondE
        - Src:             'src/mcdlutil.cpp:4438,35'
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      constantsTouched: []
      argNames:
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      ICount:          1212
      EdgeCount:       514
      CyclomaticComplexity: 253
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        - _ZN9OpenBabel15TEditedMolecule15extractFragmentEiPNSt3__16vectorIiNS1_9allocatorIiEEEE
        - _ZN9OpenBabel15TEditedMoleculeC2Ev
        - _ZN9OpenBabel15TEditedMoleculeD2Ev
        - _ZN9OpenBabel15TSimpleMolecule10deleteAtomEi
        - _ZN9OpenBabel15TSimpleMolecule10deleteBondEi
        - _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - _ZN9OpenBabel15TSimpleMolecule14redrawMoleculeEv
        - _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - _ZN9OpenBabel15TSimpleMolecule6redrawENSt3__16vectorIiNS1_9allocatorIiEEEES5_iRiiiib
        - _ZN9OpenBabel15TSimpleMolecule7addAtomEPNS_11TSingleAtomE
        - _ZN9OpenBabel15TSimpleMolecule7addAtomEiidd
        - _ZN9OpenBabel15TSimpleMolecule7addBondEPNS_11TSingleBondE
        - _ZN9OpenBabel15TSimpleMolecule7addBondEiii
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5670,8'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - Src:             'src/mcdlutil.cpp:5676,59'
          Dst:             _ZN9OpenBabel15TEditedMolecule14fragmentSearchEPS0_PNSt3__16vectorIiNS2_9allocatorIiEEEE
        - Src:             'src/mcdlutil.cpp:5678,15'
          Dst:             _ZN9OpenBabel14TemplateRedraw20internalBondsPresentEPNS_15TEditedMoleculeEPNS_15TSimpleMoleculeE
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7addAtomEiidd
        - Src:             'src/mcdlutil.cpp:5689,38'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5689,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7addBondEiii
        - Src:             'src/mcdlutil.cpp:5690,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5692,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14redrawMoleculeEv
        - Src:             'src/mcdlutil.cpp:5694,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5694,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10deleteBondEi
        - Src:             'src/mcdlutil.cpp:5695,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5695,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10deleteAtomEi
        - Src:             'src/mcdlutil.cpp:5696,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5705,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5707,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5711,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5711,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5712,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5712,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5707,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5705,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5723,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5733,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5742,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5739,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5739,35'
          Dst:             _ZN9OpenBabel11TSingleAtom5cloneEv
        - Src:             'src/mcdlutil.cpp:5739,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7addAtomEPNS_11TSingleAtomE
        - Src:             'src/mcdlutil.cpp:5733,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5743,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5743,27'
          Dst:             _ZN9OpenBabel11TSingleBond5cloneEv
        - Src:             'src/mcdlutil.cpp:5746,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7addBondEPNS_11TSingleBondE
        - Src:             'src/mcdlutil.cpp:5742,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5751,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5752,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - Src:             'src/mcdlutil.cpp:5757,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5758,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5758,55'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5758,91'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5758,124'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5759,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5761,30'
          Dst:             _ZN9OpenBabel15TEditedMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:5762,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5763,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5764,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5766,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5767,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5769,47'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5770,47'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5771,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10deleteBondEi
        - Src:             'src/mcdlutil.cpp:5772,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5773,29'
          Dst:             _ZN9OpenBabel15TEditedMolecule15extractFragmentEiPNSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/mcdlutil.cpp:5774,25'
          Dst:             _ZN9OpenBabel15TEditedMolecule15extractFragmentEiPNSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/mcdlutil.cpp:5775,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:5777,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:5757,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5786,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5792,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5795,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5796,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5792,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5805,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5806,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6redrawENSt3__16vectorIiNS1_9allocatorIiEEEES5_iRiiiib
        - Src:             'src/mcdlutil.cpp:5810,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5810,64'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5810,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5817,9'
          Dst:             _ZN9OpenBabel14TemplateRedraw18coordinatesPrepareERNS_15TEditedMoleculeEii
        - Src:             'src/mcdlutil.cpp:5819,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5819,46'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5819,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5823,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5823,64'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5823,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5828,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5830,14'
          Dst:             _ZN9OpenBabel15TEditedMolecule13addAsTemplateERS0_iiiib
        - Src:             'src/mcdlutil.cpp:5833,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:5834,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5835,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - Src:             'src/mcdlutil.cpp:5839,3'
          Dst:             _ZN9OpenBabel15TEditedMoleculeD2Ev
