---
Fuzzer filename: '/src/openbabel/test/fuzz/fuzz_obconversion.cpp'
All functions:
  Function list name: All functions
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    - functionName:    _ZNSt12length_errorC2B8ne220000EPKc
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      BBCount:         3
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      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: []
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      BBCount:         0
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      functionsReached: []
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      functionSourceFile: ''
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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:    1255
      BranchProfiles:  []
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    - functionName:    _ZN9OpenBabel5OBMolC2ERKS0_
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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:2757,11'
          Dst:             _ZN9OpenBabel5OBMolaSERKS0_
        - Src:             'src/mol.cpp:2758,3'
          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:     externalLinkage
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      argTypes:
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      constantsTouched: []
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      BBCount:         89
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      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:    13
      BranchProfiles:  []
      Callsites:
        - Src:             'src/mol.cpp:1248,24'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/mol.cpp:1249,26'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/mol.cpp:1250,24'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/mol.cpp:1251,26'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/mol.cpp:1253,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:1254,7'
          Dst:             _ZN9OpenBabel5OBMol7AddAtomERNS_6OBAtomEb
        - Src:             'src/mol.cpp:1253,50'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:1255,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:1256,7'
          Dst:             _ZN9OpenBabel5OBMol7AddBondERNS_6OBBondE
        - Src:             'src/mol.cpp:1255,50'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:1259,25'
          Dst:             _ZNK9OpenBabel5OBMol9GetEnergyEv
        - Src:             'src/mol.cpp:1260,28'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/mol.cpp:1261,30'
          Dst:             _ZN9OpenBabel5OBMol14GetTotalChargeEv
        - Src:             'src/mol.cpp:1261,11'
          Dst:             _ZN9OpenBabel5OBMol14SetTotalChargeEi
        - Src:             'src/mol.cpp:1262,40'
          Dst:             _ZN9OpenBabel5OBMol24GetTotalSpinMultiplicityEv
        - Src:             'src/mol.cpp:1262,11'
          Dst:             _ZN9OpenBabel5OBMol24SetTotalSpinMultiplicityEj
        - Src:             'src/mol.cpp:1266,13'
          Dst:             _ZN9OpenBabel5OBMol7HasFlagEi
        - Src:             'src/mol.cpp:1267,13'
          Dst:             _ZN9OpenBabel5OBMol7SetFlagEi
        - Src:             'src/mol.cpp:1268,13'
          Dst:             _ZN9OpenBabel5OBMol7HasFlagEi
        - Src:             'src/mol.cpp:1269,13'
          Dst:             _ZN9OpenBabel5OBMol7SetFlagEi
        - Src:             'src/mol.cpp:1270,13'
          Dst:             _ZN9OpenBabel5OBMol7HasFlagEi
        - Src:             'src/mol.cpp:1271,13'
          Dst:             _ZN9OpenBabel5OBMol7SetFlagEi
        - Src:             'src/mol.cpp:1272,13'
          Dst:             _ZN9OpenBabel5OBMol7HasFlagEi
        - Src:             'src/mol.cpp:1273,13'
          Dst:             _ZN9OpenBabel5OBMol7SetFlagEi
        - 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:1286,31'
          Dst:             _ZNK9OpenBabel5OBMol11NumResiduesEv
        - Src:             'src/mol.cpp:1297,19'
          Dst:             _ZN9OpenBabel5OBMol10NewResidueEv
        - Src:             'src/mol.cpp:1298,27'
          Dst:             _ZNK9OpenBabel5OBMol10GetResidueEi
        - Src:             'src/mol.cpp:1299,18'
          Dst:             _ZN9OpenBabel9OBResidueaSERKS0_
        - Src:             'src/mol.cpp:1300,36'
          Dst:             _ZN9OpenBabel9OBResidue9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:1302,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:1302,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/mol.cpp:1303,22'
          Dst:             _ZN9OpenBabel9OBResidue7AddAtomEPNS_6OBAtomE
        - Src:             'src/mol.cpp:1304,46'
          Dst:             _ZNK9OpenBabel9OBResidue9GetAtomIDEPNS_6OBAtomE
        - Src:             'src/mol.cpp:1304,22'
          Dst:             _ZN9OpenBabel9OBResidue9SetAtomIDEPNS_6OBAtomERKNSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEE
        - Src:             'src/mol.cpp:1305,47'
          Dst:             _ZNK9OpenBabel9OBResidue9IsHetAtomEPNS_6OBAtomE
        - Src:             'src/mol.cpp:1305,22'
          Dst:             _ZN9OpenBabel9OBResidue10SetHetAtomEPNS_6OBAtomEb
        - Src:             'src/mol.cpp:1306,49'
          Dst:             _ZNK9OpenBabel9OBResidue12GetSerialNumEPNS_6OBAtomE
        - Src:             'src/mol.cpp:1306,22'
          Dst:             _ZN9OpenBabel9OBResidue12SetSerialNumEPNS_6OBAtomEj
        - Src:             'src/mol.cpp:1300,81'
          Dst:             _ZN9OpenBabel9OBResidue8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:1312,13'
          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
        - Src:             'src/mol.cpp:1317,24'
          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
        - Src:             'src/mol.cpp:1318,33'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/mol.cpp:1319,26'
          Dst:             _ZN9OpenBabel5OBMol12GetConformerEi
        - Src:             'src/mol.cpp:1319,66'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/mol.cpp:1322,17'
          Dst:             _ZN9OpenBabel5OBMol12GetConformerEi
        - Src:             'src/mol.cpp:1317,24'
          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
        - Src:             'src/mol.cpp:1327,7'
          Dst:             _ZN9OpenBabel5OBMol13SetConformersERNSt3__16vectorIPdNS1_9allocatorIS3_EEEE
        - Src:             'src/mol.cpp:1337,17'
          Dst:             _ZN9OpenBabel6OBBase9BeginDataEv
        - Src:             'src/mol.cpp:1337,38'
          Dst:             _ZN9OpenBabel6OBBase7EndDataEv
        - Src:             'src/mol.cpp:1340,9'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/mol.cpp:1337,38'
          Dst:             _ZN9OpenBabel6OBBase7EndDataEv
        - Src:             'src/mol.cpp:1343,13'
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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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:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
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          Dst:             _ZNK9OpenBabel6OBAtom19LewisAcidBaseCountsEv
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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_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:             _ZN9OpenBabel8OBBitVec6ResizeEj
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
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          Dst:             _ZN9OpenBabel8OBBitVec6ResizeEj
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          Dst:             _ZNK9OpenBabel8OBBitVec9CountBitsEv
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
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          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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      Callsites:
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      functionUses:    10
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      argTypes:
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      argNames:
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      linkageType:     externalLinkage
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      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
        - _ZNK9OpenBabel6OBRing8PathSizeEv
        - _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:3200,16'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/mol.cpp:3204,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/mol.cpp:3204,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/mol.cpp:3212,17'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3214,23'
          Dst:             _ZN9OpenBabel6OBAtom16AverageBondAngleEv
        - Src:             'src/mol.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom6SetHybEi
        - Src:             'src/mol.cpp:3224,19'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3225,22'
          Dst:             _ZNK9OpenBabel6OBAtom21ExplicitHydrogenCountEb
        - Src:             'src/mol.cpp:3226,22'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3229,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3230,22'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3231,22'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/mol.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom6SetHybEi
        - Src:             'src/mol.cpp:3212,42'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3236,5'
          Dst:             _ZN9OpenBabel5OBMol25SetHybridizationPerceivedEb
        - Src:             'src/mol.cpp:3247,10'
          Dst:             _ZN9OpenBabel5OBMol16HasSSSRPerceivedEv
        - Src:             'src/mol.cpp:3248,7'
          Dst:             _ZN9OpenBabel5OBMol8FindSSSREv
        - Src:             'src/mol.cpp:3249,13'
          Dst:             _ZN9OpenBabel5OBMol7GetSSSREv
        - Src:             'src/mol.cpp:3252,24'
          Dst:             _ZNK9OpenBabel6OBRing8PathSizeEv
        - Src:             'src/mol.cpp:3256,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3257,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3258,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3259,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3260,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3265,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/mol.cpp:3269,28'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3270,26'
          Dst:             _ZN9OpenBabel6OBAtom6SetHybEi
        - Src:             'src/mol.cpp:3274,29'
          Dst:             _ZNK9OpenBabel6OBRing8PathSizeEv
        - Src:             'src/mol.cpp:3278,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3279,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3280,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3281,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3282,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3283,22'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEiiii
        - Src:             'src/mol.cpp:3288,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/mol.cpp:3289,28'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3289,59'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3290,26'
          Dst:             _ZN9OpenBabel6OBAtom6SetHybEi
        - Src:             'src/mol.cpp:3301,17'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3303,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:3303,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:3306,28'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:3308,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:3308,43'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3306,58'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:3314,35'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:3316,40'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom6SetHybEi
        - Src:             'src/mol.cpp:3301,42'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3325,5'
          Dst:             _ZTWN9OpenBabel9bondtyperE
        - Src:             'src/mol.cpp:3325,15'
          Dst:             _ZN9OpenBabel11OBBondTyper26AssignFunctionalGroupBondsERNS_5OBMolE
        - Src:             'src/mol.cpp:3343,31'
          Dst:             _ZNK9OpenBabel6OBRing8PathSizeEv
        - Src:             'src/mol.cpp:3349,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/mol.cpp:3350,26'
          Dst:             _ZN9OpenBabel6OBAtom14HasBondOfOrderEj
        - Src:             'src/mol.cpp:3350,53'
          Dst:             _ZN9OpenBabel6OBAtom14HasBondOfOrderEj
        - Src:             'src/mol.cpp:3351,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:3362,20'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/mol.cpp:3362,69'
          Dst:             _ZN9OpenBabel6OBBond11SetAromaticEb
        - Src:             'src/mol.cpp:3370,13'
          Dst:             _ZN9OpenBabel5OBMol20SetAromaticPerceivedEb
        - Src:             'src/mol.cpp:3373,7'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsEPKNS_5OBMolE
        - Src:             'src/mol.cpp:3373,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/mol.cpp:3373,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/mol.cpp:3379,17'
          Dst:             _ZN9OpenBabel10OBKekulizeEPNS_5OBMolE
        - Src:             'src/mol.cpp:3374,19'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/mol.cpp:3375,17'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/mol.cpp:3375,33'
          Dst:             _ZN9OpenBabel6OBAtom11SetAromaticEb
        - Src:             'src/mol.cpp:3376,17'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/mol.cpp:3376,31'
          Dst:             _ZN9OpenBabel6OBAtom11SetAromaticEb
        - Src:             'src/mol.cpp:3387,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/mol.cpp:3390,13'
          Dst:             _ZN9OpenBabel5OBMol20SetAromaticPerceivedEb
        - Src:             'src/mol.cpp:3410,17'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3415,24'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:3417,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3418,70'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/mol.cpp:3418,83'
          Dst:             _ZNK9OpenBabel6OBBond9GetLengthEv
        - Src:             'src/mol.cpp:3415,54'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:3421,68'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3421,36'
          Dst:             _ZN9OpenBabel10OBElements13GetElectroNegEj
        - Src:             'src/mol.cpp:3410,46'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3436,21'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:3436,44'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3437,23'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/mol.cpp:3437,108'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3437,78'
          Dst:             _ZN9OpenBabel10OBElements11GetMaxBondsEj
        - Src:             'src/mol.cpp:3444,23'
          Dst:             _ZN9OpenBabel6OBAtom16HasNonSingleBondEv
        - Src:             'src/mol.cpp:3445,24'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3445,53'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/mol.cpp:3451,28'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:3453,61'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3453,32'
          Dst:             _ZN9OpenBabel10OBElements13GetElectroNegEj
        - Src:             'src/mol.cpp:3454,26'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/mol.cpp:3454,46'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3455,28'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/mol.cpp:3455,109'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3455,82'
          Dst:             _ZN9OpenBabel10OBElements11GetMaxBondsEj
        - Src:             'src/mol.cpp:3457,27'
          Dst:             _ZN9OpenBabel8IsApproxERKdS1_d
        - Src:             'src/mol.cpp:3458,37'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/mol.cpp:3458,50'
          Dst:             _ZNK9OpenBabel6OBBond9GetLengthEv
        - Src:             'src/mol.cpp:3460,28'
          Dst:             _ZN9OpenBabel6OBAtom16HasNonSingleBondEv
        - Src:             'src/mol.cpp:3461,29'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3461,55'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/mol.cpp:3465,41'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/mol.cpp:3465,54'
          Dst:             _ZNK9OpenBabel6OBBond9GetLengthEv
        - Src:             'src/mol.cpp:3466,31'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/mol.cpp:3466,62'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
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          Dst:             _ZN9OpenBabel6OBBond20IsDoubleBondGeometryEv
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          Dst:             _ZN9OpenBabel8IsApproxERKdS1_d
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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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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3099,22'
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        - Src:             'src/mol.cpp:3099,101'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3099,71'
          Dst:             _ZN9OpenBabel10OBElements11GetMaxBondsEj
        - Src:             'src/mol.cpp:3100,25'
          Dst:             _ZN9OpenBabel6OBAtom17SmallestBondAngleEv
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          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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        - Src:             'src/mol.cpp:3109,47'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:3110,28'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:3129,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3135,31'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/mol.cpp:3135,49'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/mol.cpp:3133,41'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:3154,34'
          Dst:             _ZNK9OpenBabel6OBBond9GetLengthEv
        - Src:             'src/mol.cpp:3155,31'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:3157,27'
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          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
        - Src:             'src/mol.cpp:3097,42'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3176,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3177,17'
          Dst:             _ZN9OpenBabel6OBAtom13ClearCoordPtrEv
        - Src:             'src/mol.cpp:3176,46'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:3184,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/mol.cpp:3184,3'
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        - Src:             'src/mol.cpp:3184,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/mol.cpp:3184,3'
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        - Src:             'src/mol.cpp:3184,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/mol.cpp:3184,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel6OBBond6SetIdxEi
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
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          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
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          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:2346,39'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:2346,13'
          Dst:             _ZN9OpenBabel5OBMol7AddBondEiiiii
        - Src:             'src/mol.cpp:2347,16'
          Dst:             _ZN9OpenBabel6OBAtom11SetCoordPtrEPPd
        - Src:             'src/mol.cpp:2348,57'
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          Dst:             _ZN9OpenBabel5OBMol12DecrementModEv
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      BBCount:         54
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      EdgeCount:       96
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      functionsReached:
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        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
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        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/mol.cpp:612,14'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:612,19'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
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          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
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          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/mol.cpp:620,17'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:625,14'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/mol.cpp:626,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:626,14'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/mol.cpp:628,22'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/mol.cpp:630,18'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/mol.cpp:631,31'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/mol.cpp:631,57'
          Dst:             _ZNK9OpenBabel8OBBitVec6EndBitEv
        - Src:             'src/mol.cpp:633,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/mol.cpp:634,36'
          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZN9OpenBabel6OBBond13GetNbrAtomIdxEPNS_6OBAtomE
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/mol.cpp:636,31'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
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        - Src:             'src/mol.cpp:637,43'
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          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/mol.cpp:647,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:634,68'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
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          Dst:             _ZN9OpenBabel8OBBitVecoRERKS0_
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          Dst:             _ZN9OpenBabel8OBBitVecaSERKS0_
        - Src:             'src/mol.cpp:644,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:620,42'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:647,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:647,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:647,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:647,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:647,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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      returnType:      void
      argCount:        4
      argTypes:
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      constantsTouched: []
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      BBCount:         42
      ICount:          170
      EdgeCount:       70
      CyclomaticComplexity: 30
      functionsReached:
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        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel8OBBitVec5ClearEv
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        - _ZN9OpenBabel8OBBitVecaSERKS0_
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        - _ZNK9OpenBabel8OBBitVec6EndBitEv
        - _ZNK9OpenBabel8OBBitVec7IsEmptyEv
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      functionUses:    0
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:526,19'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:526,24'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:528,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZN9OpenBabel8OBBitVecoREi
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZN9OpenBabel8OBBitVecoREi
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZN9OpenBabel8OBBitVecoREi
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          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/mol.cpp:540,23'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
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          Dst:             _ZNK9OpenBabel8OBBitVec6EndBitEv
        - Src:             'src/mol.cpp:542,20'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/mol.cpp:543,30'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:544,30'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:544,20'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/mol.cpp:547,32'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:547,24'
          Dst:             _ZN9OpenBabel8OBBitVecoREi
        - Src:             'src/mol.cpp:548,32'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:548,24'
          Dst:             _ZN9OpenBabel8OBBitVecoREi
        - Src:             'src/mol.cpp:543,62'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:540,63'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/mol.cpp:551,18'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/mol.cpp:553,14'
          Dst:             _ZN9OpenBabel8OBBitVecaSERKS0_
        - Src:             'src/mol.cpp:555,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:555,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:555,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:555,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:555,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:555,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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      returnType:      void
      argCount:        2
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         72
      ICount:          262
      EdgeCount:       126
      CyclomaticComplexity: 56
      functionsReached:
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        - _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:
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          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:484,19'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:484,24'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:484,29'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/mol.cpp:486,8'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/mol.cpp:487,27'
          Dst:             _ZNK9OpenBabel8OBBitVec9CountBitsEv
        - Src:             'src/mol.cpp:487,41'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/mol.cpp:489,14'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/mol.cpp:490,14'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/mol.cpp:491,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:492,36'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:492,21'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/mol.cpp:494,35'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/mol.cpp:494,20'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/mol.cpp:519,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/mol.cpp:491,46'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/mol.cpp:498,14'
          Dst:             _ZN9OpenBabel8OBBitVecoRERKS0_
        - Src:             'src/mol.cpp:499,22'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/mol.cpp:501,18'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/mol.cpp:502,27'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/mol.cpp:502,49'
          Dst:             _ZNK9OpenBabel8OBBitVec6EndBitEv
        - Src:             'src/mol.cpp:504,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/mol.cpp:505,35'
          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/mol.cpp:506,44'
          Dst:             _ZN9OpenBabel6OBBond13GetNbrAtomIdxEPNS_6OBAtomE
        - Src:             'src/mol.cpp:506,29'
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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        - Src:             'src/ring.cpp:731,14'
          Dst:             _ZN9OpenBabel8OBBitVecaSERKS0_
        - Src:             'src/ring.cpp:737,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/ring.cpp:737,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/ring.cpp:737,3'
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      BBCount:         73
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      EdgeCount:       135
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      functionsReached:
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        - _ZN9OpenBabel10OBRingDataC2Ev
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      Callsites:
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        - Src:             'src/ring.cpp:259,9'
          Dst:             _ZN9OpenBabel5OBMol21FindRingAtomsAndBondsEv
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          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/ring.cpp:267,21'
          Dst:             _ZN9OpenBabel6OBBond9IsClosureEv
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          Dst:             _ZN9OpenBabel12OBRingSearch18AddRingFromClosureERNS_5OBMolEPNS_6OBBondE
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          Dst:             _ZN9OpenBabel12OBRingSearch9SortRingsEv
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          Dst:             _ZN9OpenBabel12OBRingSearch10BeginRingsEv
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          Dst:             _ZN9OpenBabel12OBRingSearch8EndRingsEv
        - Src:             'src/ring.cpp:286,48'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/ring.cpp:286,28'
          Dst:             _ZN9OpenBabel6OBRingC2ERNSt3__16vectorIiNS1_9allocatorIiEEEEi
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          Dst:             _ZN9OpenBabel12OBRingSearch8EndRingsEv
        - Src:             'src/ring.cpp:291,11'
          Dst:             _ZN9OpenBabel12OBRingSearchD2Ev
        - Src:             'src/ring.cpp:291,11'
          Dst:             _ZN9OpenBabel12OBRingSearchD2Ev
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          Dst:             _ZN9OpenBabel10OBRingDataC2Ev
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      EdgeCount:       19
      CyclomaticComplexity: 6
      functionsReached:
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        - _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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        - _ZN9OpenBabel6OBBond9IsClosureEv
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      Callsites:
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          Dst:             _ZN9OpenBabel5OBMol24HasClosureBondsPerceivedEv
        - Src:             'src/ring.cpp:306,19'
          Dst:             _ZN9OpenBabelL22FindRingAtomsAndBonds2ERNS_5OBMolE
        - Src:             'src/ring.cpp:311,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZN9OpenBabel6OBBond9IsClosureEv
        - Src:             'src/ring.cpp:311,50'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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      functionsReached:
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        - _ZN9OpenBabel7OBRTreeD2Ev
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        - _ZN9OpenBabel8OBBitVecC2Ev
        - _ZN9OpenBabel8OBBitVecD2Ev
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        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/ring.cpp:381,29'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/ring.cpp:382,14'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/ring.cpp:382,18'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/ring.cpp:384,25'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/ring.cpp:384,9'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/ring.cpp:385,25'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/ring.cpp:385,9'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/ring.cpp:386,31'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/ring.cpp:386,5'
          Dst:             _ZN9OpenBabelL18BuildOBRTreeVectorEPNS_6OBAtomEPNS_7OBRTreeERNSt3__16vectorIS3_NS4_9allocatorIS3_EEEERNS_8OBBitVecE
        - Src:             'src/ring.cpp:387,31'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/ring.cpp:387,5'
          Dst:             _ZN9OpenBabelL18BuildOBRTreeVectorEPNS_6OBAtomEPNS_7OBRTreeERNSt3__16vectorIS3_NS4_9allocatorIS3_EEEERNS_8OBBitVecE
        - Src:             'src/ring.cpp:399,17'
          Dst:             _ZN9OpenBabel7OBRTree10PathToRootERNSt3__16vectorIPNS_6OBAtomENS1_9allocatorIS4_EEEE
        - Src:             'src/ring.cpp:401,24'
          Dst:             _ZN9OpenBabel7OBRTree10GetAtomIdxEv
        - Src:             'src/ring.cpp:405,24'
          Dst:             _ZN9OpenBabel7OBRTree10GetAtomIdxEv
        - Src:             'src/ring.cpp:405,39'
          Dst:             _ZN9OpenBabel7OBRTree10PathToRootERNSt3__16vectorIPNS_6OBAtomENS1_9allocatorIS4_EEEE
        - Src:             'src/ring.cpp:410,36'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/ring.cpp:413,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/ring.cpp:417,43'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/ring.cpp:422,29'
          Dst:             _ZN9OpenBabel12OBRingSearch14SaveUniqueRingERNSt3__15dequeIiNS1_9allocatorIiEEEES6_
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:936,22'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/rotor.cpp:937,22'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/rotor.cpp:938,21'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:946,26'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:947,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:946,52'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:954,29'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEPNS_6OBAtomES2_S2_S2_
        - Src:             'src/rotor.cpp:955,29'
          Dst:             _ZN9OpenBabel5OBMol10GetTorsionEPNS_6OBAtomES2_S2_S2_
        - Src:             'src/rotor.cpp:974,27'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:976,27'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:991,29'
          Dst:             _ZN9OpenBabel11OBRotorRule15GetSmartsStringEv
        - Src:             'src/rotor.cpp:989,13'
          Dst:             snprintf
        - Src:             'src/rotor.cpp:992,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/rotor.cpp:999,16'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/rotor.cpp:1000,16'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/rotor.cpp:1003,19'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:1004,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:1003,47'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:1006,19'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:1007,15'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:1006,47'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:1010,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:1011,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:1012,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:1013,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:1015,13'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/rotor.cpp:1015,34'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/rotor.cpp:1022,13'
          Dst:             snprintf
        - Src:             'src/rotor.cpp:1024,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/rotor.cpp:1028,15'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/rotor.cpp:1028,36'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/rotor.cpp:1035,15'
          Dst:             snprintf
        - Src:             'src/rotor.cpp:1037,26'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/rotor.cpp:1047,15'
          Dst:             snprintf
        - Src:             'src/rotor.cpp:1049,26'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
    - functionName:    _ZN9OpenBabel7OBRotor12SetEvalAtomsERNS_8OBBitVecE
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
      functionLinenumber: 444
      functionLinenumberEnd: 444
      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:444,50'
          Dst:             _ZN9OpenBabel8OBBitVecaSERKS0_
    - functionName:    _ZN9OpenBabel7OBRotor22RemoveSymTorsionValuesEi
      functionSourceFile: '/src/openbabel/src/rotor.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 748
      functionLinenumberEnd: 761
      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: 341
      functionLinenumberEnd: 342
      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:    _ZN9OpenBabel7OBRotor12SetNumCoordsEi
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
      functionLinenumber: 453
      functionLinenumberEnd: 453
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         1
      ICount:          4
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    1
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel7OBRotor6SetIdxEi
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
      functionLinenumber: 178
      functionLinenumberEnd: 180
      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: 165
      functionLinenumberEnd: 168
      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:167,7'
          Dst:             _ZN9OpenBabel7OBRotor8SetRingsEv
    - functionName:    _ZN9OpenBabelL12CompareRotorERKNSt3__14pairIPNS_6OBBondEiEES6_
      functionSourceFile: '/src/openbabel/src/rotor.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 483
      functionLinenumberEnd: 485
      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:     externalLinkage
      functionLinenumber: 146
      functionLinenumberEnd: 187
      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:147,21'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/rotor.cpp:147,46'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/rotor.cpp:151,22'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/rotor.cpp:152,41'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/rotor.cpp:152,26'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/rotor.cpp:155,21'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/rotor.cpp:162,16'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/rotor.cpp:163,16'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/rotor.cpp:164,26'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:164,10'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/rotor.cpp:164,56'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:164,40'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/rotor.cpp:168,19'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:169,39'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:169,23'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/rotor.cpp:168,47'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:179,19'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:180,39'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:180,23'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/rotor.cpp:179,47'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
    - functionName:    _ZN9OpenBabel11OBRotorList13HasFixedBondsEv
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
      functionLinenumber: 513
      functionLinenumberEnd: 514
      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:514,27'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
    - functionName:    _ZN9OpenBabel11OBRotorList13HasFixedAtomsEv
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
      functionLinenumber: 645
      functionLinenumberEnd: 646
      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:646,27'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
    - functionName:    _ZN9OpenBabel11OBRotorList13RemoveSymValsERNS_5OBMolE
      functionSourceFile: '/src/openbabel/src/rotor.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 242
      functionLinenumberEnd: 288
      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:243,16'
          Dst:             _ZN9OpenBabel10OBGraphSymC2EPNS_5OBMolEPKNS_8OBBitVecE
        - Src:             'src/rotor.cpp:245,8'
          Dst:             _ZN9OpenBabel10OBGraphSym11GetSymmetryERNSt3__16vectorIjNS1_9allocatorIjEEEE
        - Src:             'src/rotor.cpp:250,18'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/rotor.cpp:251,29'
          Dst:             _ZN9OpenBabel7OBRotor7GetBondEv
        - Src:             'src/rotor.cpp:252,27'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/rotor.cpp:253,29'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/rotor.cpp:266,26'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:266,60'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/rotor.cpp:266,90'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/rotor.cpp:270,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/rotor.cpp:266,26'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:266,60'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/rotor.cpp:266,90'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/rotor.cpp:270,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/rotor.cpp:266,26'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:266,60'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/rotor.cpp:266,90'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/rotor.cpp:270,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/rotor.cpp:266,26'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/rotor.cpp:266,60'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/rotor.cpp:266,90'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/rotor.cpp:270,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/rotor.cpp:268,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/rotor.cpp:279,34'
          Dst:             _ZN9OpenBabel7OBRotor4SizeEv
        - Src:             'src/rotor.cpp:280,16'
          Dst:             _ZN9OpenBabel7OBRotor22RemoveSymTorsionValuesEi
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:283,53'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:284,70'
          Dst:             _ZN9OpenBabel7OBRotor4SizeEv
        - Src:             'src/rotor.cpp:250,46'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/rotor.cpp:288,3'
          Dst:             _ZN9OpenBabel10OBGraphSymD2Ev
        - Src:             'src/rotor.cpp:288,3'
          Dst:             _ZN9OpenBabel10OBGraphSymD2Ev
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      functionLinenumberEnd: 350
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      returnType:      size_t
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      argTypes:
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      ICount:          13
      EdgeCount:       3
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      constantsTouched: []
      argNames:
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      BBCount:         27
      ICount:          167
      EdgeCount:       52
      CyclomaticComplexity: 27
      functionsReached:
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        - _ZN9OpenBabel5OBMol12FindChildrenERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - _ZN9OpenBabel7OBRotor11SetRotAtomsERNSt3__16vectorIiNS1_9allocatorIiEEEE
        - _ZN9OpenBabel7OBRotor16SetDihedralAtomsEPi
        - _ZN9OpenBabel7OBRotor16SetTorsionValuesERNSt3__16vectorIdNS1_9allocatorIdEEEE
        - _ZN9OpenBabel7OBRotor7GetBondEv
        - _ZN9OpenBabel7OBRotor8SetDeltaEd
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/rotor.cpp:347,29'
          Dst:             _ZN9OpenBabel7OBRotor7GetBondEv
        - Src:             'src/rotor.cpp:353,11'
          Dst:             _ZN9OpenBabel12OBRotorRules18GetRotorIncrementsERNS_5OBMolEPNS_6OBBondEPiRNSt3__16vectorIdNS6_9allocatorIdEEEERd
        - Src:             'src/rotor.cpp:354,14'
          Dst:             _ZN9OpenBabel7OBRotor16SetTorsionValuesERNSt3__16vectorIdNS1_9allocatorIdEEEE
        - Src:             'src/rotor.cpp:355,14'
          Dst:             _ZN9OpenBabel7OBRotor8SetDeltaEd
        - Src:             'src/rotor.cpp:364,11'
          Dst:             _ZN9OpenBabel5OBMol12FindChildrenERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - Src:             'src/rotor.cpp:365,34'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/rotor.cpp:368,13'
          Dst:             _ZN9OpenBabel5OBMol12FindChildrenERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - Src:             'src/rotor.cpp:378,14'
          Dst:             _ZN9OpenBabel7OBRotor11SetRotAtomsERNSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/rotor.cpp:379,14'
          Dst:             _ZN9OpenBabel7OBRotor16SetDihedralAtomsEPi
    - functionName:    _ZN9OpenBabel11OBRotorList12SetEvalAtomsERNS_5OBMolE
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      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         81
      ICount:          296
      EdgeCount:       140
      CyclomaticComplexity: 61
      functionsReached:
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        - _ZN9OpenBabel11OBRotorList11IsFixedBondEPNS_6OBBondE
        - _ZN9OpenBabel11OBRotorList13HasFixedAtomsEv
        - _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:297,19'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/rotor.cpp:297,24'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/rotor.cpp:300,18'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/rotor.cpp:302,23'
          Dst:             _ZN9OpenBabel7OBRotor7GetBondEv
        - Src:             'src/rotor.cpp:303,14'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/rotor.cpp:304,14'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/rotor.cpp:305,29'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/rotor.cpp:305,14'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/rotor.cpp:306,29'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/rotor.cpp:306,14'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/rotor.cpp:307,14'
          Dst:             _ZN9OpenBabel8OBBitVecoRERKS0_
        - Src:             'src/rotor.cpp:310,21'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/rotor.cpp:312,18'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/rotor.cpp:313,27'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/rotor.cpp:313,48'
          Dst:             _ZNK9OpenBabel8OBBitVec6EndBitEv
        - Src:             'src/rotor.cpp:315,26'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/rotor.cpp:316,31'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:317,33'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:317,24'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/rotor.cpp:318,41'
          Dst:             _ZN9OpenBabel6OBBond7IsRotorEb
        - Src:             'src/rotor.cpp:318,65'
          Dst:             _ZN9OpenBabel11OBRotorList13HasFixedAtomsEv