        - Src:             'src/mcdlutil.cpp:5839,3'
          Dst:             _ZN9OpenBabel15TEditedMoleculeD2Ev
    - functionName:    _ZN9OpenBabel15TSimpleMolecule20correctDblBondStereoEv
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      linkageType:     InternalLinkage
      functionLinenumber: 3086
      functionLinenumberEnd: 3131
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
        - ''
      BBCount:         61
      ICount:          265
      EdgeCount:       83
      CyclomaticComplexity: 24
      functionsReached:
        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - _ZN9OpenBabel15TSimpleMolecule9flipSmallEi
        - _ZN9OpenBabel8sproductERNS_15TSimpleMoleculeEiii
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/mcdlutil.cpp:3092,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:3093,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:3111,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:3112,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:3111,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:3124,13'
          Dst:             _ZN9OpenBabel8sproductERNS_15TSimpleMoleculeEiii
        - Src:             'src/mcdlutil.cpp:3126,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule9flipSmallEi
        - Src:             'src/mcdlutil.cpp:3092,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
    - functionName:    _ZN9OpenBabel15TSimpleMolecule17correctOverlappedEv
      functionSourceFile: '/src/openbabel/src/mcdlutil.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 3353
      functionLinenumberEnd: 3504
      functionDepth:   0
      returnType:      int
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         204
      ICount:          843
      EdgeCount:       206
      CyclomaticComplexity: 4
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        - Src:             'src/mcdlutil.cpp:4869,77'
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        - Src:             'src/mcdlutil.cpp:4870,20'
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        - Src:             'src/mcdlutil.cpp:4870,81'
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        - Src:             'src/mcdlutil.cpp:4871,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4871,87'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4872,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4872,87'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4873,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4873,105'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4874,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4874,77'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4877,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4877,27'
          Dst:             calloc
        - Src:             'src/mcdlutil.cpp:4878,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4882,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
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        - Src:             'src/mcdlutil.cpp:4883,32'
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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        - Src:             'src/mcdlutil.cpp:4878,32'
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          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             calloc
        - Src:             'src/mcdlutil.cpp:4898,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineBondConnEPNS_12adjustedlistE
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4903,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4903,71'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4901,28'
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4953,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4946,59'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4947,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4946,59'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4946,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4947,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4953,59'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4956,59'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4956,70'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4956,20'
          Dst:             _ZN9OpenBabel11TSingleAtom14atomEquivalentEPS0_S1_iibb
        - Src:             'src/mcdlutil.cpp:4957,83'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4957,110'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4960,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4964,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4964,68'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4953,59'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4953,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4975,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4976,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4975,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4976,57'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4978,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4979,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4979,60'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4982,58'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4982,69'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4982,19'
          Dst:             _ZN9OpenBabel11TSingleBond14bondEquivalentEPS0_S1_
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4976,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4988,52'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4988,61'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4988,13'
          Dst:             _ZN9OpenBabel15TEditedMolecule15allQueryPresentENSt3__16vectorIiNS1_9allocatorIiEEEES5_ii
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        - Src:             'src/mcdlutil.cpp:4991,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5009,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5010,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5009,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5011,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5010,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5012,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5011,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5013,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5012,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5013,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5019,15'
          Dst:             _ZN9OpenBabel15TEditedMolecule13directBondAssERiRbS2_PKPKbS6_RNSt3__16vectorIiNS7_9allocatorIiEEEESC_SC_SC_SC_SB_PKNS_12adjustedlistEPNS_15TSimpleMoleculeE
        - Src:             'src/mcdlutil.cpp:5034,31'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5038,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5045,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5046,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5047,41'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5047,41'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5053,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5056,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5053,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5056,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
    - functionName:    _ZN9OpenBabel14TemplateRedraw20internalBondsPresentEPNS_15TEditedMoleculeEPNS_15TSimpleMoleculeE
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      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         46
      ICount:          220
      EdgeCount:       55
      CyclomaticComplexity: 11
      functionsReached:
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        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - _ZN9OpenBabel15TSimpleMolecule7getBondEi
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      BranchProfiles:  []
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5204,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5210,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5211,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5210,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5211,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5213,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5214,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
    - functionName:    _ZN9OpenBabel15TSimpleMolecule7addAtomEiidd
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      argTypes:
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      constantsTouched: []
      argNames:
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        - ''
        - ''
        - ''
        - ''
      BBCount:         3
      ICount:          28
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
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      functionUses:    1
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel11TSingleAtomC2Ev
    - functionName:    _ZN9OpenBabel15TSimpleMolecule7addBondEiii
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      argTypes:
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      argNames:
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      BBCount:         3
      ICount:          28
      EdgeCount:       3
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      functionsReached:
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      Callsites:
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          Dst:             _ZN9OpenBabel11TSingleBondC2Ev
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      BBCount:         27
      ICount:          124
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      functionsReached:
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        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - _ZN9OpenBabel15TSimpleMolecule7getBondEi
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      Callsites:
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:1378,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:1379,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1382,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1382,9'
          Dst:             _ZN9OpenBabel11TSingleBondD2Ev
        - Src:             'src/mcdlutil.cpp:1378,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
    - functionName:    _ZN9OpenBabel15TSimpleMolecule10deleteAtomEi
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      argNames:
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      ICount:          310
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      functionsReached:
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        - _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:1393,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:1398,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:1399,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1402,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1402,9'
          Dst:             _ZN9OpenBabel11TSingleAtomD2Ev
        - Src:             'src/mcdlutil.cpp:1398,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:1411,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1411,44'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1412,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1412,9'
          Dst:             _ZN9OpenBabel11TSingleBondD2Ev
        - Src:             'src/mcdlutil.cpp:1415,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1415,58'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1415,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1416,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1416,58'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1416,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1417,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
    - functionName:    _ZN9OpenBabel15TSimpleMolecule6redrawENSt3__16vectorIiNS1_9allocatorIiEEEES5_iRiiiib
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      argNames:
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        - ''
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        - ''
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        - ''
      BBCount:         619
      ICount:          3352
      EdgeCount:       1212
      CyclomaticComplexity: 595
      functionsReached:
        - _ZN9OpenBabel15TSimpleMolecule10bondLengthEi
        - _ZN9OpenBabel15TSimpleMolecule13canonizeCycleEiRNSt3__16vectorIiNS1_9allocatorIiEEEE
        - _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - _ZN9OpenBabel15TSimpleMolecule14defineBondConnEPNS_12adjustedlistE
        - _ZN9OpenBabel15TSimpleMolecule16threeBondResolveEiiRdS1_PNS_12adjustedlistE
        - _ZN9OpenBabel15TSimpleMolecule17twoAtomUnitVectorEiiRdS1_NSt3__16vectorIiNS2_9allocatorIiEEEE
        - _ZN9OpenBabel15TSimpleMolecule4defAERiiiiRNSt3__16vectorIiNS2_9allocatorIiEEEES6_S7_RNS3_IS6_NS4_IS6_EEEES7_S7_S7_S7_
        - _ZN9OpenBabel15TSimpleMolecule4defCERiiiRNSt3__16vectorIiNS2_9allocatorIiEEEES7_RNS3_IS6_NS4_IS6_EEEES7_S7_S7_S7_S7_
        - _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - _ZN9OpenBabel15TSimpleMolecule8vaweBondEiPNS_12adjustedlistERiRNSt3__16vectorIiNS4_9allocatorIiEEEE
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      BranchProfiles:
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          Branch Sides:    []
      Callsites:
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          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:2230,5'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - Src:             'src/mcdlutil.cpp:2233,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2233,27'
          Dst:             calloc
        - Src:             'src/mcdlutil.cpp:2234,5'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineBondConnEPNS_12adjustedlistE
        - Src:             'src/mcdlutil.cpp:2247,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule8vaweBondEiPNS_12adjustedlistERiRNSt3__16vectorIiNS4_9allocatorIiEEEE