        - Src:             'src/rotor.cpp:318,82'
          Dst:             _ZN9OpenBabel11OBRotorList13HasFixedBondsEv
        - Src:             'src/rotor.cpp:318,100'
          Dst:             _ZN9OpenBabel11OBRotorList11IsFixedBondEPNS_6OBBondE
        - Src:             'src/rotor.cpp:320,43'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:320,30'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/rotor.cpp:321,43'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:321,30'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/rotor.cpp:340,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/rotor.cpp:316,59'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:313,66'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/rotor.cpp:324,18'
          Dst:             _ZN9OpenBabel8OBBitVecaSERKS0_
        - Src:             'src/rotor.cpp:328,14'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/rotor.cpp:329,23'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/rotor.cpp:329,44'
          Dst:             _ZNK9OpenBabel8OBBitVec6EndBitEv
        - Src:             'src/rotor.cpp:331,22'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/rotor.cpp:332,27'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:333,33'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/rotor.cpp:333,20'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/rotor.cpp:332,55'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/rotor.cpp:329,62'
          Dst:             _ZNK9OpenBabel8OBBitVec7NextBitEi
        - Src:             'src/rotor.cpp:335,14'
          Dst:             _ZN9OpenBabel8OBBitVecoRERKS0_
        - Src:             'src/rotor.cpp:336,16'
          Dst:             _ZN9OpenBabel7OBRotor12SetEvalAtomsERNS_8OBBitVecE
        - Src:             'src/rotor.cpp:300,46'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/rotor.cpp:340,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/rotor.cpp:340,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/rotor.cpp:340,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/rotor.cpp:340,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/rotor.cpp:340,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel11OBRotorList10FindRotorsERNS_5OBMolEb
      functionSourceFile: '/src/openbabel/src/rotor.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 89
      functionLinenumberEnd: 143
      functionDepth:   0
      returnType:      bool
      argCount:        3
      argTypes:
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        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         61
      ICount:          273
      EdgeCount:       111
      CyclomaticComplexity: 52
      functionsReached:
        - _ZN9OpenBabel11OBRotorList11IsFixedBondEPNS_6OBBondE
        - _ZN9OpenBabel11OBRotorList13HasFixedAtomsEv
        - _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
        - _ZN9OpenBabel7OBRotor12SetNumCoordsEi
        - _ZN9OpenBabel7OBRotor6SetIdxEi
        - _ZN9OpenBabel7OBRotor7SetBondEPNS_6OBBondE
        - _ZN9OpenBabel7OBRotorC2Ev
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - _ZNK9OpenBabel6OBBond8IsInRingEv
      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:114,14'
          Dst:             _ZN9OpenBabel11OBRotorList13HasFixedAtomsEv
        - Src:             'src/rotor.cpp:114,33'
          Dst:             _ZN9OpenBabel11OBRotorList13HasFixedBondsEv
        - Src:             'src/rotor.cpp:114,53'
          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
        - Src:             'src/rotor.cpp:138,31'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/rotor.cpp:138,14'
          Dst:             _ZN9OpenBabel7OBRotor12SetNumCoordsEi
    - functionName:    _ZN9OpenBabel11OBRotorList5ClearEv
      functionSourceFile: '/src/openbabel/src/rotor.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 473
      functionLinenumberEnd: 480
      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:476,7'
          Dst:             _ZN9OpenBabel7OBRotorD2Ev
    - functionName:    _ZN9OpenBabel11OBRotorList5SetupERNS_5OBMolEb
      functionSourceFile: '/src/openbabel/src/rotor.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 57
      functionLinenumberEnd: 86
      functionDepth:   0
      returnType:      bool
      argCount:        3
      argTypes:
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        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      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_
      functionSourceFile: '/src/openbabel/src/tokenst.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 193
      functionLinenumberEnd: 236
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
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          Dst:             _ZN9OpenBabel23OBAromaticTyperMolState13TraverseCycleEPNS_6OBAtomES2_PNS_6OBBondERNSt3__14pairIiiEEi
        - Src:             'src/typer.cpp:726,31'
          Dst:             _ZN9OpenBabel6OBBond11SetAromaticEb
        - Src:             'src/typer.cpp:720,54'
          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
    - functionName:    _ZN9OpenBabel23OBAromaticTyperMolStateD2Ev
      functionSourceFile: '/src/openbabel/src/typer.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 580
      functionLinenumberEnd: 580
      functionDepth:   0
      returnType:      void
      argCount:        1
      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
      functionSourceFile: '/src/openbabel/src/typer.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 584
      functionLinenumberEnd: 589
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
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        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         8
      ICount:          57
      EdgeCount:       11
      CyclomaticComplexity: 5
      functionsReached:
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
      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: 578
      functionLinenumberEnd: 578
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
        - ''
      BBCount:         3
      ICount:          12
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
        - _ZN9OpenBabel5OBMol7HasFlagEi
      functionUses:    4
      BranchProfiles:  []
      Callsites:
        - Src:             'include/openbabel/mol.h:578,46'
          Dst:             _ZN9OpenBabel5OBMol7HasFlagEi
    - functionName:    _ZN9OpenBabel23OBAromaticTyperMolState16CheckAromaticityEPNS_6OBAtomEi
      functionSourceFile: '/src/openbabel/src/typer.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 741
      functionLinenumberEnd: 757
      functionDepth:   0
      returnType:      void
      argCount:        3
      argTypes:
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        - 'N/A'
        - int
      constantsTouched: []
      argNames:
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        - ''
        - ''
      BBCount:         14
      ICount:          69
      EdgeCount:       18
      CyclomaticComplexity: 6
      functionsReached:
        - _ZN9OpenBabel23OBAromaticTyperMolState13TraverseCycleEPNS_6OBAtomES2_PNS_6OBBondERNSt3__14pairIiiEEi
        - _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:     externalLinkage
      functionLinenumber: 975
      functionLinenumberEnd: 988
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      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:980,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/typer.cpp:981,23'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:982,27'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:983,21'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/typer.cpp:983,46'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:984,31'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:985,41'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/typer.cpp:985,66'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:986,27'
          Dst:             _ZN9OpenBabel6OBAtom11IsConnectedEPS0_
        - Src:             'src/typer.cpp:987,31'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:984,65'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:982,61'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:980,50'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
    - functionName:    _ZN9OpenBabel23OBAromaticTyperMolState15SelectRootAtomsEb
      functionSourceFile: '/src/openbabel/src/typer.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 797
      functionLinenumberEnd: 972
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - 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:803,36'
          Dst:             _ZN9OpenBabel5OBMol7GetSSSREv
        - Src:             'src/typer.cpp:817,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:819,19'
          Dst:             _ZN9OpenBabel6OBBond9IsClosureEv
        - Src:             'src/typer.cpp:824,46'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/typer.cpp:817,50'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:819,19'
          Dst:             _ZN9OpenBabel6OBBond9IsClosureEv
        - Src:             'src/typer.cpp:817,50'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:832,30'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/typer.cpp:852,26'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/typer.cpp:859,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/typer.cpp:862,30'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:867,26'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/typer.cpp:870,30'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/typer.cpp:862,62'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:936,50'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/typer.cpp:936,68'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:939,47'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/typer.cpp:943,51'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/typer.cpp:937,55'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/typer.cpp:937,73'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:951,74'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/typer.cpp:951,91'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:951,60'
          Dst:             _ZN9OpenBabel6OBRing8IsInRingEi
        - Src:             'src/typer.cpp:895,38'
          Dst:             _ZN9OpenBabel6OBRing8IsInRingEi
        - Src:             'src/typer.cpp:852,26'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
    - functionName:    _ZN9OpenBabel23OBAromaticTyperMolState26PropagatePotentialAromaticEPNS_6OBAtomE
      functionSourceFile: '/src/openbabel/src/typer.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 760
      functionLinenumberEnd: 777
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         29
      ICount:          148
      EdgeCount:       39
      CyclomaticComplexity: 12
      functionsReached:
        - _ZN9OpenBabel23OBAromaticTyperMolState26PropagatePotentialAromaticEPNS_6OBAtomE
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond8IsInRingEv
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/typer.cpp:765,22'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:766,17'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/typer.cpp:766,41'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:765,54'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:771,20'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:773,28'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/typer.cpp:774,23'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/typer.cpp:774,47'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/typer.cpp:775,15'
          Dst:             _ZN9OpenBabel23OBAromaticTyperMolState26PropagatePotentialAromaticEPNS_6OBAtomE
        - Src:             'src/typer.cpp:773,60'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
    - 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:     externalLinkage
      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'
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          Dst:             atoi
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          Dst:             _ZN9OpenBabel10OBGraphSymD2Ev
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        - Src:             'src/formats/smilesformat.cpp:3897,37'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/smilesformat.cpp:3907,21'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
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          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/smilesformat.cpp:3908,40'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/smilesformat.cpp:3908,54'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
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        - Src:             'src/formats/smilesformat.cpp:3924,22'
          Dst:             _ZN9OpenBabel16OBReactionFacadeC2EPNS_5OBMolE
        - Src:             'src/formats/smilesformat.cpp:3927,19'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/smilesformat.cpp:3938,34'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3938,14'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/formats/smilesformat.cpp:3939,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3939,23'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/formats/smilesformat.cpp:3940,27'
          Dst:             _ZN9OpenBabel16OBReactionFacade7GetRoleEPNS_6OBAtomE
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        - _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - _ZN9OpenBabelL15NeedsBondSymbolEPNS_6OBBondE
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel6OBBond6GetIdxEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - _ZNK9OpenBabel8OBBitVecixEi
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/smilesformat.cpp:3106,18'
          Dst:             _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
        - Src:             'src/formats/smilesformat.cpp:3123,22'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/smilesformat.cpp:3125,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3130,11'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/formats/smilesformat.cpp:3130,39'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/formats/smilesformat.cpp:3133,32'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/formats/smilesformat.cpp:3134,47'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:3135,31'
          Dst:             _ZN9OpenBabelL15NeedsBondSymbolEPNS_6OBBondE
        - Src:             'src/formats/smilesformat.cpp:3138,22'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/formats/smilesformat.cpp:3139,41'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:3140,36'
          Dst:             _ZN9OpenBabelL15NeedsBondSymbolEPNS_6OBBondE
        - Src:             'src/formats/smilesformat.cpp:3147,67'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3138,22'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/formats/smilesformat.cpp:3139,41'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:3140,36'
          Dst:             _ZN9OpenBabelL15NeedsBondSymbolEPNS_6OBBondE
        - Src:             'src/formats/smilesformat.cpp:3147,67'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3123,56'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/smilesformat.cpp:3157,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3157,13'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/formats/smilesformat.cpp:3159,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3159,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/formats/smilesformat.cpp:3169,7'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi14MyFindChildrenERNS_5OBMolERNSt3__16vectorIPNS_6OBAtomENS3_9allocatorIS6_EEEERNS_8OBBitVecES6_
        - Src:             'src/formats/smilesformat.cpp:3184,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3185,11'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/formats/smilesformat.cpp:3187,20'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/formats/smilesformat.cpp:3188,30'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3188,15'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/formats/smilesformat.cpp:3189,18'
          Dst:             _ZN9OpenBabel12OBCanSmiNodeC2EPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3190,13'
          Dst:             _ZN9OpenBabel12OBCanSmiNode9SetParentEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3191,13'
          Dst:             _ZN9OpenBabel12OBCanSmiNode12AddChildNodeEPS0_PNS_6OBBondE
        - Src:             'src/formats/smilesformat.cpp:3192,7'
          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:     externalLinkage
      functionLinenumber: 3397
      functionLinenumberEnd: 3581
      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:3500,13'
          Branch Sides:    []
        - Branch String:   'src/formats/smilesformat.cpp:3550,7'
          Branch Sides:    []
      Callsites:
        - Src:             'src/formats/smilesformat.cpp:3398,26'
          Dst:             _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
        - Src:             'src/formats/smilesformat.cpp:3404,46'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi21GetCanonClosureDigitsEPNS_6OBAtomERNS_8OBBitVecERNSt3__16vectorIjNS5_9allocatorIjEEEE
        - Src:             'src/formats/smilesformat.cpp:3414,22'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi12AtomIsChiralEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3419,17'
          Dst:             _ZN9OpenBabel12OBCanSmiNode9GetParentEv
        - Src:             'src/formats/smilesformat.cpp:3420,42'
          Dst:             _ZN9OpenBabel12OBCanSmiNode9GetParentEv
        - Src:             'src/formats/smilesformat.cpp:3437,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3437,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/formats/smilesformat.cpp:3437,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/formats/smilesformat.cpp:3437,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/formats/smilesformat.cpp:3437,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/formats/smilesformat.cpp:3439,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:3439,62'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi20IsSuppressedHydrogenEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3437,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/formats/smilesformat.cpp:3437,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/formats/smilesformat.cpp:3447,16'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/formats/smilesformat.cpp:3462,31'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3469,33'
          Dst:             _ZN9OpenBabel12OBCanSmiNode4SizeEv
        - Src:             'src/formats/smilesformat.cpp:3470,29'
          Dst:             _ZN9OpenBabel12OBCanSmiNode12GetChildAtomEi
        - Src:             'src/formats/smilesformat.cpp:3469,33'
          Dst:             _ZN9OpenBabel12OBCanSmiNode4SizeEv
        - Src:             'src/formats/smilesformat.cpp:3476,65'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:3476,43'
          Dst:             _ZN9OpenBabelL15CanHaveLonePairEj
        - Src:             'src/formats/smilesformat.cpp:3482,5'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi16GetSmilesElementEPNS_12OBCanSmiNodeERNSt3__16vectorIPNS_6OBAtomENS3_9allocatorIS6_EEEERNS4_IjNS7_IjEEEERNS3_12basic_stringIcNS3_11char_traitsIcEENS7_IcEEEE
        - Src:             'src/formats/smilesformat.cpp:3484,31'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3494,49'
          Dst:             _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
        - Src:             'src/formats/smilesformat.cpp:3494,15'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi16HasStereoDblBondEPNS_6OBBondEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3495,21'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi21GetCisTransBondSymbolEPNS_6OBBondEPNS_12OBCanSmiNodeE
        - Src:             'src/formats/smilesformat.cpp:3500,32'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:3503,31'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3503,58'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/formats/smilesformat.cpp:3503,83'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/formats/smilesformat.cpp:3503,99'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3503,126'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/formats/smilesformat.cpp:3503,140'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3507,52'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3521,72'
          Dst:             _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
        - Src:             'src/formats/smilesformat.cpp:3521,55'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3521,16'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi16HasStereoDblBondEPNS_6OBBondEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3522,21'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi21GetCisTransBondSymbolEPNS_6OBBondEPNS_12OBCanSmiNodeE
        - Src:             'src/formats/smilesformat.cpp:3531,11'
          Dst:             snprintf
        - Src:             'src/formats/smilesformat.cpp:3545,30'
          Dst:             _ZN9OpenBabel12OBCanSmiNode4SizeEv
        - Src:             'src/formats/smilesformat.cpp:3546,20'
          Dst:             _ZN9OpenBabel12OBCanSmiNode12GetChildBondEi
        - Src:             'src/formats/smilesformat.cpp:3547,23'
          Dst:             _ZN9OpenBabel12OBCanSmiNode4SizeEv
        - Src:             'src/formats/smilesformat.cpp:3547,39'
          Dst:             _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
        - Src:             'src/formats/smilesformat.cpp:3550,21'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:3553,17'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi21GetCisTransBondSymbolEPNS_6OBBondEPNS_12OBCanSmiNodeE
        - Src:             'src/formats/smilesformat.cpp:3562,22'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3562,44'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/formats/smilesformat.cpp:3562,64'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/formats/smilesformat.cpp:3562,80'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3562,102'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/formats/smilesformat.cpp:3562,116'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3567,41'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:3577,31'
          Dst:             _ZN9OpenBabel12OBCanSmiNode12GetChildNodeEi
        - Src:             'src/formats/smilesformat.cpp:3577,7'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi17ToCansmilesStringEPNS_12OBCanSmiNodeERNSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEERNS_8OBBitVecERNS3_6vectorIjNS7_IjEEEESG_
        - Src:             'src/formats/smilesformat.cpp:3578,23'
          Dst:             _ZN9OpenBabel12OBCanSmiNode4SizeEv
        - Src:             'src/formats/smilesformat.cpp:3578,39'
          Dst:             _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
        - Src:             'src/formats/smilesformat.cpp:3545,30'
          Dst:             _ZN9OpenBabel12OBCanSmiNode4SizeEv
    - functionName:    _ZN9OpenBabel12OBCanSmiNodeD2Ev
      functionSourceFile: '/src/openbabel/src/formats/smilesformat.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 2313
      functionLinenumberEnd: 2317
      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:2316,7'
          Dst:             _ZN9OpenBabel12OBCanSmiNodeD2Ev
    - functionName:    _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
      functionSourceFile: '/src/openbabel/src/formats/smilesformat.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 2272
      functionLinenumberEnd: 2273
      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:     externalLinkage
      functionLinenumber: 3238
      functionLinenumberEnd: 3312
      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:3251,24'
          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/smilesformat.cpp:3254,35'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3254,19'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/formats/smilesformat.cpp:3256,21'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3259,21'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:3259,63'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi20IsSuppressedHydrogenEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3260,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3260,29'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/formats/smilesformat.cpp:3263,45'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/smilesformat.cpp:3268,23'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:3269,47'
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          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
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        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
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        - _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
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        - _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:2702,7'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:2702,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/formats/smilesformat.cpp:2702,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/formats/smilesformat.cpp:2703,18'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:2703,87'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/smilesformat.cpp:2703,114'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/formats/smilesformat.cpp:2704,16'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/smilesformat.cpp:2704,75'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/smilesformat.cpp:2702,7'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/formats/smilesformat.cpp:2702,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/formats/smilesformat.cpp:2717,29'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/formats/smilesformat.cpp:2724,29'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/formats/smilesformat.cpp:2725,42'
          Dst:             _ZL13SmilesValencejjb
        - Src:             'src/formats/smilesformat.cpp:2729,62'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:2735,15'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/smilesformat.cpp:2736,37'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/smilesformat.cpp:2737,42'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/formats/smilesformat.cpp:2741,9'
          Dst:             _ZN9OpenBabel12OBMol2Cansmi16GetSmilesValenceEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:2742,16'
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          Dst:             _ZN9OpenBabel12OBMol2Cansmi21GetSquarePlanarStereoEPNS_12OBCanSmiNodeERNSt3__16vectorIPNS_6OBAtomENS3_9allocatorIS6_EEEERNS4_IjNS7_IjEEEE
        - Src:             'src/formats/smilesformat.cpp:2753,58'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:2753,30'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/smilesformat.cpp:2754,42'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:2755,20'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/smilesformat.cpp:2755,53'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/smilesformat.cpp:2769,73'
          Dst:             _ZN9OpenBabel6OBAtom9GetParentEv
        - Src:             'src/formats/smilesformat.cpp:2769,87'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/smilesformat.cpp:2788,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:2788,55'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:2790,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:2790,54'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:2792,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:2794,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/smilesformat.cpp:2797,15'
          Dst:             snprintf
        - Src:             'src/formats/smilesformat.cpp:2812,32'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/smilesformat.cpp:2815,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
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          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/smilesformat.cpp:2818,9'
          Dst:             snprintf
        - Src:             'src/formats/smilesformat.cpp:2822,16'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:2825,17'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:2828,35'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:2829,30'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/smilesformat.cpp:2832,11'
          Dst:             snprintf
        - Src:             'src/formats/smilesformat.cpp:2834,48'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:2845,56'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/formats/smilesformat.cpp:2857,11'
          Dst:             snprintf
        - Src:             'src/formats/smilesformat.cpp:2865,11'
          Dst:             snprintf
        - Src:             'src/formats/smilesformat.cpp:2872,24'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/smilesformat.cpp:2881,9'
          Dst:             snprintf
        - Src:             'src/formats/smilesformat.cpp:2888,35'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/smilesformat.cpp:2890,33'
          Dst:             __dynamic_cast
        - Src:             'src/formats/smilesformat.cpp:2896,13'
          Dst:             snprintf
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      functionsReached:
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        - _ZN9OpenBabel6OBAtom13HasDoubleBondEv
        - _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - _ZNK9OpenBabel6OBAtom5GetIdEv
      functionUses:    2
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:2517,15'
          Dst:             _ZN9OpenBabel6OBAtom13HasDoubleBondEv
        - Src:             'src/formats/smilesformat.cpp:2519,21'
          Dst:             _ZN9OpenBabel6OBAtom13HasDoubleBondEv
        - Src:             'src/formats/smilesformat.cpp:2523,56'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
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          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/formats/smilesformat.cpp:2524,59'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/formats/smilesformat.cpp:2529,9'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/smilesformat.cpp:2529,9'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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      functionsReached:
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        - _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:2551,26'
          Dst:             _ZN9OpenBabel12OBCanSmiNode7GetAtomEv
        - Src:             'src/formats/smilesformat.cpp:2552,30'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/smilesformat.cpp:2553,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetParentEv
        - Src:             'src/formats/smilesformat.cpp:2561,15'
          Dst:             _ZN9OpenBabel6OBAtom13HasDoubleBondEv
        - Src:             'src/formats/smilesformat.cpp:2563,21'
          Dst:             _ZN9OpenBabel6OBAtom13HasDoubleBondEv
        - Src:             'src/formats/smilesformat.cpp:2568,56'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - Src:             'src/formats/smilesformat.cpp:2569,21'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/formats/smilesformat.cpp:2569,51'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/formats/smilesformat.cpp:2574,9'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/smilesformat.cpp:2574,9'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/smilesformat.cpp:2584,19'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/formats/smilesformat.cpp:2585,11'
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        - Src:             'src/formats/smilesformat.cpp:628,37'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/smilesformat.cpp:628,15'
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          Dst:             _ZN9OpenBabel14OBSmilesParser14StereoRingBondD2Ev
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          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
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          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
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        - Src:             'src/formats/mdlformat.cpp:439,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
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          Dst:             atof
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          Dst:             atof
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          Dst:             atof
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          Dst:             _ZN9OpenBabel4TrimERNSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEE
        - Src:             'src/formats/mdlformat.cpp:455,30'
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        - Src:             'src/formats/mdlformat.cpp:466,24'
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        - Src:             'src/formats/mdlformat.cpp:473,20'
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        - Src:             'src/formats/mdlformat.cpp:477,20'
          Dst:             _ZN9OpenBabel9MDLFormat13ReadUIntFieldEPKc
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        - Src:             'src/formats/mdlformat.cpp:503,24'
          Dst:             _ZN9OpenBabel9MDLFormat12ReadIntFieldEPKc
        - Src:             'src/formats/mdlformat.cpp:505,38'
          Dst:             _ZN9OpenBabel14OBPairTemplateIiEC2Ev
        - Src:             'src/formats/mdlformat.cpp:506,18'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
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          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
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          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
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        - Src:             'src/formats/mdlformat.cpp:543,19'
          Dst:             _ZN9OpenBabel9MDLFormat13ReadUIntFieldEPKc
        - Src:             'src/formats/mdlformat.cpp:544,19'
          Dst:             _ZN9OpenBabel9MDLFormat13ReadUIntFieldEPKc
        - Src:             'src/formats/mdlformat.cpp:551,65'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mdlformat.cpp:551,89'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mdlformat.cpp:556,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:560,20'
          Dst:             _ZN9OpenBabel9MDLFormat13ReadUIntFieldEPKc
        - Src:             'src/formats/mdlformat.cpp:586,18'
          Dst:             _ZN9OpenBabel5OBMol7AddBondEiiiii
        - Src:             'src/formats/mdlformat.cpp:589,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:596,13'
          Dst:             _ZN9OpenBabel5OBMol20SetAromaticPerceivedEb
        - Src:             'src/formats/mdlformat.cpp:599,9'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:599,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mdlformat.cpp:599,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mdlformat.cpp:605,19'
          Dst:             _ZN9OpenBabel10OBKekulizeEPNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:600,21'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/mdlformat.cpp:601,19'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/formats/mdlformat.cpp:601,35'
          Dst:             _ZN9OpenBabel6OBAtom11SetAromaticEb
        - Src:             'src/formats/mdlformat.cpp:602,19'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/formats/mdlformat.cpp:602,33'
          Dst:             _ZN9OpenBabel6OBAtom11SetAromaticEb
        - Src:             'src/formats/mdlformat.cpp:613,22'
          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:636,25'
          Dst:             _ZN9OpenBabel9MDLFormat13ReadUIntFieldEPKc
        - Src:             'src/formats/mdlformat.cpp:641,33'
          Dst:             _ZN9OpenBabel9AliasDataC2Ev
        - Src:             'src/formats/mdlformat.cpp:642,17'
          Dst:             _ZN9OpenBabel9AliasData8SetAliasERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mdlformat.cpp:643,17'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/mdlformat.cpp:644,30'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/mdlformat.cpp:646,19'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/mdlformat.cpp:652,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mdlformat.cpp:666,15'
          Dst:             _ZN9OpenBabel9MDLFormat13ReadUIntFieldEPKc
        - Src:             'src/formats/mdlformat.cpp:668,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:672,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:676,24'
          Dst:             _ZN9OpenBabel9MDLFormat13ReadUIntFieldEPKc
        - Src:             'src/formats/mdlformat.cpp:677,23'
          Dst:             _ZN9OpenBabel9MDLFormat13ReadUIntFieldEPKc
        - Src:             'src/formats/mdlformat.cpp:680,42'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEi
        - Src:             'src/formats/mdlformat.cpp:681,26'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:684,17'
          Dst:             _ZN9OpenBabel6OBBond12SetBondOrderEi
        - Src:             'src/formats/mdlformat.cpp:688,42'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/mdlformat.cpp:689,26'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:693,19'
          Dst:             _ZN9OpenBabel6OBAtom19SetSpinMultiplicityEs
        - Src:             'src/formats/mdlformat.cpp:697,19'
          Dst:             _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - Src:             'src/formats/mdlformat.cpp:701,21'
          Dst:             _ZN9OpenBabel6OBAtom10SetIsotopeEj
        - Src:             'src/formats/mdlformat.cpp:706,19'
          Dst:             _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - Src:             'src/formats/mdlformat.cpp:715,24'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEj
        - Src:             'src/formats/mdlformat.cpp:716,28'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:718,61'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEj
        - Src:             'src/formats/mdlformat.cpp:720,17'
          Dst:             snprintf
        - Src:             'src/formats/mdlformat.cpp:721,21'
          Dst:             _ZN9OpenBabel9AliasData8SetAliasEPKc
        - Src:             'src/formats/mdlformat.cpp:731,9'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:731,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mdlformat.cpp:731,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mdlformat.cpp:732,48'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/formats/mdlformat.cpp:734,56'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mdlformat.cpp:734,33'
          Dst:             _ZN9OpenBabel10OBElements7GetMassEj
        - Src:             'src/formats/mdlformat.cpp:734,16'
          Dst:             _ZN9OpenBabel6OBAtom10SetIsotopeEj
        - Src:             'src/formats/mdlformat.cpp:739,9'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:739,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mdlformat.cpp:739,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mdlformat.cpp:740,34'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/formats/mdlformat.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - Src:             'src/formats/mdlformat.cpp:754,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:754,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mdlformat.cpp:754,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mdlformat.cpp:770,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:756,33'
          Dst:             _ZNK9OpenBabel6OBBond8GetFlagsEv
        - Src:             'src/formats/mdlformat.cpp:763,46'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/mdlformat.cpp:770,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mdlformat.cpp:770,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mdlformat.cpp:771,33'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mdlformat.cpp:772,26'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:776,33'
          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/mdlformat.cpp:777,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/mdlformat.cpp:776,66'
          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/mdlformat.cpp:782,56'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:784,33'
          Dst:             _ZL10HYDValencejij
        - Src:             'src/formats/mdlformat.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom17SetImplicitHCountEj
        - Src:             'src/formats/mdlformat.cpp:804,24'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:808,20'
          Dst:             _ZL10MDLValencejij
        - Src:             'src/formats/mdlformat.cpp:810,28'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/mdlformat.cpp:825,15'
          Dst:             _ZN9OpenBabel6OBAtom17SetImplicitHCountEj
        - Src:             'src/formats/mdlformat.cpp:837,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:838,11'
          Dst:             _ZN9OpenBabel9AliasData6ExpandERNS_5OBMolEj
        - Src:             'src/formats/mdlformat.cpp:842,31'
          Dst:             _ZN9OpenBabel13OBCommentDataC2Ev
        - Src:             'src/formats/mdlformat.cpp:843,11'
          Dst:             _ZN9OpenBabel13OBCommentData7SetDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mdlformat.cpp:844,11'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/mdlformat.cpp:845,11'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/mdlformat.cpp:849,9'
          Dst:             _ZN9OpenBabel9MDLFormat17ReadPropertyLinesERNSt3__113basic_istreamIcNS1_11char_traitsIcEEEERNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:851,14'
          Dst:             _ZN9OpenBabel12OBConversion9AddOptionEPKcNS0_11Option_typeES2_
        - Src:             'src/formats/mdlformat.cpp:855,13'
          Dst:             _ZN9OpenBabel5OBMol5Has3DEv
        - Src:             'src/formats/mdlformat.cpp:857,13'
          Dst:             _ZN9OpenBabel5OBMol12SetDimensionEt
        - Src:             'src/formats/mdlformat.cpp:859,7'
          Dst:             _ZN9OpenBabel12StereoFrom3DEPNS_5OBMolEb
        - Src:             'src/formats/mdlformat.cpp:860,33'
          Dst:             _ZN9OpenBabel14OBStereoFacadeC2EPNS_5OBMolEb
        - Src:             'src/formats/mdlformat.cpp:862,18'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:863,9'
          Dst:             _ZN9OpenBabel9MDLFormat19TetStereoFromParityERNS_5OBMolERNSt3__16vectorINS0_6ParityENS3_9allocatorIS5_EEEEb
        - Src:             'src/formats/mdlformat.cpp:869,38'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/mdlformat.cpp:869,52'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/formats/mdlformat.cpp:870,44'
          Dst:             _ZN9OpenBabel14OBStereoFacade20GetTetrahedralStereoEm
        - Src:             'src/formats/mdlformat.cpp:873,52'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/formats/mdlformat.cpp:875,15'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo9SetConfigERKNS0_6ConfigE
        - Src:             'src/formats/mdlformat.cpp:876,9'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:876,9'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:884,19'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/mdlformat.cpp:886,63'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/formats/mdlformat.cpp:886,39'
          Dst:             _ZN9OpenBabel14OBStereoFacade17GetCisTransStereoEm
        - Src:             'src/formats/mdlformat.cpp:888,49'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - Src:             'src/formats/mdlformat.cpp:890,15'
          Dst:             _ZN9OpenBabel16OBCisTransStereo9SetConfigERKNS0_6ConfigE
        - Src:             'src/formats/mdlformat.cpp:891,9'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:891,9'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - Src:             'src/formats/mdlformat.cpp:893,5'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
        - Src:             'src/formats/mdlformat.cpp:893,5'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
        - Src:             'src/formats/mdlformat.cpp:894,13'
          Dst:             _ZN9OpenBabel5OBMol5Has2DEb
        - Src:             'src/formats/mdlformat.cpp:896,13'
          Dst:             _ZN9OpenBabel5OBMol12SetDimensionEt
        - Src:             'src/formats/mdlformat.cpp:898,7'
          Dst:             _ZN9OpenBabel12StereoFrom2DEPNS_5OBMolEPNSt3__13mapIPNS_6OBBondENS_8OBStereo13BondDirectionENS2_4lessIS5_EENS2_9allocatorINS2_4pairIKS5_S7_EEEEEEb
        - Src:             'src/formats/mdlformat.cpp:899,18'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:900,9'
          Dst:             _ZN9OpenBabel9MDLFormat19TetStereoFromParityERNS_5OBMolERNSt3__16vectorINS0_6ParityENS3_9allocatorIS5_EEEEb
        - Src:             'src/formats/mdlformat.cpp:904,13'
          Dst:             _ZN9OpenBabel5OBMol12SetDimensionEt
        - Src:             'src/formats/mdlformat.cpp:907,18'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:907,67'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:908,9'
          Dst:             _ZN9OpenBabel9MDLFormat19TetStereoFromParityERNS_5OBMolERNSt3__16vectorINS0_6ParityENS3_9allocatorIS5_EEEEb
        - Src:             'src/formats/mdlformat.cpp:909,7'
          Dst:             _ZN9OpenBabel12StereoFrom0DEPNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:910,18'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:911,9'
          Dst:             _ZN9OpenBabel9MDLFormat18CisTransFromUpDownEPNS_5OBMolEPNSt3__13mapIPNS_6OBBondENS_8OBStereo13BondDirectionENS3_4lessIS6_EENS3_9allocatorINS3_4pairIKS6_S8_EEEEEE
    - functionName:    _ZN9OpenBabel9MDLFormat13WriteMoleculeEPNS_6OBBaseEPNS_12OBConversionE
      functionSourceFile: '/src/openbabel/src/formats/mdlformat.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1043
      functionLinenumberEnd: 1416
      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:1044,19'
          Dst:             __dynamic_cast
        - Src:             'src/formats/mdlformat.cpp:1047,28'