        - Src:             'src/mcdlutil.cpp:2249,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule13canonizeCycleEiRNSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/mcdlutil.cpp:2274,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2274,31'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2274,54'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2274,73'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2274,116'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2275,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2279,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2279,58'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2279,106'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2291,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2297,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2298,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2299,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2297,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2303,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:2311,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:2312,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10bondLengthEi
        - Src:             'src/mcdlutil.cpp:2311,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:2322,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2323,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2328,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10bondLengthEi
        - Src:             'src/mcdlutil.cpp:2335,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2336,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2337,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2338,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2340,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2341,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2345,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2345,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2346,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2346,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2354,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2356,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2356,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2369,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2365,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule4defCERiiiRNSt3__16vectorIiNS2_9allocatorIiEEEES7_RNS3_IS6_NS4_IS6_EEEES7_S7_S7_S7_S7_
        - Src:             'src/mcdlutil.cpp:2366,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule4defAERiiiiRNSt3__16vectorIiNS2_9allocatorIiEEEES6_S7_RNS3_IS6_NS4_IS6_EEEES7_S7_S7_S7_
        - Src:             'src/mcdlutil.cpp:2369,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2372,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2372,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2377,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2378,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2378,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2379,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2379,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2377,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2390,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2390,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2391,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2391,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2397,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2404,48'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2405,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2407,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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        - Src:             'src/mcdlutil.cpp:2419,22'
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        - Src:             'src/mcdlutil.cpp:2420,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2425,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule16threeBondResolveEiiRdS1_PNS_12adjustedlistE
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        - Src:             'src/mcdlutil.cpp:2456,23'
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2474,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2489,66'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2490,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2491,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2491,44'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2492,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2492,44'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2495,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2496,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2498,29'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2498,40'
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        - Src:             'src/mcdlutil.cpp:2499,40'
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        - Src:             'src/mcdlutil.cpp:2504,37'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2504,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2505,37'
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        - Src:             'src/mcdlutil.cpp:2505,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2512,25'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2512,36'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2513,36'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2518,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2518,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2519,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2519,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2521,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2522,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2524,28'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2524,39'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2525,39'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2529,37'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2529,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2530,37'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2530,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2541,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2541,50'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2542,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2542,52'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2543,27'
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        - Src:             'src/mcdlutil.cpp:2547,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2548,22'
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        - Src:             'src/mcdlutil.cpp:2549,22'
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        - Src:             'src/mcdlutil.cpp:2550,24'
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        - Src:             'src/mcdlutil.cpp:2550,50'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2550,76'
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        - Src:             'src/mcdlutil.cpp:2550,102'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2559,24'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2559,35'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2560,36'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2565,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2565,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2566,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2566,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2573,22'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2573,33'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2574,34'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2581,23'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2582,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2583,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2585,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2586,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2590,50'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2590,68'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2590,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2591,50'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2591,68'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2591,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2602,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule17twoAtomUnitVectorEiiRdS1_NSt3__16vectorIiNS2_9allocatorIiEEEE
        - Src:             'src/mcdlutil.cpp:2604,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2604,37'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2605,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2605,37'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2610,22'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2610,41'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2617,21'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2619,16'
          Dst:             sqrt
        - Src:             'src/mcdlutil.cpp:2621,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2621,37'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2622,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2622,37'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2623,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2624,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2626,22'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2626,44'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2627,44'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2628,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2628,61'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2631,46'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2631,64'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2631,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2632,46'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2632,64'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2632,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2644,62'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10bondLengthEi
        - Src:             'src/mcdlutil.cpp:2648,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2649,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2655,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2656,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2657,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2657,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2658,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2658,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2664,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2665,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2666,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2667,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2674,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2674,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2675,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2675,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
    - functionName:    _ZN9OpenBabel15TEditedMolecule13addAsTemplateERS0_iiiib
      functionSourceFile: '/src/openbabel/src/mcdlutil.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 4230
      functionLinenumberEnd: 4406
      functionDepth:   0
      returnType:      void
      argCount:        7
      argTypes:
        - 'N/A'
        - 'N/A'
        - int
        - int
        - int
        - int
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
        - ''
        - ''
        - ''
      BBCount:         172
      ICount:          963
      EdgeCount:       285
      CyclomaticComplexity: 115
      functionsReached:
        - _ZN9OpenBabel15TEditedMolecule11addFragmentERS0_iiiiRNSt3__16vectorIiNS2_9allocatorIiEEEEdddddddib
        - _ZN9OpenBabel15TSimpleMolecule10unitVectorEiRdS1_
        - _ZN9OpenBabel15TSimpleMolecule12makeFragmentERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - _ZN9OpenBabel15TSimpleMolecule14bondUnitVectorEiRdS1_
        - _ZN9OpenBabel15TSimpleMolecule17averageBondLengthEv
        - _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - _ZN9OpenBabel15TSimpleMolecule7addBondEiii
        - _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - atan
        - cos
        - sin
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/mcdlutil.cpp:4249,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4251,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:4261,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4268,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12makeFragmentERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - Src:             'src/mcdlutil.cpp:4272,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4273,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4278,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4280,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4281,31'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4281,83'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4281,63'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4282,31'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4282,83'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4282,63'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4289,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4289,81'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4289,61'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4290,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4290,81'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4290,61'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4294,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4296,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4297,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4297,64'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4297,50'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4298,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4298,64'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4298,50'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4305,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4305,62'
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        - Src:             'src/mcdlutil.cpp:4305,48'