          Dst:             _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - Src:             'src/formats/mdlformat.cpp:1051,13'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/formats/mdlformat.cpp:1053,18'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1054,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:1057,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:1061,40'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1062,34'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1069,21'
          Dst:             _ZN9OpenBabel5OBMolC2ERKS0_
        - Src:             'src/formats/mdlformat.cpp:1070,25'
          Dst:             _ZN9OpenBabel5OBMol16ConvertZeroBondsEv
        - Src:             'src/formats/mdlformat.cpp:1072,5'
          Dst:             _ZN9OpenBabel14PerceiveStereoEPNS_5OBMolEb
        - Src:             'src/formats/mdlformat.cpp:1074,16'
          Dst:             _ZNK9OpenBabel12OBConversion14GetOutputIndexEv
        - Src:             'src/formats/mdlformat.cpp:1082,12'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/formats/mdlformat.cpp:1085,15'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1086,7'
          Dst:             _ZN9OpenBabel9AliasData17RevertToAliasFormERNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:1092,28'
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        - Src:             'src/formats/mdlformat.cpp:1095,13'
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        - Src:             'src/formats/mdlformat.cpp:1096,47'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEj
        - Src:             'src/formats/mdlformat.cpp:1097,28'
          Dst:             _ZNK9OpenBabel13OBCommentData7GetDataEv
        - Src:             'src/formats/mdlformat.cpp:1108,15'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1108,36'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mdlformat.cpp:1108,60'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/formats/mdlformat.cpp:1109,12'
          Dst:             _ZN9OpenBabel9MDLFormat10WriteV3000ERNSt3__113basic_ostreamIcNS1_11char_traitsIcEEEERNS_5OBMolEPNS_12OBConversionE
        - Src:             'src/formats/mdlformat.cpp:1115,15'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mdlformat.cpp:1115,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/formats/mdlformat.cpp:1119,48'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mdlformat.cpp:1120,35'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/formats/mdlformat.cpp:1121,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mdlformat.cpp:1126,38'
          Dst:             _ZN9OpenBabel22GetUnspecifiedCisTransERNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:1135,7'
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        - Src:             'src/formats/mdlformat.cpp:1136,15'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/formats/mdlformat.cpp:1136,43'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/formats/mdlformat.cpp:1136,72'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1137,9'
          Dst:             _ZN9OpenBabel20TetStereoToWedgeHashERNS_5OBMolERNSt3__13mapIPNS_6OBBondENS_8OBStereo13BondDirectionENS2_4lessIS5_EENS2_9allocatorINS2_4pairIKS5_S7_EEEEEERNS3_IS5_mS9_NSA_INSB_ISC_mEEEEEE
        - Src:             'src/formats/mdlformat.cpp:1141,15'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/formats/mdlformat.cpp:1141,46'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1142,9'
          Dst:             _ZN9OpenBabel9MDLFormat9GetUpDownERNS_5OBMolERNSt3__13mapIPNS_6OBBondENS_8OBStereo13BondDirectionENS3_4lessIS6_EENS3_9allocatorINS3_4pairIKS6_S8_EEEEEERNS3_3setIS6_SA_NSB_IS6_EEEE
        - Src:             'src/formats/mdlformat.cpp:1155,25'
          Dst:             _ZN9OpenBabelL28GetChiralFlagFromGenericDataERNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:1158,20'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mdlformat.cpp:1158,36'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/formats/mdlformat.cpp:1157,7'
          Dst:             snprintf
        - Src:             'src/formats/mdlformat.cpp:1165,23'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mdlformat.cpp:1167,23'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1181,28'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/formats/mdlformat.cpp:1182,39'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mdlformat.cpp:1182,61'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1183,44'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/formats/mdlformat.cpp:1185,26'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/mdlformat.cpp:1182,22'
          Dst:             _ZL10MDLValencejij
        - Src:             'src/formats/mdlformat.cpp:1193,39'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/mdlformat.cpp:1195,37'
          Dst:             __dynamic_cast
        - Src:             'src/formats/mdlformat.cpp:1206,17'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/mdlformat.cpp:1206,31'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/mdlformat.cpp:1206,45'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/mdlformat.cpp:1207,11'
          Dst:             _ZN9OpenBabelL10AtomSymbolEPNS_5OBMolEPNS_6OBAtomE
        - Src:             'src/formats/mdlformat.cpp:1205,9'
          Dst:             snprintf
        - Src:             'src/formats/mdlformat.cpp:1165,54'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mdlformat.cpp:1217,23'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mdlformat.cpp:1218,26'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/mdlformat.cpp:1225,47'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1225,63'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/formats/mdlformat.cpp:1226,67'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/formats/mdlformat.cpp:1228,20'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/formats/mdlformat.cpp:1228,50'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1229,27'
          Dst:             _ZN9OpenBabel6OBBond7IsWedgeEv
        - Src:             'src/formats/mdlformat.cpp:1231,32'
          Dst:             _ZN9OpenBabel6OBBond6IsHashEv
        - Src:             'src/formats/mdlformat.cpp:1233,32'
          Dst:             _ZNK9OpenBabel6OBBond13IsWedgeOrHashEv
        - Src:             'src/formats/mdlformat.cpp:1244,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1245,36'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1246,37'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/mdlformat.cpp:1253,58'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1253,44'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEi
        - Src:             'src/formats/mdlformat.cpp:1254,31'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/mdlformat.cpp:1218,58'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/mdlformat.cpp:1217,52'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mdlformat.cpp:1267,23'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mdlformat.cpp:1268,18'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/mdlformat.cpp:1268,51'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/mdlformat.cpp:1270,18'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/mdlformat.cpp:1272,18'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1275,50'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1275,36'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/mdlformat.cpp:1277,32'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1278,37'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1278,64'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1279,48'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1279,68'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1281,30'
          Dst:             _ZNK9OpenBabel6OBAtom21ExplicitHydrogenCountEb
        - Src:             'src/formats/mdlformat.cpp:1281,62'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/formats/mdlformat.cpp:1282,49'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mdlformat.cpp:1282,75'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1282,104'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/formats/mdlformat.cpp:1282,28'
          Dst:             _ZL10HYDValencejij
        - Src:             'src/formats/mdlformat.cpp:1283,42'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/formats/mdlformat.cpp:1283,71'
          Dst:             _ZNK9OpenBabel6OBAtom21ExplicitHydrogenCountEb
        - Src:             'src/formats/mdlformat.cpp:1285,48'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1285,64'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/formats/mdlformat.cpp:1290,25'
          Dst:             _ZN9OpenBabelL17GetNumberedRGroupEPNS_5OBMolEPNS_6OBAtomE
        - Src:             'src/formats/mdlformat.cpp:1292,21'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEj
        - Src:             'src/formats/mdlformat.cpp:1293,59'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEj
        - Src:             'src/formats/mdlformat.cpp:1294,21'
          Dst:             _ZNK9OpenBabel9AliasData10IsExpandedEv
        - Src:             'src/formats/mdlformat.cpp:1295,57'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1295,81'
          Dst:             _ZNK9OpenBabel9AliasData8GetAliasEb
        - Src:             'src/formats/mdlformat.cpp:1299,53'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1267,52'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mdlformat.cpp:1310,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1310,68'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/mdlformat.cpp:1310,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1310,68'
          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
        - Src:             'src/formats/mdlformat.cpp:1321,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1321,68'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/mdlformat.cpp:1321,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1321,68'
          Dst:             _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - Src:             'src/formats/mdlformat.cpp:1332,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1332,68'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1332,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mdlformat.cpp:1332,68'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mdlformat.cpp:1384,15'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1384,41'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1386,18'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1387,9'
          Dst:             _ZN9OpenBabelL22GenerateAsciiDepictionEPNS_5OBMolE
        - Src:             'src/formats/mdlformat.cpp:1390,42'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEv
        - Src:             'src/formats/mdlformat.cpp:1393,19'
          Dst:             _ZNK9OpenBabel13OBGenericData11GetDataTypeEv
        - Src:             'src/formats/mdlformat.cpp:1411,16'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1412,18'
          Dst:             _ZN9OpenBabel12OBConversion6IsLastEv
        - Src:             'src/formats/mdlformat.cpp:1412,56'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mdlformat.cpp:1416,3'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
        - Src:             'src/formats/mdlformat.cpp:1416,3'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
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      functionLinenumber: 119
      functionLinenumberEnd: 119
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel5OBMol16ClassDescriptionEv
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      functionSourceFile: '/src/openbabel/src/formats/mdlformat.cpp'
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      functionLinenumberEnd: 110
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      argTypes:
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      linkageType:     InternalLinkage
      functionLinenumber: 114
      functionLinenumberEnd: 115
      functionDepth:   0
      returnType:      'N/A'
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      argTypes:
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      linkageType:     InternalLinkage
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      functionLinenumberEnd: 118
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      linkageType:     InternalLinkage
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      functionLinenumberEnd: 130
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      argNames:
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      functionsReached:
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        - _ZNK9OpenBabel12OBConversion11GetInStreamEv
      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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      linkageType:     externalLinkage
      functionLinenumber: 1702
      functionLinenumberEnd: 1713
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      BranchProfiles:  []
      Callsites:
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          Dst:             time
        - Src:             'src/formats/mdlformat.cpp:1708,10'
          Dst:             localtime
        - Src:             'src/formats/mdlformat.cpp:1709,5'
          Dst:             snprintf
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      linkageType:     InternalLinkage
      functionLinenumber: 61
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        - _ZNK9OpenBabel16OBMolBondBFSIterptEv
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        - _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
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          Dst:             _ZN9OpenBabel16OBMolBondBFSIterD2Ev
        - Src:             'src/formats/mdlformat.cpp:1723,11'
          Dst:             _ZNK9OpenBabel16OBMolBondBFSIterptEv
        - Src:             'src/formats/mdlformat.cpp:1723,14'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
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          Dst:             _ZNK9OpenBabel16OBMolBondBFSIterptEv
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          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/formats/mdlformat.cpp:1723,45'
          Dst:             _ZN9OpenBabel14OBStereoFacade17HasCisTransStereoEm
        - Src:             'src/formats/mdlformat.cpp:1724,55'
          Dst:             _ZNK9OpenBabel16OBMolBondBFSIterptEv
        - Src:             'src/formats/mdlformat.cpp:1724,58'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel16OBMolBondBFSIterppEv
        - Src:             'src/formats/mdlformat.cpp:1728,5'
          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel16OBMolBondBFSIterD2Ev
        - Src:             'src/formats/mdlformat.cpp:1750,44'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
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          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
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          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
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          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
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          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
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        - Branch String:   'src/formats/mdlvalence.h:40,5'
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        - 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:    []
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        - Src:             'src/formats/mol2format.cpp:398,18'
          Dst:             _ZN9OpenBabel9OBResidue7AddAtomEPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:399,18'
          Dst:             _ZN9OpenBabel9OBResidue9SetAtomIDEPNS_6OBAtomERKNSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEE
        - Src:             'src/formats/mol2format.cpp:404,20'
          Dst:             _ZN9OpenBabelL14read_until_rtiERNSt3__113basic_istreamIcNS0_11char_traitsIcEEEE
        - Src:             'src/formats/mol2format.cpp:412,11'
          Dst:             __isoc99_sscanf
        - Src:             'src/formats/mol2format.cpp:417,16'
          Dst:             strncmp
        - Src:             'src/formats/mol2format.cpp:420,15'
          Dst:             __isoc99_sscanf
        - Src:             'src/formats/mol2format.cpp:421,29'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mol2format.cpp:423,36'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/mol2format.cpp:424,23'
          Dst:             _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - Src:             'src/formats/mol2format.cpp:432,17'
          Dst:             _ZN9OpenBabelL14read_until_rtiERNSt3__113basic_istreamIcNS0_11char_traitsIcEEEE
        - Src:             'src/formats/mol2format.cpp:444,9'
          Dst:             __isoc99_sscanf
        - Src:             'src/formats/mol2format.cpp:456,19'
          Dst:             atoi
        - Src:             'src/formats/mol2format.cpp:458,13'
          Dst:             _ZN9OpenBabel5OBMol7AddBondEiiiii
        - Src:             'src/formats/mol2format.cpp:470,9'
          Dst:             _ZN9OpenBabel5OBMol20SetAromaticPerceivedEb
        - Src:             'src/formats/mol2format.cpp:473,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/mol2format.cpp:473,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mol2format.cpp:473,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mol2format.cpp:474,44'
          Dst:             _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - Src:             'src/formats/mol2format.cpp:475,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mol2format.cpp:478,28'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/formats/mol2format.cpp:478,15'
          Dst:             strcmp
        - Src:             'src/formats/mol2format.cpp:480,28'
          Dst:             _ZN9OpenBabel14OBAtomBondIterC2EPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:481,18'
          Dst:             _ZNK9OpenBabel14OBAtomBondIterptEv
        - Src:             'src/formats/mol2format.cpp:481,23'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/mol2format.cpp:481,39'
          Dst:             _ZNK9OpenBabel14OBAtomBondIterptEv
        - Src:             'src/formats/mol2format.cpp:481,44'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/mol2format.cpp:482,21'
          Dst:             _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - Src:             'src/formats/mol2format.cpp:483,11'
          Dst:             _ZN9OpenBabel14OBAtomBondIterD2Ev
        - Src:             'src/formats/mol2format.cpp:483,11'
          Dst:             _ZN9OpenBabel14OBAtomBondIterD2Ev
        - Src:             'src/formats/mol2format.cpp:487,19'
          Dst:             _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - Src:             'src/formats/mol2format.cpp:498,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/mol2format.cpp:498,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mol2format.cpp:498,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mol2format.cpp:532,7'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/formats/mol2format.cpp:501,14'
          Dst:             _ZN9OpenBabelL16IsOxygenOrSulfurEPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:501,66'
          Dst:             _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - Src:             'src/formats/mol2format.cpp:502,24'
          Dst:             _ZN9OpenBabel14OBAtomBondIterC2EPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:503,26'
          Dst:             _ZNK9OpenBabel14OBAtomBondIterdeEv
        - Src:             'src/formats/mol2format.cpp:504,21'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/mol2format.cpp:506,33'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:507,21'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mol2format.cpp:511,9'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:511,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mol2format.cpp:511,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mol2format.cpp:512,41'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/mol2format.cpp:513,31'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:514,15'
          Dst:             _ZN9OpenBabelL16IsOxygenOrSulfurEPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:514,45'
          Dst:             _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - Src:             'src/formats/mol2format.cpp:520,33'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mol2format.cpp:523,16'
          Dst:             _ZN9OpenBabel6OBBond11SetAromaticEb
        - Src:             'src/formats/mol2format.cpp:524,25'
          Dst:             _ZN9OpenBabel6OBAtom15SetFormalChargeEi
        - Src:             'src/formats/mol2format.cpp:526,16'
          Dst:             _ZN9OpenBabel6OBBond11SetAromaticEb
        - Src:             'src/formats/mol2format.cpp:527,16'
          Dst:             _ZN9OpenBabel6OBBond12SetBondOrderEi
        - Src:             'src/formats/mol2format.cpp:528,7'
          Dst:             _ZN9OpenBabel14OBAtomBondIterD2Ev
        - Src:             'src/formats/mol2format.cpp:528,7'
          Dst:             _ZN9OpenBabel14OBAtomBondIterD2Ev
        - Src:             'src/formats/mol2format.cpp:532,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mol2format.cpp:532,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mol2format.cpp:538,17'
          Dst:             _ZN9OpenBabel10OBKekulizeEPNS_5OBMolE
        - Src:             'src/formats/mol2format.cpp:533,19'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/mol2format.cpp:534,17'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/formats/mol2format.cpp:534,33'
          Dst:             _ZN9OpenBabel6OBAtom11SetAromaticEb
        - Src:             'src/formats/mol2format.cpp:535,17'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/formats/mol2format.cpp:535,31'
          Dst:             _ZN9OpenBabel6OBAtom11SetAromaticEb
        - Src:             'src/formats/mol2format.cpp:546,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/mol2format.cpp:555,9'
          Dst:             _ZN9OpenBabel5OBMol21SetAtomTypesPerceivedEb
        - Src:             'src/formats/mol2format.cpp:558,11'
          Dst:             _ZN9OpenBabel5OBMol18SetChainsPerceivedEb
        - Src:             'src/formats/mol2format.cpp:563,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/mol2format.cpp:563,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/mol2format.cpp:563,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/mol2format.cpp:564,20'
          Dst:             _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - Src:             'src/formats/mol2format.cpp:565,11'
          Dst:             _ZN9OpenBabel36OBAtomAssignTypicalImplicitHydrogensEPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:572,33'
          Dst:             _ZN9OpenBabel13OBCommentDataC2Ev
        - Src:             'src/formats/mol2format.cpp:573,13'
          Dst:             _ZN9OpenBabel13OBCommentData7SetDataEPKc
        - Src:             'src/formats/mol2format.cpp:574,13'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/mol2format.cpp:575,13'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/mol2format.cpp:580,11'
          Dst:             _ZN9OpenBabel5OBMol26SetPartialChargesPerceivedEb
        - Src:             'src/formats/mol2format.cpp:598,3'
          Dst:             _ZN9OpenBabel6OBAtomD2Ev
        - Src:             'src/formats/mol2format.cpp:598,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/mol2format.cpp:598,3'
          Dst:             _ZN9OpenBabel6OBAtomD2Ev
        - Src:             'src/formats/mol2format.cpp:598,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel10MOL2Format13WriteMoleculeEPNS_6OBBaseEPNS_12OBConversionE
      functionSourceFile: '/src/openbabel/src/formats/mol2format.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 603
      functionLinenumberEnd: 768
      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:604,19'
          Dst:             __dynamic_cast
        - Src:             'src/formats/mol2format.cpp:609,28'
          Dst:             _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - Src:             'src/formats/mol2format.cpp:611,31'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mol2format.cpp:612,36'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mol2format.cpp:620,16'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mol2format.cpp:622,44'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEv
        - Src:             'src/formats/mol2format.cpp:625,23'
          Dst:             _ZNK9OpenBabel13OBGenericData11GetDataTypeEv
        - Src:             'src/formats/mol2format.cpp:642,52'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mol2format.cpp:642,67'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/formats/mol2format.cpp:642,5'
          Dst:             snprintf
        - Src:             'src/formats/mol2format.cpp:646,39'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/mol2format.cpp:652,11'
          Dst:             strcasecmp
        - Src:             'src/formats/mol2format.cpp:654,16'
          Dst:             strcasecmp
        - Src:             'src/formats/mol2format.cpp:656,16'
          Dst:             strcasecmp
        - Src:             'src/formats/mol2format.cpp:658,16'
          Dst:             strcasecmp
        - Src:             'src/formats/mol2format.cpp:669,13'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEj
        - Src:             'src/formats/mol2format.cpp:672,49'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEj
        - Src:             'src/formats/mol2format.cpp:673,20'
          Dst:             _ZNK9OpenBabel13OBCommentData7GetDataEv
        - Src:             'src/formats/mol2format.cpp:685,10'
          Dst:             _ZN9OpenBabel11OBTypeTable11SetFromTypeEPKc
        - Src:             'src/formats/mol2format.cpp:686,10'
          Dst:             _ZN9OpenBabel11OBTypeTable9SetToTypeEPKc
        - Src:             'src/formats/mol2format.cpp:689,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mol2format.cpp:697,46'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mol2format.cpp:697,18'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/mol2format.cpp:698,37'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/mol2format.cpp:696,9'
          Dst:             snprintf
        - Src:             'src/formats/mol2format.cpp:702,21'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/formats/mol2format.cpp:703,14'
          Dst:             _ZN9OpenBabel11OBTypeTable9TranslateERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERKS7_
        - Src:             'src/formats/mol2format.cpp:705,19'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mol2format.cpp:710,42'
          Dst:             _ZN9OpenBabel6OBAtom10GetResidueEv
        - Src:             'src/formats/mol2format.cpp:713,55'
          Dst:             _ZNK9OpenBabel9OBResidue9GetAtomIDEPNS_6OBAtomE
        - Src:             'src/formats/mol2format.cpp:713,13'
          Dst:             snprintf
        - Src:             'src/formats/mol2format.cpp:715,51'
          Dst:             _ZNK9OpenBabel9OBResidue7GetNameEv
        - Src:             'src/formats/mol2format.cpp:715,75'
          Dst:             _ZN9OpenBabel9OBResidue6GetNumEv
        - Src:             'src/formats/mol2format.cpp:715,13'
          Dst:             snprintf
        - Src:             'src/formats/mol2format.cpp:716,47'
          Dst:             _ZN9OpenBabel9OBResidue6GetNumEv
        - Src:             'src/formats/mol2format.cpp:716,13'
          Dst:             snprintf
        - Src:             'src/formats/mol2format.cpp:720,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mol2format.cpp:721,24'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/mol2format.cpp:721,37'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/mol2format.cpp:721,50'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/mol2format.cpp:724,24'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/formats/mol2format.cpp:719,9'
          Dst:             snprintf
        - Src:             'src/formats/mol2format.cpp:689,50'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mol2format.cpp:733,23'
          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mol2format.cpp:735,28'
          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - Src:             'src/formats/mol2format.cpp:738,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/mol2format.cpp:733,52'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/formats/mol2format.cpp:748,21'
          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/formats/mol2format.cpp:750,20'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/formats/mol2format.cpp:750,36'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/formats/mol2format.cpp:751,20'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/formats/mol2format.cpp:751,34'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/formats/mol2format.cpp:752,19'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/formats/mol2format.cpp:754,24'
          Dst:             _ZN9OpenBabel6OBBond7IsAmideEv
        - Src:             'src/formats/mol2format.cpp:757,47'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/formats/mol2format.cpp:757,11'
          Dst:             snprintf
        - Src:             'src/formats/mol2format.cpp:760,24'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/formats/mol2format.cpp:760,41'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/formats/mol2format.cpp:760,65'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/formats/mol2format.cpp:759,9'
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          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
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          Dst:             _ZN9OpenBabelL21readIntegerFromRecordEPcjPl
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          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
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          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/reportformat.cpp:318,24'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
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        - Src:             'src/formats/reportformat.cpp:326,24'
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          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
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        - Src:             'src/formats/reportformat.cpp:337,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
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          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'
          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
        - 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'
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          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          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:             _ZNK9OpenBabel6OBAtom4GetXEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/reportformat.cpp:335,25'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/reportformat.cpp:335,25'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/reportformat.cpp:336,26'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
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          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
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        - Src:             'src/formats/reportformat.cpp:337,26'
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          Dst:             snprintf
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          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
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        - Src:             'src/formats/reportformat.cpp:391,15'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
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          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/reportformat.cpp:393,41'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/reportformat.cpp:393,16'
          Dst:             _ZN9OpenBabel6OBAtom8GetAngleEii
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          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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      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
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          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
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          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
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        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
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      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
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        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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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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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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      functionsReached:
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      Callsites:
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        - Src:             'src/formats/svgformat.cpp:0,0'
          Dst:             __cxa_atexit
        - Src:             'src/formats/svgformat.cpp:0,0'
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      argTypes:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel8OBFormatC2Ev
        - Src:             'src/formats/svgformat.cpp:34,5'
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          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/gamessformat.cpp:291,10'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:294,21'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gamessformat.cpp:302,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:313,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:320,15'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:321,25'
          Dst:             _ZN9OpenBabel10OBElements12GetAtomicNumEPKc
        - Src:             'src/formats/gamessformat.cpp:324,26'
          Dst:             _ZN9OpenBabel5OBMol7NewAtomEv
        - Src:             'src/formats/gamessformat.cpp:325,21'
          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/gamessformat.cpp:334,25'
          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:344,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:347,27'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gamessformat.cpp:353,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:357,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:360,27'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:361,15'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:362,15'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:363,15'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:366,24'
          Dst:             _ZN9OpenBabel5OBMol7NewAtomEv
        - Src:             'src/formats/gamessformat.cpp:367,19'
          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/gamessformat.cpp:375,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:378,13'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:383,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:388,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:395,29'
          Dst:             _ZN9OpenBabel10OBElements12GetAtomicNumEPKc
        - Src:             'src/formats/gamessformat.cpp:397,29'
          Dst:             _ZN9OpenBabel10OBElements12GetAtomicNumEPKc
        - Src:             'src/formats/gamessformat.cpp:400,28'
          Dst:             _ZN9OpenBabel5OBMol7NewAtomEv
        - Src:             'src/formats/gamessformat.cpp:401,23'
          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/gamessformat.cpp:403,19'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:404,19'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:405,19'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:413,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:418,22'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gamessformat.cpp:426,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:426,58'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:427,21'
          Dst:             strtok
        - Src:             'src/formats/gamessformat.cpp:430,17'
          Dst:             strtok
        - Src:             'src/formats/gamessformat.cpp:430,17'
          Dst:             strtok
        - Src:             'src/formats/gamessformat.cpp:430,17'
          Dst:             strtok
        - Src:             'src/formats/gamessformat.cpp:435,36'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:440,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:448,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:450,44'
          Dst:             _ZN9OpenBabel12OBVectorDataC2Ev
        - Src:             'src/formats/gamessformat.cpp:451,25'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:453,15'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:454,15'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:455,15'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:456,25'
          Dst:             _ZN9OpenBabel12OBVectorData7SetDataEddd
        - Src:             'src/formats/gamessformat.cpp:457,25'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gamessformat.cpp:458,15'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gamessformat.cpp:461,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:466,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:468,30'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:468,22'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/gamessformat.cpp:469,34'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:469,17'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/formats/gamessformat.cpp:473,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:476,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:480,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:483,24'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:486,22'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/gamessformat.cpp:487,34'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:487,17'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/formats/gamessformat.cpp:491,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:494,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:495,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:497,19'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:499,19'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:501,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:502,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:505,29'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:506,29'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:508,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:509,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:511,25'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:511,15'
          Dst:             _ZN9OpenBabel5OBMol9SetEnergyEd
        - Src:             'src/formats/gamessformat.cpp:513,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:514,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:520,36'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:522,35'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:525,13'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:530,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:534,35'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:537,13'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:538,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:541,43'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:556,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:562,30'
          Dst:             atoi
        - Src:             'src/formats/gamessformat.cpp:562,22'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/gamessformat.cpp:563,47'
          Dst:             _ZNK9OpenBabel6OBAtom13GetAtomicMassEv
        - Src:             'src/formats/gamessformat.cpp:563,35'
          Dst:             sqrt
        - Src:             'src/formats/gamessformat.cpp:568,45'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:572,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:574,45'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:579,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:581,45'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:589,52'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/gamessformat.cpp:589,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/gamessformat.cpp:589,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/gamessformat.cpp:596,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:600,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:601,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:608,16'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:609,16'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:613,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:615,40'
          Dst:             atof
        - Src:             'src/formats/gamessformat.cpp:618,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:625,21'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:626,21'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:632,18'
          Dst:             strstr
        - Src:             'src/formats/gamessformat.cpp:638,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gamessformat.cpp:641,54'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:643,28'
          Dst:             _ZN9OpenBabel9OBSetDataC2Ev
        - Src:             'src/formats/gamessformat.cpp:644,23'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:645,23'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gamessformat.cpp:646,23'
          Dst:             _ZN9OpenBabel9OBSetData7AddDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gamessformat.cpp:651,40'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/formats/gamessformat.cpp:652,23'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:653,23'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:654,23'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gamessformat.cpp:655,25'
          Dst:             _ZN9OpenBabel9OBSetData7AddDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gamessformat.cpp:682,13'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gamessformat.cpp:689,31'
          Dst:             _ZN9OpenBabel13OBOrbitalDataC2Ev
        - Src:             'src/formats/gamessformat.cpp:692,13'
          Dst:             _ZN9OpenBabel13OBOrbitalData23LoadClosedShellOrbitalsENSt3__16vectorIdNS1_9allocatorIdEEEENS2_INS1_12basic_stringIcNS1_11char_traitsIcEENS3_IcEEEENS3_ISA_EEEEj
        - Src:             'src/formats/gamessformat.cpp:694,11'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gamessformat.cpp:695,11'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gamessformat.cpp:698,41'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/gamessformat.cpp:702,13'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gamessformat.cpp:705,46'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataEPKc
        - Src:             'src/formats/gamessformat.cpp:706,46'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataEPKc
        - Src:             'src/formats/gamessformat.cpp:715,34'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataEPKc
        - Src:             'src/formats/gamessformat.cpp:721,34'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataEPKc
        - Src:             'src/formats/gamessformat.cpp:727,34'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataEPKc
        - Src:             'src/formats/gamessformat.cpp:733,34'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataEPKc
        - Src:             'src/formats/gamessformat.cpp:739,34'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataEPKc
        - Src:             'src/formats/gamessformat.cpp:749,13'
          Dst:             tolower
        - Src:             'src/formats/gamessformat.cpp:755,50'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataEPKc
        - Src:             'src/formats/gamessformat.cpp:756,50'
          Dst:             _ZN9OpenBabel9OBSetData7GetDataEPKc
        - Src:             'src/formats/gamessformat.cpp:785,18'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/formats/gamessformat.cpp:786,13'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:787,13'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:788,13'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gamessformat.cpp:789,15'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gamessformat.cpp:793,18'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/formats/gamessformat.cpp:794,13'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:795,13'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:796,13'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gamessformat.cpp:797,15'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gamessformat.cpp:801,18'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/formats/gamessformat.cpp:802,13'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:803,13'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gamessformat.cpp:804,13'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gamessformat.cpp:805,15'
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        - _ZNK9OpenBabel5OBMol9GetEnergyEv
        - __isoc99_sscanf
        - atof
        - atoi
        - strchr
        - strdup
        - strlen
        - strncpy
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      functionUses:    0
      BranchProfiles:  []
      Callsites:
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          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:517,13'
          Dst:             strncpy
        - Src:             'src/formats/gaussformat.cpp:518,13'
          Dst:             strlen
        - Src:             'src/formats/gaussformat.cpp:530,12'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:535,26'
          Dst:             strchr