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1120,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1120,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1134,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1135,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule16threeBondResolveEiiRdS1_PNS_12adjustedlistE
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1144,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1144,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1145,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1145,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1143,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1144,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1176,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1178,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1178,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1179,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1179,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1176,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1193,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1194,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1210,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1211,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1222,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1223,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1223,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1224,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1224,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1236,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule20unitVectorCoincidentEidd
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          Dst:             _ZN9OpenBabel15TSimpleMolecule20unitVectorCoincidentEidd
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          Dst:             _ZN9OpenBabel15TSimpleMolecule20unitVectorCoincidentEidd
        - Src:             'src/mcdlutil.cpp:1252,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule20unitVectorCoincidentEidd
        - Src:             'src/mcdlutil.cpp:1262,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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      ICount:          0
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      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    2
      BranchProfiles:  []
      Callsites:       []
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      BBCount:         183
      ICount:          846
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4003,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4004,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineBondConnEPNS_12adjustedlistE
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        - Src:             'src/mcdlutil.cpp:1000,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1042,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4485,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4486,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4487,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4488,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4489,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4490,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4492,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4492,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4504,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4505,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4506,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4506,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4510,19'
          Dst:             _ZN9OpenBabel15TEditedMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:4514,5'
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          Dst:             _ZN9OpenBabel15TEditedMolecule14atomBondChangeEv
        - Src:             'src/mcdlutil.cpp:4516,5'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineBondConnEPNS_12adjustedlistE
        - Src:             'src/mcdlutil.cpp:4518,17'
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4520,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4522,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4526,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4526,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4527,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4527,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4613,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4614,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4614,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4614,61'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4614,98'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4614,83'
          Dst:             _ZN9OpenBabel11TSingleBond8bondCopyEPS0_
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4617,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4617,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4618,65'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4618,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4619,65'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4619,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4622,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:4623,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:4625,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4625,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4625,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4626,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineBondConnEPNS_12adjustedlistE
        - Src:             'src/mcdlutil.cpp:4629,20'
          Dst:             _ZN9OpenBabel15TEditedMolecule16stereoBondChangeEv
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      constantsTouched: []
      argNames:
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      BBCount:         90
      ICount:          385
      EdgeCount:       123
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      functionsReached:
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        - _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - _ZN9OpenBabel16deleteIntElementEPNSt3__16vectorIiNS0_9allocatorIiEEEEi
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      ICount:          1743
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6276,65'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6250,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:6286,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:6292,3'
          Dst:             _ZN9OpenBabel15TEditedMoleculeD2Ev
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          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             calloc
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          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineBondConnEPNS_12adjustedlistE
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel11TSingleAtom9allAtAtomEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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      ICount:          779