        - Src:             'src/formats/gaussformat.cpp:542,19'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:544,30'
          Dst:             strlen
        - Src:             'src/formats/gaussformat.cpp:548,19'
          Dst:             _ZN9OpenBabelL26add_unique_pairdata_to_molEPNS_5OBMolENSt3__112basic_stringIcNS2_11char_traitsIcEENS2_9allocatorIcEEEES8_i
        - Src:             'src/formats/gaussformat.cpp:553,21'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:560,41'
          Dst:             _ZN9OpenBabel13OBCommentDataC2Ev
        - Src:             'src/formats/gaussformat.cpp:561,21'
          Dst:             _ZN9OpenBabel13OBCommentData7SetDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:562,21'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:563,21'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:565,17'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:568,33'
          Dst:             strdup
        - Src:             'src/formats/gaussformat.cpp:569,33'
          Dst:             strchr
        - Src:             'src/formats/gaussformat.cpp:574,25'
          Dst:             _ZN9OpenBabelL26add_unique_pairdata_to_molEPNS_5OBMolENSt3__112basic_stringIcNS2_11char_traitsIcEENS2_9allocatorIcEEEES8_i
        - Src:             'src/formats/gaussformat.cpp:576,25'
          Dst:             _ZN9OpenBabelL26add_unique_pairdata_to_molEPNS_5OBMolENSt3__112basic_stringIcNS2_11char_traitsIcEENS2_9allocatorIcEEEES8_i
        - Src:             'src/formats/gaussformat.cpp:586,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:588,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:591,32'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:592,37'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:597,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:605,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:609,21'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:610,21'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:611,21'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:612,33'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:617,34'
          Dst:             _ZN9OpenBabel5OBMol7NewAtomEv
        - Src:             'src/formats/gaussformat.cpp:618,42'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:618,29'
          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/gaussformat.cpp:625,63'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/formats/gaussformat.cpp:631,17'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:634,26'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:644,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:647,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:650,52'
          Dst:             _ZN9OpenBabel12OBVectorDataC2Ev
        - Src:             'src/formats/gaussformat.cpp:651,33'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:653,23'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:654,23'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:655,23'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:656,33'
          Dst:             _ZN9OpenBabel12OBVectorData7SetDataEddd
        - Src:             'src/formats/gaussformat.cpp:657,33'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:658,23'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:662,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:665,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:667,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:671,67'
          Dst:             _ZN9OpenBabel12OBMatrixDataC2Ev
        - Src:             'src/formats/gaussformat.cpp:673,29'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:674,29'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:675,29'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:676,39'
          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:679,29'
          Dst:             _ZN9OpenBabel9matrix3x3C2EPA3_d
        - Src:             'src/formats/gaussformat.cpp:681,37'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:682,37'
          Dst:             _ZN9OpenBabel12OBMatrixData7SetDataENS_9matrix3x3E
        - Src:             'src/formats/gaussformat.cpp:682,19'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/gaussformat.cpp:683,37'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:684,23'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:685,17'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/gaussformat.cpp:685,17'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/gaussformat.cpp:688,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:694,24'
          Dst:             __isoc99_sscanf
        - Src:             'src/formats/gaussformat.cpp:698,61'
          Dst:             _ZN9OpenBabel12OBMatrixDataC2Ev
        - Src:             'src/formats/gaussformat.cpp:706,29'
          Dst:             _ZN9OpenBabel9matrix3x3C2EPA3_d
        - Src:             'src/formats/gaussformat.cpp:708,27'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/formats/gaussformat.cpp:710,27'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:712,31'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:713,31'
          Dst:             _ZN9OpenBabel12OBMatrixData7SetDataENS_9matrix3x3E
        - Src:             'src/formats/gaussformat.cpp:713,19'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/gaussformat.cpp:714,31'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:715,23'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:716,17'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/gaussformat.cpp:716,17'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/gaussformat.cpp:719,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:720,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:721,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:733,21'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/formats/gaussformat.cpp:735,21'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:737,39'
          Dst:             _ZN9OpenBabel9OBPchargeC2Ev
        - Src:             'src/formats/gaussformat.cpp:742,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:744,20'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:746,36'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:746,28'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/gaussformat.cpp:749,40'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:749,23'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/formats/gaussformat.cpp:750,33'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:752,17'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:755,37'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:757,27'
          Dst:             _ZN9OpenBabel9OBPcharge16AddPartialChargeENSt3__16vectorIdNS1_9allocatorIdEEEE
        - Src:             'src/formats/gaussformat.cpp:758,27'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:759,27'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:760,21'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:764,84'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:767,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:768,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:776,21'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/formats/gaussformat.cpp:778,21'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:780,21'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/formats/gaussformat.cpp:782,21'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:784,40'
          Dst:             _ZN9OpenBabel9OBPchargeC2Ev
        - Src:             'src/formats/gaussformat.cpp:785,40'
          Dst:             _ZN9OpenBabel9OBPchargeC2Ev
        - Src:             'src/formats/gaussformat.cpp:790,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:792,20'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:794,36'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:794,28'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/gaussformat.cpp:797,40'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:797,23'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/formats/gaussformat.cpp:798,33'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:799,33'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:801,17'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:804,37'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:805,37'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:807,28'
          Dst:             _ZN9OpenBabel9OBPcharge16AddPartialChargeENSt3__16vectorIdNS1_9allocatorIdEEEE
        - Src:             'src/formats/gaussformat.cpp:808,28'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:809,28'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:810,22'
          Dst:             _ZN9OpenBabel9OBPcharge16AddPartialChargeENSt3__16vectorIdNS1_9allocatorIdEEEE
        - Src:             'src/formats/gaussformat.cpp:811,22'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:812,22'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:813,21'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:814,21'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:818,85'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:821,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:825,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:828,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:830,25'
          Dst:             _ZN9OpenBabel10OBFreeGridC2Ev
        - Src:             'src/formats/gaussformat.cpp:833,31'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:833,51'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:834,31'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:833,22'
          Dst:             _ZN9OpenBabel10OBFreeGrid8AddPointEdddd
        - Src:             'src/formats/gaussformat.cpp:839,26'
          Dst:             __isoc99_sscanf
        - Src:             'src/formats/gaussformat.cpp:841,26'
          Dst:             _ZN9OpenBabel10OBFreeGrid8AddPointEdddd
        - Src:             'src/formats/gaussformat.cpp:845,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:848,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:850,25'
          Dst:             _ZN9OpenBabel10OBFreeGridC2Ev
        - Src:             'src/formats/gaussformat.cpp:853,31'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:853,51'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:854,31'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:853,22'
          Dst:             _ZN9OpenBabel10OBFreeGrid8AddPointEdddd
        - Src:             'src/formats/gaussformat.cpp:859,26'
          Dst:             __isoc99_sscanf
        - Src:             'src/formats/gaussformat.cpp:861,26'
          Dst:             _ZN9OpenBabel10OBFreeGrid8AddPointEdddd
        - Src:             'src/formats/gaussformat.cpp:865,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:876,23'
          Dst:             _ZN9OpenBabel10OBFreeGrid9NumPointsEv
        - Src:             'src/formats/gaussformat.cpp:877,25'
          Dst:             _ZN9OpenBabel10OBFreeGrid11BeginPointsEv
        - Src:             'src/formats/gaussformat.cpp:879,28'
          Dst:             _ZN9OpenBabel10OBFreeGrid10BeginPointERNSt3__111__wrap_iterIPPNS_15OBFreeGridPointEEE
        - Src:             'src/formats/gaussformat.cpp:882,17'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:885,31'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:885,26'
          Dst:             _ZN9OpenBabel15OBFreeGridPoint4SetVEd
        - Src:             'src/formats/gaussformat.cpp:879,73'
          Dst:             _ZN9OpenBabel10OBFreeGrid9NextPointERNSt3__111__wrap_iterIPPNS_15OBFreeGridPointEEE
        - Src:             'src/formats/gaussformat.cpp:893,26'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:894,26'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:895,25'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:900,45'
          Dst:             _ZN9OpenBabel10OBFreeGrid9NumPointsEv
        - Src:             'src/formats/gaussformat.cpp:905,22'
          Dst:             _ZN9OpenBabel10OBFreeGrid5ClearEv
        - Src:             'src/formats/gaussformat.cpp:908,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:912,21'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/formats/gaussformat.cpp:914,21'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:916,34'
          Dst:             _ZN9OpenBabel9OBPchargeC2Ev
        - Src:             'src/formats/gaussformat.cpp:921,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:923,20'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:925,36'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:925,28'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/gaussformat.cpp:928,40'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:928,23'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/formats/gaussformat.cpp:929,33'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:931,17'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:933,37'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:935,22'
          Dst:             _ZN9OpenBabel9OBPcharge16AddPartialChargeENSt3__16vectorIdNS1_9allocatorIdEEEE
        - Src:             'src/formats/gaussformat.cpp:936,22'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:937,22'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/gaussformat.cpp:938,21'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:942,79'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:945,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:953,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:955,20'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:957,36'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:957,28'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/gaussformat.cpp:960,40'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:960,23'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/formats/gaussformat.cpp:963,17'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:966,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:969,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:971,35'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:975,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:977,35'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:980,14'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:981,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:983,41'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:986,20'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:990,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:995,19'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:996,19'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:997,19'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1000,32'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/gaussformat.cpp:1000,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/gaussformat.cpp:1000,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/gaussformat.cpp:1002,32'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/gaussformat.cpp:1002,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/gaussformat.cpp:1002,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/gaussformat.cpp:1004,32'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/gaussformat.cpp:1004,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/gaussformat.cpp:1004,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/gaussformat.cpp:1009,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1018,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1020,14'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1022,19'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1024,19'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1029,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1030,23'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:1033,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1035,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1038,33'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1041,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1043,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1046,21'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:1047,21'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:1050,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1060,19'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1063,34'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1064,34'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1069,40'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1071,19'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1073,34'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1073,75'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1060,19'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1063,34'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1064,34'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1069,40'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1071,19'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1073,34'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1073,75'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1088,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1088,45'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1091,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1092,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1098,34'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1103,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1106,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1108,33'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1109,28'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1114,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1119,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1121,24'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1124,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1127,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1130,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1132,24'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1135,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1138,17'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1141,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1143,24'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1146,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1150,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1157,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1159,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1162,36'
          Dst:             atoi
        - Src:             'src/formats/gaussformat.cpp:1162,28'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/gaussformat.cpp:1163,44'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/formats/gaussformat.cpp:1164,27'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:1167,27'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/gaussformat.cpp:1169,23'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/gaussformat.cpp:1172,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1174,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1175,27'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1175,17'
          Dst:             _ZN9OpenBabel5OBMol9SetEnergyEd
        - Src:             'src/formats/gaussformat.cpp:1176,40'
          Dst:             _ZNK9OpenBabel5OBMol9GetEnergyEv
        - Src:             'src/formats/gaussformat.cpp:1191,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1193,13'
          Dst:             _ZN9OpenBabelL26add_unique_pairdata_to_molEPNS_5OBMolENSt3__112basic_stringIcNS2_11char_traitsIcEENS2_9allocatorIcEEEES8_i
        - Src:             'src/formats/gaussformat.cpp:1195,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1197,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1198,20'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1201,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1203,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1204,21'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1207,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1209,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1210,21'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1213,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1217,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1222,28'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1228,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1231,41'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1234,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1237,41'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1240,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1243,41'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1246,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1247,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1249,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1250,29'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1252,18'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1263,21'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1263,21'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1263,21'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1263,21'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1263,21'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1263,21'
          Dst:             strstr
        - Src:             'src/formats/gaussformat.cpp:1265,21'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/gaussformat.cpp:1266,26'
          Dst:             atof
        - Src:             'src/formats/gaussformat.cpp:1275,13'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/gaussformat.cpp:1286,11'
          Dst:             _ZN9OpenBabelL14extract_thermoEPNS_5OBMolENSt3__112basic_stringIcNS2_11char_traitsIcEENS2_9allocatorIcEEEEddddddiNS2_6vectorIdNS6_IdEEEE
        - Src:             'src/formats/gaussformat.cpp:1293,33'
          Dst:             _ZN9OpenBabel13OBOrbitalDataC2Ev
        - Src:             'src/formats/gaussformat.cpp:1295,15'
          Dst:             _ZN9OpenBabel13OBOrbitalData23LoadClosedShellOrbitalsENSt3__16vectorIdNS1_9allocatorIdEEEENS2_INS1_12basic_stringIcNS1_11char_traitsIcEENS3_IcEEEENS3_ISA_EEEEj
        - Src:             'src/formats/gaussformat.cpp:1320,19'
          Dst:             _ZN9OpenBabel13OBOrbitalData17LoadAlphaOrbitalsENSt3__16vectorIdNS1_9allocatorIdEEEENS2_INS1_12basic_stringIcNS1_11char_traitsIcEENS3_IcEEEENS3_ISA_EEEEj
        - Src:             'src/formats/gaussformat.cpp:1321,19'
          Dst:             _ZN9OpenBabel13OBOrbitalData16LoadBetaOrbitalsENSt3__16vectorIdNS1_9allocatorIdEEEENS2_INS1_12basic_stringIcNS1_11char_traitsIcEENS3_IcEEEENS3_ISA_EEEEj
        - Src:             'src/formats/gaussformat.cpp:1324,13'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
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          Dst:             atof
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          Dst:             strstr
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          Dst:             strstr
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          Dst:             strstr
        - Src:             'src/formats/mopacformat.cpp:314,36'
          Dst:             atoi
        - Src:             'src/formats/mopacformat.cpp:314,28'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/mopacformat.cpp:316,42'
          Dst:             atof
        - Src:             'src/formats/mopacformat.cpp:316,25'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/formats/mopacformat.cpp:317,35'
          Dst:             atof
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          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/mopacformat.cpp:324,18'
          Dst:             strstr
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          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
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          Dst:             strstr
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          Dst:             atoi
        - Src:             'src/formats/mopacformat.cpp:336,28'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/mopacformat.cpp:338,42'
          Dst:             atof
        - Src:             'src/formats/mopacformat.cpp:338,25'
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        - Src:             'src/formats/mopacformat.cpp:339,35'
          Dst:             atof
        - Src:             'src/formats/mopacformat.cpp:343,17'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/mopacformat.cpp:347,35'
          Dst:             strstr
        - Src:             'src/formats/mopacformat.cpp:353,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
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          Dst:             _ZN9OpenBabel12OBVectorDataC2Ev
        - Src:             'src/formats/mopacformat.cpp:359,19'
          Dst:             atof
        - Src:             'src/formats/mopacformat.cpp:360,19'
          Dst:             atof
        - Src:             'src/formats/mopacformat.cpp:361,19'
          Dst:             atof
        - Src:             'src/formats/mopacformat.cpp:362,29'
          Dst:             _ZN9OpenBabel12OBVectorData7SetDataEddd
        - Src:             'src/formats/mopacformat.cpp:363,29'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mopacformat.cpp:364,29'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
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          Dst:             strstr
        - Src:             'src/formats/mopacformat.cpp:376,39'
          Dst:             strstr
        - Src:             'src/formats/mopacformat.cpp:382,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/mopacformat.cpp:384,37'
          Dst:             atof
        - Src:             'src/formats/mopacformat.cpp:397,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/mopacformat.cpp:403,29'
          Dst:             atof
        - Src:             'src/formats/mopacformat.cpp:407,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/mopacformat.cpp:409,29'
          Dst:             atof
        - Src:             'src/formats/mopacformat.cpp:414,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/mopacformat.cpp:416,29'
          Dst:             atof
        - Src:             'src/formats/mopacformat.cpp:423,60'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/mopacformat.cpp:423,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/mopacformat.cpp:423,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/mopacformat.cpp:428,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/mopacformat.cpp:432,39'
          Dst:             strstr
        - Src:             'src/formats/mopacformat.cpp:435,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/mopacformat.cpp:439,34'
          Dst:             atof
        - Src:             'src/formats/mopacformat.cpp:444,13'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mopacformat.cpp:449,17'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mopacformat.cpp:450,11'
          Dst:             _ZN9OpenBabel5OBMol14ConnectTheDotsEv
        - Src:             'src/formats/mopacformat.cpp:451,17'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mopacformat.cpp:452,20'
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        - _ZN9OpenBabel15OBVibrationData7SetDataERKNSt3__16vectorINS2_INS_7vector3ENS1_9allocatorIS3_EEEENS4_IS6_EEEERKNS2_IdNS4_IdEEEESE_
        - _ZN9OpenBabel15OBVibrationDataC2Ev
        - _ZN9OpenBabel3dotERKNS_7vector3ES2_
        - _ZN9OpenBabel5OBMol14ConnectTheDotsEv
        - _ZN9OpenBabel5OBMol18PerceiveBondOrdersEv
        - _ZN9OpenBabel5OBMol7NewAtomEv
        - _ZN9OpenBabel5OBMol9SetEnergyEd
        - _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - _ZN9OpenBabel6OBBase12CastAndClearINS_5OBMolEEEPT_b
        - _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - _ZN9OpenBabel7vector33SetEddd
        - _ZN9OpenBabel7vector3C2ERKS0_
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel7vector3aSERKS0_
        - _ZN9OpenBabel7vector3mLERKd
        - _ZN9OpenBabel7vector3pLERKS0_
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - _ZN9OpenBabel9OBDOSData7SetDataEdRKNSt3__16vectorIdNS1_9allocatorIdEEEES7_S7_
        - _ZN9OpenBabel9OBDOSDataC2Ev
        - _ZN9OpenBabel9matrix3x36SetRowEiRKNS_7vector3E
        - _ZN9OpenBabel9matrix3x3C2Ev
        - _ZN9OpenBabel9matrix3x3D2Ev
        - _ZN9OpenBabeldvERKNS_7vector3ERKd
        - _ZN9OpenBabelmiERKNS_7vector3ES2_
        - _ZN9OpenBabelmlERKNS_9matrix3x3ERKNS_7vector3E
        - _ZNK9OpenBabel12OBConversion11GetInStreamEv
        - _ZNK9OpenBabel12OBConversion13GetInFilenameEv
        - _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom13GetAtomicMassEv
        - _ZNK9OpenBabel7vector33endEv
        - _ZNK9OpenBabel7vector35beginEv
        - _ZNK9OpenBabel9matrix3x39transposeEv
        - atof
        - atoi
        - isalpha
        - snprintf
        - sqrt
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      functionUses:    0
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel6OBBase12CastAndClearINS_5OBMolEEEPT_b
        - Src:             'src/formats/vaspformat.cpp:156,28'
          Dst:             _ZNK9OpenBabel12OBConversion11GetInStreamEv
        - Src:             'src/formats/vaspformat.cpp:181,19'
          Dst:             _ZNK9OpenBabel12OBConversion13GetInFilenameEv
        - Src:             'src/formats/vaspformat.cpp:192,38'
          Dst:             _ZNK9OpenBabel12OBConversion13GetInFilenameEv
        - Src:             'src/formats/vaspformat.cpp:210,13'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:213,5'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:214,9'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:215,9'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:216,9'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:217,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/vaspformat.cpp:220,5'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:221,9'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:222,9'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:223,9'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:224,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/vaspformat.cpp:227,5'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:228,9'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:229,9'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:230,9'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:231,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/vaspformat.cpp:234,28'
          Dst:             _ZN9OpenBabel10OBUnitCellC2Ev
        - Src:             'src/formats/vaspformat.cpp:235,19'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/vaspformat.cpp:235,26'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/vaspformat.cpp:235,33'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/vaspformat.cpp:235,11'
          Dst:             _ZN9OpenBabel10OBUnitCell7SetDataENS_7vector3ES1_S1_
        - Src:             'src/formats/vaspformat.cpp:235,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:235,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:235,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:236,11'
          Dst:             _ZN9OpenBabel10OBUnitCell13SetSpaceGroupEi
        - Src:             'src/formats/vaspformat.cpp:237,11'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/vaspformat.cpp:246,5'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:250,13'
          Dst:             isalpha
        - Src:             'src/formats/vaspformat.cpp:235,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:235,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:235,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:268,29'
          Dst:             _ZN9OpenBabel10OBElements12GetAtomicNumEPKc
        - Src:             'src/formats/vaspformat.cpp:272,7'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:277,13'
          Dst:             strstr
        - Src:             'src/formats/vaspformat.cpp:288,31'
          Dst:             _ZN9OpenBabel10OBElements12GetAtomicNumEPKc
        - Src:             'src/formats/vaspformat.cpp:298,26'
          Dst:             atoi
        - Src:             'src/formats/vaspformat.cpp:348,7'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:349,20'
          Dst:             _ZN9OpenBabel5OBMol7NewAtomEv
        - Src:             'src/formats/vaspformat.cpp:350,13'
          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/vaspformat.cpp:351,11'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:352,11'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:353,11'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:354,15'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/vaspformat.cpp:356,47'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/vaspformat.cpp:356,24'
          Dst:             _ZN9OpenBabel10OBUnitCell21FractionalToCartesianENS_7vector3E
        - Src:             'src/formats/vaspformat.cpp:356,16'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/formats/vaspformat.cpp:356,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:356,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:356,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:358,19'
          Dst:             _ZN9OpenBabel7vector3mLERKd
        - Src:             'src/formats/vaspformat.cpp:359,13'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/formats/vaspformat.cpp:368,18'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/formats/vaspformat.cpp:369,13'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/vaspformat.cpp:370,13'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/vaspformat.cpp:371,13'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/vaspformat.cpp:372,15'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/vaspformat.cpp:376,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:376,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:384,28'
          Dst:             _ZN9OpenBabel9OBDOSDataC2Ev
        - Src:             'src/formats/vaspformat.cpp:396,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:397,17'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:405,9'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:406,28'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:407,29'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:408,31'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:412,14'
          Dst:             _ZN9OpenBabel9OBDOSData7SetDataEdRKNSt3__16vectorIdNS1_9allocatorIdEEEES7_S7_
        - Src:             'src/formats/vaspformat.cpp:413,15'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/vaspformat.cpp:420,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/vaspformat.cpp:422,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/vaspformat.cpp:429,13'
          Dst:             strstr
        - Src:             'src/formats/vaspformat.cpp:431,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:432,25'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:433,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:437,13'
          Dst:             strstr
        - Src:             'src/formats/vaspformat.cpp:438,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:439,27'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:439,17'
          Dst:             _ZN9OpenBabel5OBMol9SetEnergyEd
        - Src:             'src/formats/vaspformat.cpp:443,13'
          Dst:             strstr
        - Src:             'src/formats/vaspformat.cpp:450,19'
          Dst:             strstr
        - Src:             'src/formats/vaspformat.cpp:452,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:456,37'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:457,24'
          Dst:             strstr
        - Src:             'src/formats/vaspformat.cpp:459,38'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:466,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:469,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:470,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:471,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:472,29'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/vaspformat.cpp:472,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:474,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:472,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:481,13'
          Dst:             strstr
        - Src:             'src/formats/vaspformat.cpp:482,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:483,15'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:484,15'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:485,15'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:486,18'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/formats/vaspformat.cpp:488,13'
          Dst:             strstr
        - Src:             'src/formats/vaspformat.cpp:492,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:494,17'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:495,17'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:496,17'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:497,31'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/vaspformat.cpp:497,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:499,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:497,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:502,13'
          Dst:             strstr
        - Src:             'src/formats/vaspformat.cpp:507,11'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:509,23'
          Dst:             _ZN9OpenBabel9matrix3x3C2Ev
        - Src:             'src/formats/vaspformat.cpp:512,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:513,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:514,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:515,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:516,33'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/vaspformat.cpp:516,21'
          Dst:             _ZN9OpenBabel9matrix3x36SetRowEiRKNS_7vector3E
        - Src:             'src/formats/vaspformat.cpp:516,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:512,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:513,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:514,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:515,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:516,33'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/vaspformat.cpp:516,21'
          Dst:             _ZN9OpenBabel9matrix3x36SetRowEiRKNS_7vector3E
        - Src:             'src/formats/vaspformat.cpp:516,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:512,15'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:513,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:514,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:515,19'
          Dst:             atof
        - Src:             'src/formats/vaspformat.cpp:516,33'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/formats/vaspformat.cpp:516,21'
          Dst:             _ZN9OpenBabel9matrix3x36SetRowEiRKNS_7vector3E
        - Src:             'src/formats/vaspformat.cpp:516,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:516,15'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/vaspformat.cpp:520,13'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/formats/vaspformat.cpp:521,11'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/vaspformat.cpp:521,11'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/formats/vaspformat.cpp:522,20'
          Dst:             strstr
        - Src:             'src/formats/vaspformat.cpp:527,34'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/vaspformat.cpp:534,50'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/vaspformat.cpp:531,20'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/formats/vaspformat.cpp:535,51'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/formats/vaspformat.cpp:536,64'
          Dst:             _ZNK9OpenBabel7vector35beginEv
        - Src:             'src/formats/vaspformat.cpp:536,78'
          Dst:             _ZNK9OpenBabel7vector33endEv
        - Src:             'src/formats/vaspformat.cpp:538,32'
          Dst:             _ZNK9OpenBabel7vector33endEv
        - Src:             'src/formats/vaspformat.cpp:538,73'
          Dst:             _ZNK9OpenBabel7vector35beginEv
        - Src:             'src/formats/vaspformat.cpp:539,69'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/formats/vaspformat.cpp:539,79'
          Dst:             _ZN9OpenBabeldvERKNS_7vector3ERKd
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             snprintf
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          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
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          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
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          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'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/mmcifformat.cpp:986,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/mmcifformat.cpp:986,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/mmcifformat.cpp:984,70'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/formats/mmcifformat.cpp:984,64'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/mmcifformat.cpp:984,39'
          Dst:             _ZN9OpenBabel10OBUnitCell24WrapFractionalCoordinateENS_7vector3E
        - Src:             'src/formats/mmcifformat.cpp:983,39'
          Dst:             _ZN9OpenBabel10OBUnitCell21FractionalToCartesianENS_7vector3E
        - Src:             'src/formats/mmcifformat.cpp:983,22'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/formats/mmcifformat.cpp:983,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/mmcifformat.cpp:983,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/mmcifformat.cpp:983,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/mmcifformat.cpp:983,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/mmcifformat.cpp:983,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/mmcifformat.cpp:983,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/mmcifformat.cpp:986,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/mmcifformat.cpp:989,21'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mmcifformat.cpp:990,18'
          Dst:             _ZN9OpenBabel5OBMol14SetPeriodicMolEb
        - Src:             'src/formats/mmcifformat.cpp:992,43'
          Dst:             _ZN9OpenBabel5OBMol10BeginAtomsEv
        - Src:             'src/formats/mmcifformat.cpp:992,72'
          Dst:             _ZN9OpenBabel5OBMol8EndAtomsEv
        - Src:             'src/formats/mmcifformat.cpp:1009,20'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mmcifformat.cpp:995,62'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEPKc
        - Src:             'src/formats/mmcifformat.cpp:995,28'
          Dst:             __dynamic_cast
        - Src:             'src/formats/mmcifformat.cpp:1000,55'
          Dst:             _ZN9OpenBabel14OBPairTemplateIdEC2Ev
        - Src:             'src/formats/mmcifformat.cpp:1001,28'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/mmcifformat.cpp:1002,28'
          Dst:             _ZN9OpenBabel14OBPairTemplateIdE8SetValueEd
        - Src:             'src/formats/mmcifformat.cpp:1003,28'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/mmcifformat.cpp:1004,22'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/mmcifformat.cpp:1011,16'
          Dst:             _ZN9OpenBabel5OBMol14ConnectTheDotsEv
        - Src:             'src/formats/mmcifformat.cpp:1012,22'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/mmcifformat.cpp:1013,18'
          Dst:             _ZN9OpenBabel5OBMol18PerceiveBondOrdersEv
        - Src:             'src/formats/mmcifformat.cpp:1021,45'
          Dst:             _ZNK9OpenBabel10SpaceGroup14BeginTransformERNSt3__121__list_const_iteratorIPNS_11transform3dEPvEE
        - Src:             'src/formats/mmcifformat.cpp:1023,34'
          Dst:             _ZNK9OpenBabel11transform3d16DescribeAsStringEv
        - Src:             'src/formats/mmcifformat.cpp:1024,28'
          Dst:             _ZNK9OpenBabel10SpaceGroup13NextTransformERNSt3__121__list_const_iteratorIPNS_11transform3dEPvEE
        - Src:             'src/formats/mmcifformat.cpp:1027,22'
          Dst:             _ZN9OpenBabel4OBOp8FindTypeEPKc
        - Src:             'src/formats/mmcifformat.cpp:1037,6'
          Dst:             _ZN9OpenBabel10SpaceGroupD2Ev
        - Src:             'src/formats/mmcifformat.cpp:1037,6'
          Dst:             _ZN9OpenBabel10SpaceGroupD2Ev
        - Src:             'src/formats/mmcifformat.cpp:1039,12'
          Dst:             _ZN9OpenBabel5OBMol18SetChainsPerceivedEb
        - Src:             'src/formats/mmcifformat.cpp:1040,18'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/mmcifformat.cpp:1041,2'
          Dst:             _ZN9OpenBabel8CIFLexer5TokenD2Ev
        - Src:             'src/formats/mmcifformat.cpp:1041,2'
          Dst:             _ZN9OpenBabel8CIFLexer5TokenD2Ev
    - functionName:    _ZN9OpenBabel11mmCIFFormat13WriteMoleculeEPNS_6OBBaseEPNS_12OBConversionE
      functionSourceFile: '/src/openbabel/src/formats/mmcifformat.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1046
      functionLinenumberEnd: 1216
      functionDepth:   0
      returnType:      bool
      argCount:        3
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         335
      ICount:          1327
      EdgeCount:       467
      CyclomaticComplexity: 134
      functionsReached:
        - _ZN9OpenBabel10OBElements9GetSymbolEj
        - _ZN9OpenBabel10OBUnitCell13GetSpaceGroupEv
        - _ZN9OpenBabel10OBUnitCell4GetAEv
        - _ZN9OpenBabel10OBUnitCell4GetBEv
        - _ZN9OpenBabel10OBUnitCell4GetCEv
        - _ZN9OpenBabel10OBUnitCell7GetBetaEv
        - _ZN9OpenBabel10OBUnitCell8GetAlphaEv
        - _ZN9OpenBabel10OBUnitCell8GetGammaEv
        - _ZN9OpenBabel5OBMol10BeginAtomsEv
        - _ZN9OpenBabel5OBMol10GetFormulaEv
        - _ZN9OpenBabel5OBMol16GetSpacedFormulaEiPKcb
        - _ZN9OpenBabel5OBMol8EndAtomsEv
        - _ZN9OpenBabel6OBAtom10GetResidueEv
        - _ZN9OpenBabel6OBBase7GetDataEj
        - _ZN9OpenBabel6OBBase7HasDataEj
        - _ZN9OpenBabel9OBResidue6GetNumEv
        - _ZNK9OpenBabel10SpaceGroup11GetHallNameEv
        - _ZNK9OpenBabel10SpaceGroup13NextTransformERNSt3__121__list_const_iteratorIPNS_11transform3dEPvEE
        - _ZNK9OpenBabel10SpaceGroup14BeginTransformERNSt3__121__list_const_iteratorIPNS_11transform3dEPvEE
        - _ZNK9OpenBabel10SpaceGroup5GetIdEv
        - _ZNK9OpenBabel10SpaceGroup9GetHMNameEv
        - _ZNK9OpenBabel11transform3d16DescribeAsStringEv
        - _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - _ZNK9OpenBabel12OBConversion13GetInFilenameEv
        - _ZNK9OpenBabel5OBMol11NumResiduesEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom4GetXEv
        - _ZNK9OpenBabel6OBAtom4GetYEv
        - _ZNK9OpenBabel6OBAtom4GetZEv
        - _ZNK9OpenBabel9OBResidue11GetChainNumEv
        - _ZNK9OpenBabel9OBResidue7GetNameEv
        - _ZNK9OpenBabel9OBResidue9GetAtomIDEPNS_6OBAtomE
        - __dynamic_cast
        - snprintf
        - time
        - toupper
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/mmcifformat.cpp:1047,18'
          Dst:             __dynamic_cast
        - Src:             'src/formats/mmcifformat.cpp:1052,29'
          Dst:             _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - Src:             'src/formats/mmcifformat.cpp:1059,27'
          Dst:             toupper
        - Src:             'src/formats/mmcifformat.cpp:1062,57'
          Dst:             time
        - Src:             'src/formats/mmcifformat.cpp:1062,6'
          Dst:             snprintf
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        - Src:             'src/formats/pdbqtformat.cpp:163,16'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/pdbqtformat.cpp:171,9'
          Dst:             _ZN9OpenBabel5OBMol18SetChainsPerceivedEb
        - Src:             'src/formats/pdbqtformat.cpp:179,14'
          Dst:             strncmp
        - Src:             'src/formats/pdbqtformat.cpp:193,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/pdbqtformat.cpp:200,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/pdbqtformat.cpp:203,11'
          Dst:             strncmp
        - Src:             'src/formats/pdbqtformat.cpp:204,11'
          Dst:             strncmp
        - Src:             'src/formats/pdbqtformat.cpp:205,11'
          Dst:             strncmp
        - Src:             'src/formats/pdbqtformat.cpp:206,11'
          Dst:             strncmp
        - Src:             'src/formats/pdbqtformat.cpp:208,11'
          Dst:             strncmp
        - Src:             'src/formats/pdbqtformat.cpp:209,11'
          Dst:             strncmp
        - Src:             'src/formats/pdbqtformat.cpp:211,11'
          Dst:             strncmp
        - Src:             'src/formats/pdbqtformat.cpp:214,50'
          Dst:             strncmp
        - Src:             'src/formats/pdbqtformat.cpp:218,11'
          Dst:             strncmp
        - Src:             'src/formats/pdbqtformat.cpp:218,35'
          Dst:             strncmp
        - Src:             'src/formats/pdbqtformat.cpp:220,15'
          Dst:             _ZN9OpenBabelL15parseAtomRecordEPcRNS_5OBMolEi
        - Src:             'src/formats/pdbqtformat.cpp:226,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/formats/pdbqtformat.cpp:230,12'
          Dst:             strncmp
        - Src:             'src/formats/pdbqtformat.cpp:230,40'
          Dst:             strncmp
        - Src:             'src/formats/pdbqtformat.cpp:0,0'
          Dst:             _ZN9OpenBabel5OBMol8SetTitleERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/pdbqtformat.cpp:267,7'
          Dst:             _ZN9OpenBabel4TrimERNSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEE
        - Src:             'src/formats/pdbqtformat.cpp:271,16'
          Dst:             _ZN9OpenBabel6OBBase7HasDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/pdbqtformat.cpp:273,18'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/formats/pdbqtformat.cpp:274,13'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/pdbqtformat.cpp:275,13'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/pdbqtformat.cpp:276,13'
          Dst:             _ZN9OpenBabel13OBGenericData9SetOriginENS_10DataOriginE
        - Src:             'src/formats/pdbqtformat.cpp:277,13'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/formats/pdbqtformat.cpp:282,43'
          Dst:             _ZN9OpenBabel6OBBase7GetDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/pdbqtformat.cpp:286,13'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/pdbqtformat.cpp:290,14'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/pdbqtformat.cpp:296,12'
          Dst:             _ZN9OpenBabel13OBResidueData11AssignBondsERNS_5OBMolE
        - Src:             'src/formats/pdbqtformat.cpp:301,41'
          Dst:             _ZN9OpenBabel6OBBase10GetAllDataEj
        - Src:             'src/formats/pdbqtformat.cpp:302,9'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataERNSt3__16vectorIPNS_13OBGenericDataENS1_9allocatorIS4_EEEE
        - Src:             'src/formats/pdbqtformat.cpp:304,17'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/pdbqtformat.cpp:304,61'
          Dst:             _ZN9OpenBabel5OBMol14ConnectTheDotsEv
        - Src:             'src/formats/pdbqtformat.cpp:304,83'
          Dst:             _ZN9OpenBabel5OBMol18PerceiveBondOrdersEv
        - Src:             'src/formats/pdbqtformat.cpp:306,9'
          Dst:             _ZN9OpenBabel5OBMol18SetChainsPerceivedEb
        - Src:             'src/formats/pdbqtformat.cpp:309,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/pdbqtformat.cpp:309,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/pdbqtformat.cpp:309,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/pdbqtformat.cpp:310,7'
          Dst:             _ZN9OpenBabel36OBAtomAssignTypicalImplicitHydrogensEPNS_6OBAtomE
        - Src:             'src/formats/pdbqtformat.cpp:322,9'
          Dst:             _ZN9OpenBabel5OBMol26SetPartialChargesPerceivedEb
    - functionName:    _ZN9OpenBabel11PDBQTFormat13WriteMoleculeEPNS_6OBBaseEPNS_12OBConversionE
      functionSourceFile: '/src/openbabel/src/formats/pdbqtformat.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 837
      functionLinenumberEnd: 1055
      functionDepth:   0
      returnType:      bool
      argCount:        3
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         304
      ICount:          1280
      EdgeCount:       540
      CyclomaticComplexity: 238
      functionsReached:
        - _ZN9OpenBabel10OBElements9GetSymbolEj
        - _ZN9OpenBabel12OBConversion6IsLastEv
        - _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - _ZN9OpenBabel15OBAromaticTyper19AssignAromaticFlagsERNS_5OBMolE
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - _ZN9OpenBabel5OBMol10BeginBondsEv
        - _ZN9OpenBabel5OBMol14ConnectTheDotsEv
        - _ZN9OpenBabel5OBMol18PerceiveBondOrdersEv
        - _ZN9OpenBabel5OBMol20HasAromaticPerceivedEv
        - _ZN9OpenBabel5OBMol20SetAromaticPerceivedEb
        - _ZN9OpenBabel5OBMol25SetAutomaticPartialChargeEb
        - _ZN9OpenBabel5OBMol8EndBondsEv
        - _ZN9OpenBabel5OBMol9TranslateERKNS_7vector3E
        - _ZN9OpenBabel5OBMolC2ERKS0_
        - _ZN9OpenBabel5OBMolD2Ev
        - _ZN9OpenBabel6OBAtom10GetResidueEv
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZN9OpenBabel6branch9all_atomsERNS_5OBMolE
        - _ZN9OpenBabel6branchC2Ev
        - _ZN9OpenBabel6branchD2Ev
        - _ZN9OpenBabel7vector34SetXEd
        - _ZN9OpenBabel7vector34SetYEd
        - _ZN9OpenBabel7vector34SetZEd
        - _ZN9OpenBabel7vector3C2ERKS0_
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel9OBResidue6GetNumEv
        - _ZN9OpenBabelL10OutputTreeEPNS_12OBConversionERNS_5OBMolERNSt3__113basic_ostreamIcNS4_11char_traitsIcEEEERNS4_3mapIjNS_6branchENS4_4lessIjEENS4_9allocatorINS4_4pairIKjSB_EEEEEEjbb
        - _ZN9OpenBabelL13ConstructTreeERNSt3__13mapIjNS_6branchENS0_4lessIjEENS0_9allocatorINS0_4pairIKjS2_EEEEEENS0_6vectorINSC_IiNS5_IiEEEENS5_ISE_EEEEjRKNS_5OBMolEb
        - _ZN9OpenBabelL13FindFragmentsENS_5OBMolERNSt3__16vectorINS2_IiNS1_9allocatorIiEEEENS3_IS5_EEEE
        - _ZN9OpenBabelL13RotBond_countERNS_5OBMolE
        - _ZN9OpenBabelL15DeleteHydrogensERNS_5OBMolE
        - _ZN9OpenBabelL15IsRotBond_PDBQTEPNS_6OBBondE
        - _ZN9OpenBabelL25Separate_preserve_chargesERNS_5OBMolERNSt3__16vectorIS0_NS2_9allocatorIS0_EEEE
        - _ZN9OpenBabelL4IsInERKNSt3__16vectorIiNS0_9allocatorIiEEEEi
        - _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - _ZNK9OpenBabel12OBConversion14GetOutputIndexEv
        - _ZNK9OpenBabel5OBMol10GetResidueEi
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom4GetXEv
        - _ZNK9OpenBabel6OBAtom4GetYEv
        - _ZNK9OpenBabel6OBAtom4GetZEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel9OBResidue7GetNameEv
        - _ZNK9OpenBabel9OBResidue8GetChainEv
        - _ZNK9OpenBabel9OBResidue9GetAtomIDEPNS_6OBAtomE
        - _ZTWN9OpenBabel9aromtyperE
        - __dynamic_cast
        - isspace
        - qsort
        - snprintf
        - strlen
        - strncpy
        - toupper
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/formats/pdbqtformat.cpp:838,19'
          Dst:             __dynamic_cast
        - Src:             'src/formats/pdbqtformat.cpp:843,28'
          Dst:             _ZNK9OpenBabel12OBConversion12GetOutStreamEv
        - Src:             'src/formats/pdbqtformat.cpp:846,13'
          Dst:             _ZN9OpenBabel5OBMol20HasAromaticPerceivedEv
        - Src:             'src/formats/pdbqtformat.cpp:847,7'
          Dst:             _ZTWN9OpenBabel9aromtyperE
        - Src:             'src/formats/pdbqtformat.cpp:847,17'
          Dst:             _ZN9OpenBabel15OBAromaticTyper19AssignAromaticFlagsERNS_5OBMolE
        - Src:             'src/formats/pdbqtformat.cpp:850,16'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/pdbqtformat.cpp:850,61'
          Dst:             _ZN9OpenBabel5OBMol14ConnectTheDotsEv
        - Src:             'src/formats/pdbqtformat.cpp:850,83'
          Dst:             _ZN9OpenBabel5OBMol18PerceiveBondOrdersEv
        - Src:             'src/formats/pdbqtformat.cpp:852,17'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/pdbqtformat.cpp:852,78'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/pdbqtformat.cpp:853,18'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/pdbqtformat.cpp:856,11'
          Dst:             _ZN9OpenBabel5OBMol25SetAutomaticPartialChargeEb
        - Src:             'src/formats/pdbqtformat.cpp:861,7'
          Dst:             _ZN9OpenBabelL25Separate_preserve_chargesERNS_5OBMolERNSt3__16vectorIS0_NS2_9allocatorIS0_EEEE
        - Src:             'src/formats/pdbqtformat.cpp:870,18'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/pdbqtformat.cpp:873,28'
          Dst:             _ZNK9OpenBabel5OBMol10GetResidueEi
        - Src:             'src/formats/pdbqtformat.cpp:874,23'
          Dst:             _ZNK9OpenBabel9OBResidue7GetNameEv
        - Src:             'src/formats/pdbqtformat.cpp:876,24'
          Dst:             _ZNK9OpenBabel9OBResidue8GetChainEv
        - Src:             'src/formats/pdbqtformat.cpp:877,22'
          Dst:             _ZN9OpenBabel9OBResidue6GetNumEv
        - Src:             'src/formats/pdbqtformat.cpp:880,24'
          Dst:             _ZN9OpenBabel5OBMol25SetAutomaticPartialChargeEb
        - Src:             'src/formats/pdbqtformat.cpp:881,24'
          Dst:             _ZN9OpenBabel5OBMol20SetAromaticPerceivedEb
        - Src:             'src/formats/pdbqtformat.cpp:882,20'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/pdbqtformat.cpp:883,9'
          Dst:             _ZN9OpenBabelL15DeleteHydrogensERNS_5OBMolE
        - Src:             'src/formats/pdbqtformat.cpp:890,21'
          Dst:             _ZN9OpenBabel12OBConversion6IsLastEv
        - Src:             'src/formats/pdbqtformat.cpp:890,40'
          Dst:             _ZNK9OpenBabel12OBConversion14GetOutputIndexEv
        - Src:             'src/formats/pdbqtformat.cpp:892,30'
          Dst:             _ZNK9OpenBabel12OBConversion14GetOutputIndexEv
        - Src:             'src/formats/pdbqtformat.cpp:893,11'
          Dst:             snprintf
        - Src:             'src/formats/pdbqtformat.cpp:898,22'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/pdbqtformat.cpp:901,24'
          Dst:             _ZN9OpenBabelL13RotBond_countERNS_5OBMolE
        - Src:             'src/formats/pdbqtformat.cpp:907,38'
          Dst:             _ZN9OpenBabel5OBMol10BeginBondsEv
        - Src:             'src/formats/pdbqtformat.cpp:907,62'
          Dst:             _ZN9OpenBabel5OBMol8EndBondsEv
        - Src:             'src/formats/pdbqtformat.cpp:918,11'
          Dst:             qsort
        - Src:             'src/formats/pdbqtformat.cpp:909,17'
          Dst:             _ZN9OpenBabelL15IsRotBond_PDBQTEPNS_6OBBondE
        - Src:             'src/formats/pdbqtformat.cpp:912,51'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/formats/pdbqtformat.cpp:913,51'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/formats/pdbqtformat.cpp:914,15'
          Dst:             qsort
        - Src:             'src/formats/pdbqtformat.cpp:923,13'
          Dst:             snprintf
        - Src:             'src/formats/pdbqtformat.cpp:928,94'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/pdbqtformat.cpp:928,34'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/pdbqtformat.cpp:928,15'
          Dst:             strncpy
        - Src:             'src/formats/pdbqtformat.cpp:929,19'
          Dst:             strlen
        - Src:             'src/formats/pdbqtformat.cpp:930,32'
          Dst:             toupper
        - Src:             'src/formats/pdbqtformat.cpp:931,64'
          Dst:             _ZN9OpenBabel6OBAtom10GetResidueEv
        - Src:             'src/formats/pdbqtformat.cpp:933,55'
          Dst:             _ZNK9OpenBabel9OBResidue9GetAtomIDEPNS_6OBAtomE
        - Src:             'src/formats/pdbqtformat.cpp:933,17'
          Dst:             snprintf
        - Src:             'src/formats/pdbqtformat.cpp:935,23'
          Dst:             isspace
        - Src:             'src/formats/pdbqtformat.cpp:937,74'
          Dst:             isspace
        - Src:             'src/formats/pdbqtformat.cpp:941,65'
          Dst:             isspace
        - Src:             'src/formats/pdbqtformat.cpp:942,55'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/pdbqtformat.cpp:941,15'
          Dst:             snprintf
        - Src:             'src/formats/pdbqtformat.cpp:928,94'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/formats/pdbqtformat.cpp:928,34'
          Dst:             _ZN9OpenBabel10OBElements9GetSymbolEj
        - Src:             'src/formats/pdbqtformat.cpp:928,15'
          Dst:             strncpy
        - Src:             'src/formats/pdbqtformat.cpp:929,19'
          Dst:             strlen
        - Src:             'src/formats/pdbqtformat.cpp:930,32'
          Dst:             toupper
        - Src:             'src/formats/pdbqtformat.cpp:931,64'
          Dst:             _ZN9OpenBabel6OBAtom10GetResidueEv
        - Src:             'src/formats/pdbqtformat.cpp:933,55'
          Dst:             _ZNK9OpenBabel9OBResidue9GetAtomIDEPNS_6OBAtomE
        - Src:             'src/formats/pdbqtformat.cpp:933,17'
          Dst:             snprintf
        - Src:             'src/formats/pdbqtformat.cpp:935,23'
          Dst:             isspace
        - Src:             'src/formats/pdbqtformat.cpp:937,74'
          Dst:             isspace
        - Src:             'src/formats/pdbqtformat.cpp:941,65'
          Dst:             isspace
        - Src:             'src/formats/pdbqtformat.cpp:942,55'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/formats/pdbqtformat.cpp:941,15'
          Dst:             snprintf
        - Src:             'src/formats/pdbqtformat.cpp:968,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/formats/pdbqtformat.cpp:968,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/formats/pdbqtformat.cpp:968,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/formats/pdbqtformat.cpp:977,24'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/pdbqtformat.cpp:977,24'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/formats/pdbqtformat.cpp:970,16'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/pdbqtformat.cpp:971,21'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/formats/pdbqtformat.cpp:972,16'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/pdbqtformat.cpp:973,21'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/formats/pdbqtformat.cpp:974,16'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/pdbqtformat.cpp:975,21'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/formats/pdbqtformat.cpp:979,16'
          Dst:             _ZN9OpenBabel7vector34SetXEd
        - Src:             'src/formats/pdbqtformat.cpp:981,16'
          Dst:             _ZN9OpenBabel7vector34SetYEd
        - Src:             'src/formats/pdbqtformat.cpp:983,16'
          Dst:             _ZN9OpenBabel7vector34SetZEd
        - Src:             'src/formats/pdbqtformat.cpp:987,24'
          Dst:             _ZN9OpenBabel5OBMol9TranslateERKNS_7vector3E
        - Src:             'src/formats/pdbqtformat.cpp:989,29'
          Dst:             _ZN9OpenBabel12OBConversion8IsOptionEPKcNS0_11Option_typeE
        - Src:             'src/formats/pdbqtformat.cpp:1001,38'
          Dst:             _ZN9OpenBabel5OBMolC2ERKS0_
        - Src:             'src/formats/pdbqtformat.cpp:1001,24'
          Dst:             _ZN9OpenBabelL13FindFragmentsENS_5OBMolERNSt3__16vectorINS2_IiNS1_9allocatorIiEEEENS3_IS5_EEEE
        - Src:             'src/formats/pdbqtformat.cpp:1001,9'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
        - Src:             'src/formats/pdbqtformat.cpp:1001,9'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
        - Src:             'src/formats/pdbqtformat.cpp:1009,15'
          Dst:             _ZN9OpenBabelL4IsInERKNSt3__16vectorIiNS0_9allocatorIiEEEEi
        - Src:             'src/formats/pdbqtformat.cpp:1011,9'
          Dst:             _ZN9OpenBabelL13ConstructTreeERNSt3__13mapIjNS_6branchENS0_4lessIjEENS0_9allocatorINS0_4pairIKjS2_EEEEEENS0_6vectorINSC_IiNS5_IiEEEENS5_ISE_EEEEjRKNS_5OBMolEb
        - Src:             'src/formats/pdbqtformat.cpp:1016,16'
          Dst:             _ZN9OpenBabel6branchC2Ev
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        - Src:             'src/formats/pqrformat.cpp:481,21'
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        - Src:             'src/formats/pqrformat.cpp:500,20'
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        - Src:             'src/formats/pqrformat.cpp:514,26'
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        - Src:             'src/formats/pqrformat.cpp:519,30'
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        - Src:             'src/formats/pqrformat.cpp:528,21'
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          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/formats/pqrformat.cpp:562,19'
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
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        - Src:             'src/formats/pqrformat.cpp:604,74'
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      BranchProfiles:  []
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        - Src:             'src/formats/pqrformat.cpp:280,9'
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        - Src:             'src/formats/pqrformat.cpp:288,21'
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        - Src:             'src/formats/pqrformat.cpp:289,21'
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          Dst:             isalpha
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          Dst:             isalpha
        - Src:             'src/formats/pqrformat.cpp:330,25'
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        - Src:             'src/formats/pqrformat.cpp:334,17'
          Dst:             isalpha
        - Src:             'src/formats/pqrformat.cpp:353,29'
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        - Src:             'src/formats/pqrformat.cpp:373,44'
          Dst:             isalpha
        - Src:             'src/formats/pqrformat.cpp:376,31'
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        - Src:             'src/formats/pqrformat.cpp:385,12'
          Dst:             _ZN9OpenBabel6OBAtomC2Ev
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          Dst:             atof
        - Src:             'src/formats/pqrformat.cpp:390,34'
          Dst:             atof
        - Src:             'src/formats/pqrformat.cpp:390,53'
          Dst:             atof
        - Src:             'src/formats/pqrformat.cpp:390,13'
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        - Src:             'src/formats/pqrformat.cpp:395,23'
          Dst:             _ZN9OpenBabel10OBElements12GetAtomicNumEPKc
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          Dst:             _ZN9OpenBabel6OBAtom12SetAtomicNumEi
        - Src:             'src/formats/pqrformat.cpp:399,27'
          Dst:             _ZNK9OpenBabel5OBMol11NumResiduesEv
        - Src:             'src/formats/pqrformat.cpp:399,66'
          Dst:             _ZNK9OpenBabel5OBMol11NumResiduesEv
        - Src:             'src/formats/pqrformat.cpp:399,51'
          Dst:             _ZNK9OpenBabel5OBMol10GetResidueEi
        - Src:             'src/formats/pqrformat.cpp:400,32'
          Dst:             _ZNK9OpenBabel9OBResidue7GetNameEv
        - Src:             'src/formats/pqrformat.cpp:401,17'
          Dst:             _ZN9OpenBabel9OBResidue12GetNumStringEv
        - Src:             'src/formats/pqrformat.cpp:404,24'
          Dst:             _ZN9OpenBabel5OBMol12BeginResidueERNSt3__111__wrap_iterIPPNS_9OBResidueEEE
        - Src:             'src/formats/pqrformat.cpp:405,20'
          Dst:             _ZNK9OpenBabel9OBResidue7GetNameEv
        - Src:             'src/formats/pqrformat.cpp:406,23'
          Dst:             _ZN9OpenBabel9OBResidue12GetNumStringEv
        - Src:             'src/formats/pqrformat.cpp:407,40'
          Dst:             _ZNK9OpenBabel9OBResidue8GetChainEv
        - Src:             'src/formats/pqrformat.cpp:404,59'
          Dst:             _ZN9OpenBabel5OBMol11NextResidueERNSt3__111__wrap_iterIPPNS_9OBResidueEEE
        - Src:             'src/formats/pqrformat.cpp:412,23'
          Dst:             _ZN9OpenBabel5OBMol10NewResidueEv
        - Src:             'src/formats/pqrformat.cpp:413,18'
          Dst:             _ZN9OpenBabel9OBResidue8SetChainEc
        - Src:             'src/formats/pqrformat.cpp:414,18'
          Dst:             _ZN9OpenBabel9OBResidue7SetNameERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/pqrformat.cpp:415,18'
          Dst:             _ZN9OpenBabel9OBResidue6SetNumENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/formats/pqrformat.cpp:419,14'
          Dst:             _ZN9OpenBabel5OBMol7AddAtomERNS_6OBAtomEb
        - Src:             'src/formats/pqrformat.cpp:423,40'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/pqrformat.cpp:423,28'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/pqrformat.cpp:425,14'
          Dst:             _ZN9OpenBabel9OBResidue7AddAtomEPNS_6OBAtomE
        - Src:             'src/formats/pqrformat.cpp:426,33'
          Dst:             atoi
        - Src:             'src/formats/pqrformat.cpp:426,14'
          Dst:             _ZN9OpenBabel9OBResidue12SetSerialNumEPNS_6OBAtomEj
        - Src:             'src/formats/pqrformat.cpp:427,14'
          Dst:             _ZN9OpenBabel9OBResidue9SetAtomIDEPNS_6OBAtomERKNSt3__112basic_stringIcNS3_11char_traitsIcEENS3_9allocatorIcEEEE
        - Src:             'src/formats/pqrformat.cpp:428,14'
          Dst:             _ZN9OpenBabel9OBResidue10SetHetAtomEPNS_6OBAtomEb
        - Src:             'src/formats/pqrformat.cpp:432,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/pqrformat.cpp:432,3'
          Dst:             _ZN9OpenBabel6OBAtomD2Ev
        - Src:             'src/formats/pqrformat.cpp:432,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/formats/pqrformat.cpp:432,3'
          Dst:             _ZN9OpenBabel6OBAtomD2Ev
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      argTypes:
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      constantsTouched: []
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      BranchProfiles:  []
      Callsites:
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        - Src:             'src/formats/pqrformat.cpp:207,36'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/formats/pqrformat.cpp:207,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/formats/pqrformat.cpp:0,0'
          Dst:             atof
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      returnType:      double
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      argTypes:
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      constantsTouched: []
      argNames:
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      ICount:          59
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          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
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          Dst:             _ZN9OpenBabel6OBAtom15IsAmideNitrogenEv
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          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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          Dst:             _ZN9OpenBabel6OBAtom17HasAlphaBetaUnsatEb
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          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
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          Dst:             _ZNK9OpenBabel6OBAtom16CountFreeOxygensEv
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          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
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          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/formats/tinkerformat.cpp:341,21'
          Dst:             _ZNK9OpenBabel6OBAtom16CountFreeOxygensEv
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          Dst:             _ZN9OpenBabel6OBAtom17CountBondsOfOrderEj
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          Dst:             _ZNK9OpenBabel6OBAtom16CountFreeOxygensEv
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          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
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          Dst:             _ZNK9OpenBabel6OBAtom19GetSpinMultiplicityEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
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          Dst:             _ZNK9OpenBabel6OBAtom16CountFreeOxygensEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
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          Dst:             _ZN9OpenBabel6OBAtom15IsAmideNitrogenEv
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          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
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          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
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          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
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          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
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          Dst:             _ZNK9OpenBabel6OBAtom16CountFreeOxygensEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
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          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/formats/tinkerformat.cpp:390,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
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          Dst:             _ZN9OpenBabel6OBAtom17IsPhosphateOxygenEv
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
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          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
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          Dst:             _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
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        - 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:1282,18'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1282,6'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1283,18'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1283,6'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1284,18'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1284,6'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1285,4'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldgaff.cpp:1285,4'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1285,4'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1286,16'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1287,16'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1288,21'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1288,11'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1288,51'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1288,41'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1288,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1288,73'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1288,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1288,103'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1289,19'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1290,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1290,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1290,25'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1290,86'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1290,99'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1290,76'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1291,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1291,8'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1294,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1294,13'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1298,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1298,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1299,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1299,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1301,21'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1301,11'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1301,51'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1301,41'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1301,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1301,73'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1301,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1301,103'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1302,19'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1303,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1303,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1303,25'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1303,86'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1303,99'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1303,76'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1304,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1304,8'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1307,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1307,13'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1311,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1311,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1312,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1312,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1314,21'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1314,11'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1314,51'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1314,41'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1314,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1314,73'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1314,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1314,103'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1315,19'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1316,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1316,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1316,25'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1316,86'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1316,99'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1316,76'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1317,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1317,8'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1320,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1320,13'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1324,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1324,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1325,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1325,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1327,21'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1327,11'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1327,51'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1327,41'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1327,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1327,73'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1327,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1327,103'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1328,19'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1329,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1329,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1329,25'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1329,86'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1329,99'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1329,76'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1330,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1330,8'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1333,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1333,13'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1337,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1337,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1338,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1338,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1340,21'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1340,11'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1340,51'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1340,41'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1340,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1340,73'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1340,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1340,103'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1341,19'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1342,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1342,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1342,25'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1342,86'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1342,99'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1342,76'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1343,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1343,8'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1346,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1346,13'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1350,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1350,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1351,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1351,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1353,21'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1353,11'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1353,51'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1353,41'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1353,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1353,73'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1353,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1353,103'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1354,19'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1355,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1355,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1355,25'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1355,86'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1355,99'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1355,76'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1356,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1356,8'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1359,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1359,13'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1363,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1363,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1364,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1364,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1366,21'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1366,11'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1366,51'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1366,41'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1366,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1366,73'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1366,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1366,103'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1367,19'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1368,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1368,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1368,25'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1368,86'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1368,99'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1368,76'
          Dst:             strcmp
        - Src:             'src/forcefields/forcefieldgaff.cpp:1369,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1369,8'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1372,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1372,13'
          Dst:             _ZNK9OpenBabel8OBBitVecixEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1376,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1376,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1377,28'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1377,16'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1382,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1382,15'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1396,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1397,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1399,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:1399,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1399,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1405,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1400,57'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1400,70'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1401,8'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1401,25'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1400,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1402,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1406,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1408,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:1408,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1408,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1409,53'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1409,66'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1409,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1410,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1419,14'
          Dst:             _ZN9OpenBabel8OBLocale13RestoreLocaleEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1422,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1422,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel16OBForceFieldGaff17SetPartialChargesEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldgaff.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1425
      functionLinenumberEnd: 1430
      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:     externalLinkage
      functionLinenumber: 523
      functionLinenumberEnd: 1058
      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:528,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:533,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:535,29'
          Dst:             _ZN9OpenBabel23OBFFBondCalculationGaffC2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:539,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:539,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:539,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:540,17'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:541,17'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:545,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:545,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:545,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:545,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:549,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:552,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:552,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:552,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:552,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:562,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:562,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:562,19'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:564,42'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:564,21'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:566,44'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:566,23'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:570,22'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:575,119'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:575,133'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:575,15'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:576,15'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:585,16'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:594,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:596,30'
          Dst:             _ZN9OpenBabel24OBFFAngleCalculationGaffC2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:600,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:600,5'
          Dst:             _ZNK9OpenBabel14OBMolAngleItercvbEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:600,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:601,25'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:601,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - 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:606,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:606,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:606,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:606,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:606,116'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:606,103'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:610,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:613,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:613,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:613,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:613,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:614,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:614,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:625,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:625,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:625,63'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:625,19'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:627,42'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:627,56'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:627,21'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:629,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:629,53'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:629,23'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:631,46'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:631,25'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:635,25'
          Dst:             _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:640,125'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:640,139'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:640,153'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:640,17'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:641,17'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:651,17'
          Dst:             _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:600,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterppEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:600,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:660,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:662,32'
          Dst:             _ZN9OpenBabel26OBFFTorsionCalculationGaffC2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:666,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:666,5'