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          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:3164,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:3169,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:3173,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:3176,55'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:3176,55'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:3176,55'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:3177,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:3177,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:3224,17'
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        - Src:             'src/parsmart.cpp:2228,49'
          Dst:             _ZNK9OpenBabel6OBAtom15GetTotalValenceEv
        - Src:             'src/parsmart.cpp:2233,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/parsmart.cpp:2235,49'
          Dst:             _ZNK9OpenBabel6OBAtom14CountRingBondsEv
        - Src:             'src/parsmart.cpp:2241,16'
          Dst:             _ZN9OpenBabel15OBSmartsMatcher12EvalAtomExprEPNS_9_AtomExprEPNS_6OBAtomE
        - Src:             'src/parsmart.cpp:2246,15'
          Dst:             _ZN9OpenBabel15OBSmartsMatcher12EvalAtomExprEPNS_9_AtomExprEPNS_6OBAtomE
        - Src:             'src/parsmart.cpp:2257,40'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/parsmart.cpp:2261,50'
          Dst:             _ZN9OpenBabel6OBAtom9GetParentEv
        - Src:             'src/parsmart.cpp:2261,64'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/parsmart.cpp:2263,42'
          Dst:             _ZN9OpenBabel6OBAtom9GetParentEv
        - Src:             'src/parsmart.cpp:2263,17'
          Dst:             _ZN9OpenBabel15OBSmartsMatcher5matchERNS_5OBMolEPKNS_7PatternERNSt3__16vectorINS7_IiNS6_9allocatorIiEEEENS8_ISA_EEEEb
        - Src:             'src/parsmart.cpp:2272,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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      argTypes:
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      constantsTouched: []
      argNames:
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        - ''
      BBCount:         31
      ICount:          137
      EdgeCount:       35
      CyclomaticComplexity: 6
      functionsReached:
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        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel6OBBond8IsInRingEv
      functionUses:    6
      BranchProfiles:
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          Branch Sides:    []
      Callsites:
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          Dst:             _ZN9OpenBabel15OBSmartsMatcher12EvalBondExprEPNS_9_BondExprEPNS_6OBBondE
        - Src:             'src/parsmart.cpp:2293,15'
          Dst:             _ZN9OpenBabel15OBSmartsMatcher12EvalBondExprEPNS_9_BondExprEPNS_6OBBondE
        - Src:             'src/parsmart.cpp:2304,24'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/parsmart.cpp:2304,51'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/parsmart.cpp:2306,24'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/parsmart.cpp:2306,52'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/parsmart.cpp:2308,24'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/parsmart.cpp:2308,52'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/parsmart.cpp:2310,24'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/parsmart.cpp:2312,24'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/parsmart.cpp:2314,24'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/parsmart.cpp:2316,24'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
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      ICount:          470
      EdgeCount:       211
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        - _ZN9OpenBabel14OBStereoFacadeD2Ev
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      BranchProfiles:
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          Branch Sides:    []
      Callsites:
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          Dst:             _ZN9OpenBabel15OBSmartsMatcher15FastSingleMatchERNS_5OBMolEPKNS_7PatternERNSt3__16vectorINS7_IiNS6_9allocatorIiEEEENS8_ISA_EEEE
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          Dst:             _ZN9OpenBabel9OBSSMatchC2ERNS_5OBMolEPKNS_7PatternE
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          Dst:             _ZN9OpenBabel9OBSSMatch5MatchERNSt3__16vectorINS2_IiNS1_9allocatorIiEEEENS3_IS5_EEEEi
        - Src:             'src/parsmart.cpp:2075,5'
          Dst:             _ZN9OpenBabel9OBSSMatchD2Ev
        - Src:             'src/parsmart.cpp:2075,5'
          Dst:             _ZN9OpenBabel9OBSSMatchD2Ev
        - Src:             'src/parsmart.cpp:2097,32'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/parsmart.cpp:2105,26'
          Dst:             _ZN9OpenBabel14OBStereoFacadeC2EPNS_5OBMolEb
        - Src:             'src/parsmart.cpp:2106,73'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/parsmart.cpp:2106,44'
          Dst:             _ZN9OpenBabel14OBStereoFacade20GetTetrahedralStereoEm
        - Src:             'src/parsmart.cpp:2107,27'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/parsmart.cpp:2107,15'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/parsmart.cpp:2125,39'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigC2Ev
        - Src:             'src/parsmart.cpp:2126,41'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/parsmart.cpp:2130,31'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/parsmart.cpp:2132,38'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/parsmart.cpp:2138,31'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/parsmart.cpp:2140,29'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/parsmart.cpp:2142,29'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/parsmart.cpp:2143,29'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/parsmart.cpp:2145,65'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/parsmart.cpp:2145,79'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/parsmart.cpp:2145,31'
          Dst:             _ZN9OpenBabel8OBStereo8MakeRefsEmmmm
        - Src:             'src/parsmart.cpp:2164,19'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/parsmart.cpp:2164,31'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo6ConfigneERKS1_
        - Src:             'src/parsmart.cpp:2164,15'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/parsmart.cpp:2164,15'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/parsmart.cpp:2170,9'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/parsmart.cpp:2170,9'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/parsmart.cpp:2170,9'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
        - Src:             'src/parsmart.cpp:2170,9'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/parsmart.cpp:2170,9'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
        - Src:             'src/parsmart.cpp:2170,9'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
    - functionName:    _ZN9OpenBabel15OBSmartsMatcher15FastSingleMatchERNS_5OBMolEPKNS_7PatternERNSt3__16vectorINS7_IiNS6_9allocatorIiEEEENS8_ISA_EEEE