          Dst:             _ZNK9OpenBabel16OBMolTorsionItercvbEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:666,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:667,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:667,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - 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:673,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:673,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:673,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:673,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - 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:678,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:681,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:681,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:681,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:681,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - 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:694,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:694,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:694,63'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:694,77'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:694,19'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:696,42'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:696,56'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:696,70'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:696,21'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:698,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:698,53'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:698,67'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:698,23'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:700,46'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:700,60'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:700,25'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:706,27'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:710,130'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:710,144'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:710,158'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:710,172'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:710,17'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:711,17'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:723,19'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:666,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterppEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:666,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:731,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:733,28'
          Dst:             _ZN9OpenBabel22OBFFOOPCalculationGaffC2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:737,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:737,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:737,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:744,7'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldgaff.cpp:744,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:744,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:744,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:744,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:744,7'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:744,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:758,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:758,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:758,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:758,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:759,31'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:759,18'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:759,70'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:759,57'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:763,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:766,35'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:766,23'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:766,75'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:766,63'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - 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:774,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:774,52'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:774,66'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:774,80'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:774,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:788,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:788,52'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:788,66'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:788,80'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:788,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:802,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:802,52'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:802,66'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:802,80'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:802,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:816,43'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:816,57'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:816,71'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:816,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:830,43'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:830,57'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:830,71'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:830,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:844,43'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:844,57'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:844,71'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:844,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:858,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:858,62'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:858,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:872,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:872,62'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:872,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:886,48'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:886,62'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:886,19'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15GetParameterOOPEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:0,0'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:906,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:908,28'
          Dst:             _ZN9OpenBabel22OBFFVDWCalculationGaffC2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:914,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:914,5'
          Dst:             _ZNK9OpenBabel13OBMolPairItercvbEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:914,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:915,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:915,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:916,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:916,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:919,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:919,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:919,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:919,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:924,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:927,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:927,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:927,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:927,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:931,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:931,37'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:931,97'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:931,85'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:933,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:933,37'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:933,97'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:933,85'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:941,37'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:941,21'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:947,121'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:947,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:948,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:955,37'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:955,21'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldgaff.cpp:961,121'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:961,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:962,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:974,34'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefieldgaff.cpp:977,14'
          Dst:             _ZN9OpenBabel6OBAtom9IsOneFourEPS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1001,15'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:914,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterppEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:914,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1010,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1012,38'
          Dst:             _ZN9OpenBabel32OBFFElectrostaticCalculationGaffC2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1016,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:1016,5'
          Dst:             _ZNK9OpenBabel13OBMolPairItercvbEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1016,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1058,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1058,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1058,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1058,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1058,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1058,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1017,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1017,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1018,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1018,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1021,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1021,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1021,77'
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1033,97'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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        - Src:             'src/forcefields/forcefieldgaff.cpp:1035,37'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:1035,97'
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        - Src:             'src/forcefields/forcefieldgaff.cpp:1035,85'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1043,69'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
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          Dst:             _ZN9OpenBabel6OBAtom9IsOneFourEPS0_
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          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
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          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
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          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1058,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1058,3'
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      Callsites:       []
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      ICount:          89
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      functionsReached:
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        - _ZN9OpenBabel16OBForceFieldGaff15E_ElectrostaticILb0EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff15E_ElectrostaticILb1EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff5E_OOPILb0EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff5E_OOPILb1EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff5E_VDWILb0EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff5E_VDWILb1EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff6E_BondILb0EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff6E_BondILb1EEEdv
        - _ZN9OpenBabel16OBForceFieldGaff7E_AngleILb0EEEdv
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          Dst:             _ZN9OpenBabel16OBForceFieldGaff6E_BondILb1EEEdv
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          Dst:             _ZN9OpenBabel16OBForceFieldGaff7E_AngleILb1EEEdv
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          Dst:             _ZN9OpenBabel16OBForceFieldGaff9E_TorsionILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1462,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff5E_OOPILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1463,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff5E_VDWILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1464,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15E_ElectrostaticILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1466,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff6E_BondILb0EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1467,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff7E_AngleILb0EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1468,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff9E_TorsionILb0EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1469,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff5E_OOPILb0EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1470,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff5E_VDWILb0EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1471,17'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15E_ElectrostaticILb0EEEdv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1475,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1476,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      ICount:          23
      EdgeCount:       7
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel16OBForceFieldGaff6E_BondILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.h:171,45'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff6E_BondILb0EEEdv
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel16OBForceFieldGaff7E_AngleILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.h:177,46'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff7E_AngleILb0EEEdv
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      functionsReached:
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        - _ZN9OpenBabel16OBForceFieldGaff9E_TorsionILb1EEEdv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel16OBForceFieldGaff9E_TorsionILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.h:183,48'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff9E_TorsionILb0EEEdv
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      BranchProfiles:  []
      Callsites:
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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
      CyclomaticComplexity: 3
      functionsReached:
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        - _ZN9OpenBabel16OBForceFieldGaff15E_ElectrostaticILb1EEEdv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel16OBForceFieldGaff15E_ElectrostaticILb1EEEdv
        - Src:             'src/forcefields/forcefieldgaff.h:201,54'
          Dst:             _ZN9OpenBabel16OBForceFieldGaff15E_ElectrostaticILb0EEEdv
    - functionName:    _ZN9OpenBabel16OBForceFieldGaff17ValidateGradientsEv
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      functionLinenumber: 1483
      functionLinenumberEnd: 1587
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      argTypes:
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      ICount:          765
      EdgeCount:       190
      CyclomaticComplexity: 86
      functionsReached:
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        - _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
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        - _ZN9OpenBabel7vector31yEv
        - _ZN9OpenBabel7vector31zEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1484,22'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1484,31'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1489,5'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1490,5'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1491,5'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1494,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldgaff.cpp:1494,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1494,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1587,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1587,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1587,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1495,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1498,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1498,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1498,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1500,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1501,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1501,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1501,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1503,122'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1503,140'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1503,153'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1503,166'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1504,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1504,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1504,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1504,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1504,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1504,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1503,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1505,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1508,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1508,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1508,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1511,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1512,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1512,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1512,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1514,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1514,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1514,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1515,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1515,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1515,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1515,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1515,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1515,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1514,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1516,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1518,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1518,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1518,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1522,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1522,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1522,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1525,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1526,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1526,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1526,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1528,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1528,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1528,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1529,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1529,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1529,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1529,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1529,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1529,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1528,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1530,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1531,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1531,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1531,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1535,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1535,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1535,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1538,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1539,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1539,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1539,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1541,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1541,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1541,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1542,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1542,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1542,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1542,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1542,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1542,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1541,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1543,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1544,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1544,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1544,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1548,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1548,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1548,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1551,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1552,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1552,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1552,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1554,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1554,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1554,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1555,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1555,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1555,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1555,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1555,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1555,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1554,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1556,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1560,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1560,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1560,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1563,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1564,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1564,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1564,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1566,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1566,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1566,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1567,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1567,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1567,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1567,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1567,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1567,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1566,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1568,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1569,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1569,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1569,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1573,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldgaff.cpp:1573,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1573,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1576,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldgaff.cpp:1577,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1577,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldgaff.cpp:1577,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1579,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1579,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1579,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1580,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1580,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1580,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1580,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1580,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1580,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1579,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:1581,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:1582,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1582,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1582,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:1587,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1587,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldgaff.cpp:1587,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel12OBForceField7OBFFLogEPKc
      functionSourceFile: '/src/openbabel/include/openbabel/forcefield.h'
      linkageType:     InternalLinkage
      functionLinenumber: 1033
      functionLinenumberEnd: 1038
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         6
      ICount:          24
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached: []
      functionUses:    501
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel16OBForceFieldGaff15E_ElectrostaticILb1EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldgaff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 449
      functionLinenumberEnd: 489
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         23
      ICount:          162
      EdgeCount:       30
      CyclomaticComplexity: 9
      functionsReached:
        - _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel32OBFFElectrostaticCalculationGaff7ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldgaff.cpp:454,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:455,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:456,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:457,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:465,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:468,19'
          Dst:             _ZN9OpenBabel32OBFFElectrostaticCalculationGaff7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldgaff.cpp:472,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:473,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:477,79'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:477,98'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:477,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:479,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:484,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:485,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel16OBForceFieldGaff15E_ElectrostaticILb0EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldgaff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 449
      functionLinenumberEnd: 489
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         23
      ICount:          150
      EdgeCount:       30
      CyclomaticComplexity: 9
      functionsReached:
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel32OBFFElectrostaticCalculationGaff7ComputeILb0EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldgaff.cpp:454,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:455,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:456,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:457,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:465,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldgaff.cpp:468,19'
          Dst:             _ZN9OpenBabel32OBFFElectrostaticCalculationGaff7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldgaff.cpp:477,79'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:477,98'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:477,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:479,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:484,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:485,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel32OBFFElectrostaticCalculationGaff7ComputeILb0EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldgaff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 425
      functionLinenumberEnd: 445
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         9
      ICount:          48
      EdgeCount:       11
      CyclomaticComplexity: 4
      functionsReached:
        - _ZN9OpenBabel10IsNearZeroERKdd
        - _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldgaff.cpp:426,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefieldgaff.cpp:438,13'
          Dst:             _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
        - Src:             'src/forcefields/forcefieldgaff.cpp:441,9'
          Dst:             _ZN9OpenBabel10IsNearZeroERKdd
    - functionName:    _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
      functionSourceFile: '/src/openbabel/include/openbabel/forcefield.h'
      linkageType:     InternalLinkage
      functionLinenumber: 1671
      functionLinenumberEnd: 1676
      functionDepth:   0
      returnType:      double
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         3
      ICount:          16
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
        - _ZN9OpenBabel12OBForceField12VectorLengthEPd
        - _ZN9OpenBabel12OBForceField14VectorSubtractEPdS1_S1_
      functionUses:    12
      BranchProfiles:  []
      Callsites:
        - Src:             'include/openbabel/forcefield.h:1673,7'
          Dst:             _ZN9OpenBabel12OBForceField14VectorSubtractEPdS1_S1_
        - Src:             'include/openbabel/forcefield.h:1674,26'
          Dst:             _ZN9OpenBabel12OBForceField12VectorLengthEPd
    - functionName:    _ZN9OpenBabel12OBForceField14VectorSubtractEPdS1_S1_
      functionSourceFile: '/src/openbabel/include/openbabel/forcefield.h'
      linkageType:     InternalLinkage
      functionLinenumber: 1581
      functionLinenumberEnd: 1584
      functionDepth:   0
      returnType:      void
      argCount:        3
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel22OBFFVDWCalculationGaff7ComputeILb0EEEvv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel22OBFFOOPCalculationGaff7ComputeILb1EEEvv
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          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:329,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
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          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:334,105'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:318,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel22OBFFOOPCalculationGaff7ComputeILb0EEEvv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:334,124'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:335,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel12OBForceField13VectorTorsionEPdS1_S1_S1_
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          Dst:             cos
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          Dst:             _ZN9OpenBabel12OBForceField23VectorTorsionDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
        - Src:             'src/forcefields/forcefieldgaff.cpp:288,27'
          Dst:             sin
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          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - 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:301,27'
          Dst:             cos
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      EdgeCount:       23
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        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel26OBFFTorsionCalculationGaff7ComputeILb1EEEvv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:214,7'
          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:221,19'
          Dst:             _ZN9OpenBabel26OBFFTorsionCalculationGaff7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldgaff.cpp:225,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - 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:232,105'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:232,124'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:233,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:233,44'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:232,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:234,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             snprintf
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             snprintf
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          Dst:             _ZN9OpenBabel12OBForceField23VectorTorsionDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
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          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldgaff.cpp:192,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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          Dst:             cos
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:144,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel24OBFFAngleCalculationGaff7ComputeILb1EEEvv
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          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:154,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:155,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:159,101'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             snprintf
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:167,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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        - Src:             'src/forcefields/forcefieldgaff.cpp:142,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:143,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:144,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:149,19'
          Dst:             _ZN9OpenBabel24OBFFAngleCalculationGaff7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldgaff.cpp:159,101'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:159,120'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:160,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:159,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:161,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:166,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:167,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      CyclomaticComplexity: 4
      functionsReached:
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          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiii
        - Src:             'src/forcefields/forcefieldgaff.cpp:122,15'
          Dst:             _ZN9OpenBabel12OBForceField11VectorAngleEPdS1_S1_
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      ICount:          68
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      CyclomaticComplexity: 4
      functionsReached:
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        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - _ZN9OpenBabel12OBForceField21VectorAngleDerivativeEPdS1_S1_S1_S1_S1_
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      BranchProfiles:  []
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        - Src:             'src/forcefields/forcefieldgaff.cpp:113,15'
          Dst:             _ZN9OpenBabel12OBForceField21VectorAngleDerivativeEPdS1_S1_S1_S1_S1_
        - Src:             'src/forcefields/forcefieldgaff.cpp:118,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldgaff.cpp:119,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldgaff.cpp:120,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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      functionsReached:
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        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel23OBFFBondCalculationGaff7ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:73,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:74,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:75,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:80,19'
          Dst:             _ZN9OpenBabel23OBFFBondCalculationGaff7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefieldgaff.cpp:84,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:85,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldgaff.cpp:89,98'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:89,117'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:89,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:91,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:96,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:97,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      functionsReached:
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        - _ZN9OpenBabel23OBFFBondCalculationGaff7ComputeILb0EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
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      BranchProfiles:  []
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        - Src:             'src/forcefields/forcefieldgaff.cpp:73,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:74,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:75,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:80,19'
          Dst:             _ZN9OpenBabel23OBFFBondCalculationGaff7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldgaff.cpp:89,98'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:89,117'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldgaff.cpp:89,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:91,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldgaff.cpp:96,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldgaff.cpp:97,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      functionsReached:
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          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefieldgaff.cpp:57,13'
          Dst:             _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
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      argTypes:
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      ICount:          51
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      functionsReached:
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        - Src:             'src/forcefields/forcefieldgaff.cpp:48,13'
          Dst:             _ZN9OpenBabel12OBForceField20VectorBondDerivativeEPdS1_S1_S1_
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          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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      argTypes:
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel16OBFFCalculation2C2Ev
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      argTypes:
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      ICount:          46
      EdgeCount:       10
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      functionsReached:
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        - _ZNK9OpenBabel6OBAtom6GetIdxEv
      functionUses:    14
      BranchProfiles:  []
      Callsites:
        - Src:             'include/openbabel/forcefield.h:159,18'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'include/openbabel/forcefield.h:160,18'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'include/openbabel/forcefield.h:161,18'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'include/openbabel/forcefield.h:162,18'
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        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _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
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldghemical.cpp:1043,10'
          Dst:             _ZN9OpenBabel5OBMol25SetAutomaticPartialChargeEb
        - Src:             'src/forcefields/forcefieldghemical.cpp:1044,10'
          Dst:             _ZN9OpenBabel5OBMol26SetPartialChargesPerceivedEb
        - Src:             'src/forcefields/forcefieldghemical.cpp:1047,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldghemical.cpp:1047,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1047,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1050,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldghemical.cpp:1050,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1050,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1048,13'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1051,17'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1052,17'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1053,24'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1055,20'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1056,20'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1060,34'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1060,14'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1061,34'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1063,34'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1063,14'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1064,34'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
    - functionName:    _ZN9OpenBabel20OBForceFieldGhemical17SetupCalculationsEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldghemical.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 423
      functionLinenumberEnd: 834
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         463
      ICount:          1913
      EdgeCount:       869
      CyclomaticComplexity: 408
      functionsReached:
        - _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - _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:640,7'
          Branch Sides:    []
      Callsites:
        - Src:             'src/forcefields/forcefieldghemical.cpp:428,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:433,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:435,33'
          Dst:             _ZN9OpenBabel27OBFFBondCalculationGhemicalC2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:440,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldghemical.cpp:440,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:440,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:441,17'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:442,17'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:445,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:445,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:445,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:445,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:449,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:452,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:452,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:452,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:452,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:459,24'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:460,17'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:467,53'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:467,67'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:467,19'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical20GetParameterGhemicalEiPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:469,63'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:469,21'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical20GetParameterGhemicalEiPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:471,65'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:471,23'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical20GetParameterGhemicalEiPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:475,22'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:480,119'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:480,133'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:480,15'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:481,15'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:490,16'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:499,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:501,34'
          Dst:             _ZN9OpenBabel28OBFFAngleCalculationGhemicalC2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:505,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldghemical.cpp:505,5'
          Dst:             _ZNK9OpenBabel14OBMolAngleItercvbEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:505,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:506,25'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:506,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - 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:511,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:511,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:511,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:511,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:511,116'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:511,103'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:515,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:518,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:518,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:518,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:518,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:519,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:519,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:530,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:530,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:530,63'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:530,19'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:532,45'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:532,59'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:532,21'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:534,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:534,53'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:534,23'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:536,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:536,25'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:540,25'
          Dst:             _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:545,125'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:545,139'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:545,153'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:545,17'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:546,17'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:556,17'
          Dst:             _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:505,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterppEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:505,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:565,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:567,36'
          Dst:             _ZN9OpenBabel30OBFFTorsionCalculationGhemicalC2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:573,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldghemical.cpp:573,5'