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      returnType:      void
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      argTypes:
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        - 'N/A'
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        - 'N/A'
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      BBCount:         77
      ICount:          425
      EdgeCount:       150
      CyclomaticComplexity: 75
      functionsReached:
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        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel8OBBitVec5ClearEv
        - _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - _ZN9OpenBabel8OBBitVec9SetBitOffEj
        - _ZN9OpenBabel8OBBitVecC2Ej
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol7GetBondEii
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel8OBBitVecixEi
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/parsmart.cpp:1974,21'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/parsmart.cpp:1974,14'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ej
        - Src:             'src/parsmart.cpp:1987,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/parsmart.cpp:1988,11'
          Dst:             _ZN9OpenBabel15OBSmartsMatcher12EvalAtomExprEPNS_9_AtomExprEPNS_6OBAtomE
        - Src:             'src/parsmart.cpp:1990,26'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/parsmart.cpp:1993,14'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/parsmart.cpp:1994,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/parsmart.cpp:1994,14'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/parsmart.cpp:2011,42'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/parsmart.cpp:2013,35'
          Dst:             _ZN9OpenBabel15OBSmartsMatcher12EvalBondExprEPNS_9_BondExprEPNS_6OBBondE
        - Src:             'src/parsmart.cpp:2027,28'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/parsmart.cpp:2031,33'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/parsmart.cpp:2035,26'
          Dst:             _ZN9OpenBabel8OBBitVec9SetBitOffEj
        - Src:             'src/parsmart.cpp:2036,33'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/parsmart.cpp:2040,34'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/parsmart.cpp:2040,26'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/parsmart.cpp:2041,27'
          Dst:             _ZN9OpenBabel15OBSmartsMatcher12EvalAtomExprEPNS_9_AtomExprEPNS_6OBAtomE
        - Src:             'src/parsmart.cpp:2042,30'
          Dst:             _ZN9OpenBabel15OBSmartsMatcher12EvalBondExprEPNS_9_BondExprEPNS_6OBBondE
        - Src:             'src/parsmart.cpp:2044,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/parsmart.cpp:2044,30'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/parsmart.cpp:2045,61'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/parsmart.cpp:2039,37'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/parsmart.cpp:1987,48'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/parsmart.cpp:2058,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/parsmart.cpp:2058,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel15OBSmartsMatcher19SetupAtomMatchTableERNSt3__16vectorINS2_IbNS1_9allocatorIbEEEENS3_IS5_EEEEPKNS_7PatternERNS_5OBMolE
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      argTypes:
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      BBCount:         24
      ICount:          116
      EdgeCount:       31
      CyclomaticComplexity: 9
      functionsReached:
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        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/parsmart.cpp:1958,26'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/parsmart.cpp:1963,23'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/parsmart.cpp:1964,13'
          Dst:             _ZN9OpenBabel15OBSmartsMatcher12EvalAtomExprEPNS_9_AtomExprEPNS_6OBAtomE
        - Src:             'src/parsmart.cpp:1965,25'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/parsmart.cpp:1963,52'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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      argTypes:
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      ICount:          153
      EdgeCount:       36
      CyclomaticComplexity: 6
      functionsReached:
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        - _ZN9OpenBabel15OBSmartsMatcherD2Ev
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      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/parsmart.cpp:1924,21'
          Dst:             _ZN9OpenBabel15OBSmartsMatcherC2Ev
        - Src:             'src/parsmart.cpp:1925,13'
          Dst:             _ZN9OpenBabel15OBSmartsMatcher5matchERNS_5OBMolEPKNS_7PatternERNSt3__16vectorINS7_IiNS6_9allocatorIiEEEENS8_ISA_EEEEb
        - Src:             'src/parsmart.cpp:1949,3'
          Dst:             _ZN9OpenBabel15OBSmartsMatcherD2Ev
        - Src:             'src/parsmart.cpp:1935,16'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/parsmart.cpp:1949,3'
          Dst:             _ZN9OpenBabel15OBSmartsMatcherD2Ev
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      functionDepth:   0
      returnType:      bool
      argCount:        4
      argTypes:
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        - 'N/A'
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      argNames:
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        - ''
      BBCount:         36
      ICount:          176
      EdgeCount:       43
      CyclomaticComplexity: 9
      functionsReached:
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        - _ZN9OpenBabel15OBSmartsMatcherC2Ev
        - _ZN9OpenBabel15OBSmartsMatcherD2Ev
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/parsmart.cpp:1895,21'
          Dst:             _ZN9OpenBabel15OBSmartsMatcherC2Ev
        - Src:             'src/parsmart.cpp:1896,13'
          Dst:             _ZN9OpenBabel15OBSmartsMatcher5matchERNS_5OBMolEPKNS_7PatternERNSt3__16vectorINS7_IiNS6_9allocatorIiEEEENS8_ISA_EEEEb
        - Src:             'src/parsmart.cpp:1915,3'
          Dst:             _ZN9OpenBabel15OBSmartsMatcherD2Ev
        - Src:             'src/parsmart.cpp:1915,3'
          Dst:             _ZN9OpenBabel15OBSmartsMatcherD2Ev
    - functionName:    _ZNK9OpenBabel15OBSmartsPattern5MatchERNS_5OBMolERNSt3__16vectorINS4_IiNS3_9allocatorIiEEEENS5_IS7_EEEENS0_9MatchTypeE
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      functionDepth:   0
      returnType:      bool
      argCount:        4
      argTypes:
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      BBCount:         59
      ICount:          262
      EdgeCount:       60
      CyclomaticComplexity: 3
      functionsReached:
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        - _ZN9OpenBabel15OBSmartsMatcherC2Ev
        - _ZN9OpenBabel15OBSmartsMatcherD2Ev
        - _ZN9OpenBabel5OBMol12AddHydrogensEbbd
        - _ZN9OpenBabel5OBMolC2ERKS0_
        - _ZN9OpenBabel5OBMolD2Ev
        - _ZN9OpenBabel8OBBitVec10FromVecIntERKNSt3__16vectorIiNS1_9allocatorIiEEEE
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...