          Dst:             _ZNK9OpenBabel16OBMolTorsionItercvbEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:573,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:574,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:574,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:575,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:575,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:576,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:576,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:577,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:577,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:580,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:580,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:580,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:580,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:581,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:581,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:581,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:581,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:585,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:588,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:588,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:588,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:588,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:589,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:589,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:589,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:589,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:596,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldghemical.cpp:597,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:598,15'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:607,56'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:607,70'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:607,84'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:607,98'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:607,19'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical20GetParameterGhemicalEiPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:609,66'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:609,80'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:609,94'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:609,21'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical20GetParameterGhemicalEiPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:611,60'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:611,74'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:611,88'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:611,23'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical20GetParameterGhemicalEiPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:613,70'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:613,84'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:613,25'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical20GetParameterGhemicalEiPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:622,27'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:626,130'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:626,144'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:626,158'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:626,172'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:626,17'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:627,17'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:673,19'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:573,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterppEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:573,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:681,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:683,32'
          Dst:             _ZN9OpenBabel26OBFFVDWCalculationGhemicalC2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:688,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldghemical.cpp:688,5'
          Dst:             _ZNK9OpenBabel13OBMolPairItercvbEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:688,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:689,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:689,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:690,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:690,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:693,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:693,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:693,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:693,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:698,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:701,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:701,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:701,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:701,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:705,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:705,37'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:705,97'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:705,85'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:707,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:707,37'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:707,97'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:707,85'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:715,37'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:715,21'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:721,121'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:721,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:722,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:729,37'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:729,21'
          Dst:             _ZN9OpenBabel12OBForceField12GetParameterEPKcS2_S2_S2_RNSt3__16vectorINS_13OBFFParameterENS3_9allocatorIS5_EEEE
        - Src:             'src/forcefields/forcefieldghemical.cpp:735,121'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:735,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:736,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:748,34'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefieldghemical.cpp:751,14'
          Dst:             _ZN9OpenBabel6OBAtom9IsOneFourEPS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:774,53'
          Dst:             pow
        - Src:             'src/forcefields/forcefieldghemical.cpp:775,52'
          Dst:             pow
        - Src:             'src/forcefields/forcefieldghemical.cpp:776,15'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:688,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterppEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:688,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:785,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:787,42'
          Dst:             _ZN9OpenBabel36OBFFElectrostaticCalculationGhemicalC2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:791,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldghemical.cpp:791,5'
          Dst:             _ZNK9OpenBabel13OBMolPairItercvbEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:791,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:834,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:834,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:834,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:834,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:834,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:792,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:792,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:793,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:793,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:796,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:796,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:796,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:796,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:801,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:804,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:804,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:804,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:804,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:808,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:808,37'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:808,97'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:808,85'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:810,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:810,37'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:810,97'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:810,85'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldghemical.cpp:818,45'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:818,69'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:825,16'
          Dst:             _ZN9OpenBabel6OBAtom9IsOneFourEPS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:828,17'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:791,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterppEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:791,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:834,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:834,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:834,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:834,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:834,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
    - functionName:    _ZN9OpenBabel20OBForceFieldGhemical13SetupPointersEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldghemical.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 837
      functionLinenumberEnd: 849
      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:    _ZN9OpenBabel20OBForceFieldGhemical6EnergyEb
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldghemical.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1073
      functionLinenumberEnd: 1099
      functionDepth:   0
      returnType:      double
      argCount:        2
      argTypes:
        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         12
      ICount:          85
      EdgeCount:       15
      CyclomaticComplexity: 5
      functionsReached:
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel20OBForceFieldGhemical15E_ElectrostaticILb0EEEdv
        - _ZN9OpenBabel20OBForceFieldGhemical15E_ElectrostaticILb1EEEdv
        - _ZN9OpenBabel20OBForceFieldGhemical5E_VDWILb0EEEdv
        - _ZN9OpenBabel20OBForceFieldGhemical5E_VDWILb1EEEdv
        - _ZN9OpenBabel20OBForceFieldGhemical6E_BondILb0EEEdv
        - _ZN9OpenBabel20OBForceFieldGhemical6E_BondILb1EEEdv
        - _ZN9OpenBabel20OBForceFieldGhemical7E_AngleILb0EEEdv
        - _ZN9OpenBabel20OBForceFieldGhemical7E_AngleILb1EEEdv
        - _ZN9OpenBabel20OBForceFieldGhemical9E_TorsionILb0EEEdv
        - _ZN9OpenBabel20OBForceFieldGhemical9E_TorsionILb1EEEdv
        - snprintf
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldghemical.cpp:1077,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1081,17'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical6E_BondILb1EEEdv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1082,17'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical7E_AngleILb1EEEdv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1083,17'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical9E_TorsionILb1EEEdv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1084,17'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical5E_VDWILb1EEEdv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1085,17'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical15E_ElectrostaticILb1EEEdv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1087,17'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical6E_BondILb0EEEdv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1088,17'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical7E_AngleILb0EEEdv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1089,17'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical9E_TorsionILb0EEEdv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1090,17'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical5E_VDWILb0EEEdv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1091,17'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical15E_ElectrostaticILb0EEEdv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1095,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:1096,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel20OBForceFieldGhemical6E_BondEb
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldghemical.h'
      linkageType:     InternalLinkage
      functionLinenumber: 161
      functionLinenumberEnd: 162
      functionDepth:   0
      returnType:      double
      argCount:        2
      argTypes:
        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         6
      ICount:          23
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
        - _ZN9OpenBabel20OBForceFieldGhemical6E_BondILb0EEEdv
        - _ZN9OpenBabel20OBForceFieldGhemical6E_BondILb1EEEdv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldghemical.h:162,28'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical6E_BondILb1EEEdv
        - Src:             'src/forcefields/forcefieldghemical.h:162,45'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical6E_BondILb0EEEdv
    - functionName:    _ZN9OpenBabel20OBForceFieldGhemical7E_AngleEb
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldghemical.h'
      linkageType:     InternalLinkage
      functionLinenumber: 167
      functionLinenumberEnd: 168
      functionDepth:   0
      returnType:      double
      argCount:        2
      argTypes:
        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         6
      ICount:          23
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
        - _ZN9OpenBabel20OBForceFieldGhemical7E_AngleILb0EEEdv
        - _ZN9OpenBabel20OBForceFieldGhemical7E_AngleILb1EEEdv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldghemical.h:168,28'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical7E_AngleILb1EEEdv
        - Src:             'src/forcefields/forcefieldghemical.h:168,46'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical7E_AngleILb0EEEdv
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      functionLinenumberEnd: 174
      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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        - _ZN9OpenBabel20OBForceFieldGhemical9E_TorsionILb1EEEdv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldghemical.h:174,28'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical9E_TorsionILb1EEEdv
        - Src:             'src/forcefields/forcefieldghemical.h:174,48'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical9E_TorsionILb0EEEdv
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      functionLinenumberEnd: 180
      functionDepth:   0
      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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        - _ZN9OpenBabel20OBForceFieldGhemical5E_VDWILb1EEEdv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldghemical.h:180,28'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical5E_VDWILb1EEEdv
        - Src:             'src/forcefields/forcefieldghemical.h:180,44'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical5E_VDWILb0EEEdv
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      functionLinenumberEnd: 186
      functionDepth:   0
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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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        - _ZN9OpenBabel20OBForceFieldGhemical15E_ElectrostaticILb1EEEdv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldghemical.h:186,28'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical15E_ElectrostaticILb1EEEdv
        - Src:             'src/forcefields/forcefieldghemical.h:186,54'
          Dst:             _ZN9OpenBabel20OBForceFieldGhemical15E_ElectrostaticILb0EEEdv
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      functionLinenumber: 1169
      functionLinenumberEnd: 1261
      functionDepth:   0
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      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      ICount:          692
      EdgeCount:       181
      CyclomaticComplexity: 84
      functionsReached:
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        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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        - _ZN9OpenBabel7vector31zEv
        - _ZN9OpenBabel7vector33SetEddd
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        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
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      functionUses:    0
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1170,22'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1170,31'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1175,5'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1176,5'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1177,5'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1180,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldghemical.cpp:1180,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1180,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1261,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1261,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1261,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1181,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1184,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:1184,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1184,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1186,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1187,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1187,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1187,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1189,122'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1189,140'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1189,153'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1189,166'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1190,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1190,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1190,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1190,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1190,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1190,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1189,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:1191,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1194,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:1194,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1194,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1197,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1198,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1198,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1198,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1200,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1200,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1200,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1201,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1201,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1201,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1201,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1201,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1201,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1200,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:1202,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1204,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1204,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1204,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1208,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:1208,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1208,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1211,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1212,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1212,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1212,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1214,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1214,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1214,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1215,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1215,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1215,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1215,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1215,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1215,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1214,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:1216,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1217,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1217,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1217,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1221,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:1221,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1221,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1224,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1225,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1225,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1225,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1227,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1227,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1227,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1228,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1228,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1228,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1228,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1228,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1228,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1227,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:1229,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1230,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1230,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1230,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1234,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:1234,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1234,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1237,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1238,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1238,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1238,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1240,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1240,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1240,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1241,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1241,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1241,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1241,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1241,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1241,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1240,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:1242,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:1243,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1243,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1243,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1247,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldghemical.cpp:1247,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1247,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1250,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldghemical.cpp:1251,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1251,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldghemical.cpp:1251,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldghemical.cpp:1253,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1253,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1253,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1254,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1254,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1254,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1254,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1254,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:1254,76'
          Dst:             _ZN9OpenBabel7vector31zEv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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        - Src:             'src/forcefields/forcefieldghemical.cpp:341,13'
          Dst:             _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
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        - Src:             'src/forcefields/forcefieldghemical.cpp:335,13'
          Dst:             _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
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          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:291,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:292,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:300,24'
          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
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          Dst:             snprintf
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:291,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:292,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZN9OpenBabel26OBFFVDWCalculationGhemical7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldghemical.cpp:312,79'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:312,98'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             snprintf
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          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:320,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
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          Dst:             _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:222,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel30OBFFTorsionCalculationGhemical7ComputeILb1EEEvv
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          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
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          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldghemical.cpp:233,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
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          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefieldghemical.cpp:238,105'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:238,124'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:239,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:239,44'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:238,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:240,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:245,7'
          Dst:             snprintf
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        - Src:             'src/forcefields/forcefieldghemical.cpp:220,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:221,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:222,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:227,19'
          Dst:             _ZN9OpenBabel30OBFFTorsionCalculationGhemical7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefieldghemical.cpp:238,105'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:238,124'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:239,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:239,44'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldghemical.cpp:238,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:240,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldghemical.cpp:245,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldghemical.cpp:246,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3764,15'
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        - Src:             'src/forcefields/forcefieldmmff94.cpp:3760,35'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3760,23'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3771,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3771,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3771,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3771,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3771,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3772,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3772,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3772,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3772,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3784,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3772,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3773,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3773,70'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3775,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3775,70'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3777,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3777,72'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3779,33'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3780,23'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3780,70'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3780,92'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3772,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3772,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3785,19'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3787,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3788,19'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3790,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3791,53'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3792,26'
          Dst:             _ZNK9OpenBabel6OBAtom18GetExplicitValenceEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3803,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:0,0'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3815,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3815,15'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3816,19'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3771,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3771,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3819,9'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3819,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3819,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3820,31'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3821,22'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3821,44'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3821,72'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3822,19'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3827,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3827,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3827,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3827,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3827,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3828,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3831,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3831,69'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3832,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3832,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3832,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3832,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3832,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3833,26'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3833,72'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3833,120'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3833,156'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3833,174'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3834,23'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3832,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3832,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3836,19'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3838,20'
          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:3840,25'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3840,72'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3840,108'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3840,126'
          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:3844,19'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3827,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3827,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3848,19'
          Dst:             _ZN9OpenBabel5OBMol7GetSSSREv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3856,22'
          Dst:             _ZN9OpenBabel6OBRing10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3856,45'
          Dst:             _ZN9OpenBabel6OBRing8IsMemberEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3856,73'
          Dst:             _ZNK9OpenBabel6OBRing4SizeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3858,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3858,38'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3862,21'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3866,15'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3869,19'
          Dst:             _ZN9OpenBabel5OBMol7GetSSSREv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3873,22'
          Dst:             _ZN9OpenBabel6OBRing10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3873,45'
          Dst:             _ZN9OpenBabel6OBRing8IsMemberEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3873,73'
          Dst:             _ZNK9OpenBabel6OBRing4SizeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3876,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3876,38'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3876,86'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3876,100'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3880,21'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3882,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3882,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3882,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3882,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3887,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3882,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3883,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3883,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3883,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3883,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3882,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3882,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3883,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3884,30'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3884,19'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3885,23'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3883,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3883,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3887,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3887,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3887,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3887,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3888,15'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3888,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3888,15'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3888,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3887,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3887,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3888,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3889,30'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3889,19'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3890,23'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3888,15'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3888,15'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9417SetPartialChargesEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 3902
      functionLinenumberEnd: 3981
      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:3909,7'
          Branch Sides:    []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3903,33'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3906,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3906,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3906,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3975,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3907,29'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3907,18'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3924,11'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetCrdEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3925,19'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3929,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3929,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3929,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3929,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3929,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3930,20'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3931,25'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3931,67'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3929,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3929,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3935,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3935,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3935,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3935,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3935,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3936,20'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3937,25'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3935,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3935,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3942,7'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3942,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3942,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3942,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3942,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3943,34'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3943,24'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3945,21'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3949,15'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9411GetBondTypeEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3942,7'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3942,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:0,0'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3975,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3975,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3978,5'
          Dst:             _ZN9OpenBabel12OBForceField19PrintPartialChargesEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3976,44'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3976,13'
          Dst:             _ZN9OpenBabel6OBAtom16SetPartialChargeEd
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9417SetupCalculationsEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 2688
      functionLinenumberEnd: 3676
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         718
      ICount:          3180
      EdgeCount:       736
      CyclomaticComplexity: 20
      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:2808,24'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2808,16'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2809,24'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2809,16'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2810,24'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2810,16'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2813,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2813,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2813,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2813,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2813,116'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2813,103'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2817,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2820,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2820,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2820,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2820,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2821,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2821,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2830,19'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9412GetAngleTypeEPNS_6OBAtomES2_S2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2831,20'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413GetStrBndTypeEPNS_6OBAtomES2_S2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2832,19'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9411GetBondTypeEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2833,19'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9411GetBondTypeEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2835,11'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949HasLinSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2842,19'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter3AtomEiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2844,55'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl3Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2844,79'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl3Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2844,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter3AtomEiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2846,55'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl4Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2846,79'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl4Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2846,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter3AtomEiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2848,55'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2848,79'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2848,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter3AtomEiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2856,93'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2856,106'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2856,119'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2856,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2857,108'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2857,121'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2857,134'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2857,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2858,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2864,13'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetCrdEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2867,14'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetCrdEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2867,41'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2870,16'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2873,13'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949HasLinSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2876,14'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetCrdEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2876,39'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetValEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2876,64'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2877,18'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2884,16'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2884,38'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2884,60'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2884,79'
          Dst:             _ZN9OpenBabel12OBForceField12IsInSameRingEPNS_6OBAtomES2_
        - 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:2896,123'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2896,136'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2896,149'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2896,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2897,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2901,14'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949GetZParamEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2902,14'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949GetCParamEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2903,14'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949GetZParamEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2905,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413GetBondLengthEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2906,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413GetBondLengthEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2915,16'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2915,38'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2915,60'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2915,79'
          Dst:             _ZN9OpenBabel12OBForceField12IsInSameRingEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2917,16'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2917,38'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2917,60'
          Dst:             _ZNK9OpenBabel6OBAtom12IsInRingSizeEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2917,79'
          Dst:             _ZN9OpenBabel12OBForceField12IsInSameRingEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2922,47'
          Dst:             exp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2930,17'
          Dst:             _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2936,19'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter3AtomEiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2946,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413GetElementRowEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2947,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413GetElementRowEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2948,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413GetElementRowEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2950,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9417GetParameter3AtomEiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2955,115'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2955,128'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2955,141'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2955,13'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2956,13'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2978,25'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413GetBondLengthEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2979,25'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9413GetBondLengthEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:2984,18'
          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:3091,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3093,34'
          Dst:             _ZN9OpenBabel28OBFFTorsionCalculationMMFF94C2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3098,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3098,5'
          Dst:             _ZNK9OpenBabel16OBMolTorsionItercvbEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3098,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3099,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3099,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3100,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3100,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3101,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3101,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3102,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3102,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3104,24'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3104,16'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3105,24'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3105,16'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3106,24'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3106,16'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3107,24'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3107,16'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3110,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3110,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3110,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3110,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3111,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3111,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3111,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3111,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3115,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3118,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3118,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3118,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3118,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3119,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3119,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3119,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3119,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3128,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9414GetTorsionTypeEPNS_6OBAtomES2_S2_S2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3135,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3137,59'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl3Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3137,91'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3137,23'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3139,59'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3139,91'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl3Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3139,23'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3141,59'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3141,91'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3141,23'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3144,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3146,59'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl3Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3146,91'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3146,23'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3148,59'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3148,91'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl3Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3148,23'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3150,59'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3150,91'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946EqLvl5Ei
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3150,23'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter4AtomEiiiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3167,13'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949HasLinSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3167,34'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949HasLinSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3171,16'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3171,28'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3173,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949GetUParamEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3174,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949GetUParamEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3176,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9410HasPilpSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3176,39'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9410HasPilpSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3181,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetValEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3181,42'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetValEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3182,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetValEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3182,42'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF946GetValEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3188,43'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3194,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949GetUParamEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3195,16'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF949GetUParamEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3196,29'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3197,17'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3197,43'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3197,76'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3197,98'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3204,43'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3347,19'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3098,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3098,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3357,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3359,30'
          Dst:             _ZN9OpenBabel24OBFFOOPCalculationMMFF94C2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3363,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3363,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3363,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3368,24'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3368,16'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3376,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3376,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3376,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3376,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3376,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3376,11'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3376,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3388,28'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3388,20'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3389,28'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3389,20'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3390,28'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3390,20'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3393,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3393,29'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3393,81'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3393,68'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3394,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3394,29'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3394,81'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3394,68'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3398,15'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3401,46'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3401,34'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3401,86'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3401,74'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3402,46'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3402,34'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3402,86'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3402,74'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3428,23'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3435,23'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3443,23'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3457,23'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3464,23'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3472,23'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3483,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3485,30'
          Dst:             _ZN9OpenBabel24OBFFVDWCalculationMMFF94C2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3490,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3490,5'
          Dst:             _ZNK9OpenBabel13OBMolPairItercvbEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3490,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3492,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3492,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3493,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3493,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3496,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3496,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3496,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3496,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3501,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3504,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3504,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3504,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3504,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3511,51'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3511,39'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3511,99'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3511,87'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3515,51'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3515,39'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3515,99'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3515,87'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3527,47'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3527,39'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3527,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9417GetParameter1AtomEiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3528,47'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3528,39'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3528,21'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9417GetParameter1AtomEiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3531,110'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3531,123'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3531,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3532,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3557,27'
          Dst:             pow
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3558,27'
          Dst:             pow
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3559,16'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3560,16'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3599,67'
          Dst:             exp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3608,15'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3490,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3490,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3490,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3616,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3618,40'
          Dst:             _ZN9OpenBabel34OBFFElectrostaticCalculationMMFF94C2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3623,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3623,5'
          Dst:             _ZNK9OpenBabel13OBMolPairItercvbEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3623,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3676,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3625,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3625,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3626,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3626,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3629,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3629,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3629,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3629,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3634,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3637,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3637,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3637,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3637,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3644,51'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3644,39'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3644,99'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3644,87'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3648,51'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3648,39'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3648,99'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3648,87'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3659,34'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3659,58'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3666,16'
          Dst:             _ZN9OpenBabel6OBAtom9IsOneFourEPS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3670,17'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3623,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterppEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3623,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3676,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3676,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3676,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3676,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3676,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3676,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3676,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3676,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3676,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3676,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3676,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3676,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:3676,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9413SetupPointersEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 3679
      functionLinenumberEnd: 3695
      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:     externalLinkage
      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
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          Dst:             _ZN9OpenBabel12OBForceField10SetLogFileEPNSt3__113basic_ostreamIcNS1_11char_traitsIcEEEE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4039,5'
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        - Src:             'src/forcefields/forcefieldmmff94.cpp:4042,12'
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        - Src:             'src/forcefields/forcefieldmmff94.cpp:4053,23'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
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        - Src:             'src/forcefields/forcefieldmmff94.cpp:4082,29'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4083,29'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4084,29'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4087,31'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4089,31'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4091,31'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4100,32'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4101,32'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4102,32'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4103,32'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4106,34'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4108,34'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4110,34'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4119,32'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4120,32'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4121,32'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4122,32'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4125,34'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4127,34'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4129,34'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4136,25'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4138,20'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4140,25'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4142,20'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4144,25'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4146,20'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4150,34'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4153,15'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4154,20'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4155,15'
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        - Src:             'src/forcefields/forcefieldmmff94.cpp:4156,21'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4157,15'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4158,22'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4159,15'
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        - Src:             'src/forcefields/forcefieldmmff94.cpp:4160,20'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4161,15'
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        - Src:             'src/forcefields/forcefieldmmff94.cpp:4162,21'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4163,15'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4164,20'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4165,15'
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        - Src:             'src/forcefields/forcefieldmmff94.cpp:4166,20'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4167,15'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4168,19'
          Dst:             atof
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4169,15'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4173,15'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4188,59'
          Dst:             _ZNK9OpenBabel5OBMol8GetTitleEb
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4196,23'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4199,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4199,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4199,15'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4200,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4200,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4200,15'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4203,23'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4203,36'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4203,13'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4204,95'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4204,108'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4204,123'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4204,136'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4205,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4205,37'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4205,61'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4205,74'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4205,51'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4204,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4207,99'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4207,112'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4207,127'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4207,140'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4208,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4208,37'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4208,61'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4208,74'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4208,51'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4207,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4230,23'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4233,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4233,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4233,15'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4234,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4234,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4234,15'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4237,31'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4237,44'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4238,86'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4238,99'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4238,114'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4238,127'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4238,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4240,90'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4240,103'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4240,118'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4240,131'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4240,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4262,23'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4265,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4265,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4265,15'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4266,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4266,38'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4266,15'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4269,31'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4269,44'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4270,86'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4270,99'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4270,114'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4270,127'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4270,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4272,90'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4272,103'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4272,118'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4272,131'
          Dst:             _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4272,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4301,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4305,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4309,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4313,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4317,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4321,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4325,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4330,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4341,3'
          Dst:             _ZN9OpenBabel12OBConversionD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4341,3'
          Dst:             _ZN9OpenBabel12OBConversionD2Ev
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9417ValidateGradientsEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 4344
      functionLinenumberEnd: 4466
      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:4345,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4345,22'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4345,31'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4352,47'
          Dst:             _ZNK9OpenBabel5OBMol8GetTitleEb
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4359,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4359,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4359,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4466,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4466,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4466,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4360,22'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4363,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4363,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4363,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4365,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4366,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4366,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4366,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4368,122'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4368,140'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4368,153'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4368,166'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4369,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4369,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4369,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4369,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4369,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4369,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4368,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4370,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4373,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4373,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4373,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4376,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4377,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4377,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4377,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4379,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4379,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4379,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4380,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4380,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4380,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4380,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4380,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4380,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4379,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4381,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4382,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4382,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4382,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4386,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4386,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4386,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4389,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4390,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4390,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4390,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4392,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4392,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4392,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4393,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4393,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4393,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4393,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4393,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4393,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4392,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4394,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4395,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4395,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4395,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4399,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4399,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4399,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4402,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4403,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4403,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4403,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4405,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4405,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4405,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4406,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4406,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4406,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4406,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4406,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4406,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4405,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4407,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4408,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4408,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4408,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4412,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4412,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4412,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4415,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4416,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4416,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4416,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4418,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4418,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4418,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4419,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4419,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4419,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4419,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4419,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4419,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4418,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4420,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4421,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4421,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4421,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4425,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4425,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4425,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4428,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4429,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4429,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4429,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4431,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4431,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4431,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4432,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4432,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4432,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4432,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4432,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4432,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4431,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4433,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4439,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4439,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4439,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4442,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4443,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4443,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4443,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4445,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4445,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4445,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4446,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4446,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4446,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4446,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4446,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4446,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4445,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4447,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4448,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4448,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4448,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4452,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4452,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4452,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4455,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4456,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4456,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4456,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4458,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4458,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4458,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4459,23'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4459,36'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4459,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4459,58'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4459,67'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4459,76'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4458,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4460,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4461,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4461,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4461,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4466,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4466,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4466,3'
          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
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      EdgeCount:       30
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        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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      BranchProfiles:  []
      Callsites:
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          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
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      functionLinenumberEnd: 689
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      argTypes:
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      ICount:          62
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      CyclomaticComplexity: 3
      functionsReached:
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        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:656,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:664,13'
          Dst:             _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
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      argTypes:
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      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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      functionLinenumberEnd: 650
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      argTypes:
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      constantsTouched: []
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      ICount:          155
      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
        - _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel24OBFFOOPCalculationMMFF947ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
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      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:601,7'
          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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      functionLinenumberEnd: 650
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
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      argNames:
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      BBCount:         18
      ICount:          131
      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
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        - _ZN9OpenBabel24OBFFOOPCalculationMMFF947ComputeILb0EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - atoi
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      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:601,7'
          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
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
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      functionLinenumberEnd: 593
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
        - ''
      BBCount:         9
      ICount:          57
      EdgeCount:       11
      CyclomaticComplexity: 4
      functionsReached:
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - _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
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 565
      functionLinenumberEnd: 593
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      ICount:          72
      EdgeCount:       11
      CyclomaticComplexity: 4
      functionsReached:
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - _ZN9OpenBabel12OBForceField19VectorOOPDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
        - cos
      functionUses:    1
      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
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
      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'
      linkageType:     InternalLinkage
      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
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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:             _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
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         9
      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
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      functionLinenumberEnd: 495
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        - sin
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      BranchProfiles:  []
      Callsites:
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        - Src:             'src/forcefields/forcefieldmmff94.cpp:464,13'
          Dst:             _ZN9OpenBabel12OBForceField23VectorTorsionDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:469,14'
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        - 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
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        - _ZN9OpenBabel6OBAtom7GetTypeEv
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      BranchProfiles:  []
      Callsites:
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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:             _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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      argTypes:
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      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
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        - _ZN9OpenBabel27OBFFStrBndCalculationMMFF947ComputeILb0EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
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      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:             _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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      functionLinenumberEnd: 359
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      argTypes:
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      argNames:
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      ICount:          85
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      CyclomaticComplexity: 4
      functionsReached:
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        - _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEiii
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:319,9'
          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_
    - functionName:    _ZN9OpenBabel27OBFFStrBndCalculationMMFF947ComputeILb1EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
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      functionLinenumberEnd: 359
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      returnType:      void
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      argTypes:
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      ICount:          110
      EdgeCount:       11
      CyclomaticComplexity: 4
      functionsReached:
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        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEiii
        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - _ZN9OpenBabel12OBForceField21VectorAngleDerivativeEPdS1_S1_S1_S1_S1_
        - _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
        - _ZN9OpenBabel12OBForceField9VectorAddEPdS1_S1_
      functionUses:    1
      BranchProfiles:  []
      Callsites:
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          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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      linkageType:     InternalLinkage
      functionLinenumber: 1598
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      argTypes:
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        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         1
      ICount:          22
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    10
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel12OBForceField14VectorMultiplyEPddS1_
      functionSourceFile: '/src/openbabel/include/openbabel/forcefield.h'
      linkageType:     InternalLinkage
      functionLinenumber: 1620
      functionLinenumberEnd: 1623
      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
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      argTypes:
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      argNames:
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      ICount:          133
      EdgeCount:       23
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      functionsReached:
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        - _ZN9OpenBabel26OBFFAngleCalculationMMFF947ComputeILb0EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - atoi
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      BranchProfiles:  []
      Callsites:
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          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
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
        - ''
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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
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      functionLinenumberEnd: 183
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      argTypes:
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      functionsReached:
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        - _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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      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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      functionUses:    2
      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
        - 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
    - functionName:    _ZN9OpenBabel25OBFFBondCalculationMMFF947ComputeILb0EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
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      functionLinenumberEnd: 131
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      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         6
      ICount:          47
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
        - _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:108,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:125,13'
          Dst:             _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
    - functionName:    _ZN9OpenBabel25OBFFBondCalculationMMFF947ComputeILb1EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     InternalLinkage
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      functionLinenumberEnd: 131
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      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         6
      ICount:          58
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - _ZN9OpenBabel12OBForceField20VectorBondDerivativeEPdS1_S1_S1_
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:108,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefieldmmff94.cpp:116,13'
          Dst:             _ZN9OpenBabel12OBForceField20VectorBondDerivativeEPdS1_S1_S1_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:122,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefieldmmff94.cpp:123,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
    - functionName:    _ZN9OpenBabel25OBFFBondCalculationMMFF94C2Ev
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.h'
      linkageType:     InternalLinkage
      functionLinenumber: 30
      functionLinenumberEnd: 30
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      returnType:      void
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      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         3
      ICount:          13
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
        - _ZN9OpenBabel16OBFFCalculation2C2Ev
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.h:30,9'
          Dst:             _ZN9OpenBabel16OBFFCalculation2C2Ev
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9411GetBondTypeEPNS_6OBAtomES2_
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 4484
      functionLinenumberEnd: 4496
      functionDepth:   0
      returnType:      int
      argCount:        3
      argTypes:
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        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         18
      ICount:          69
      EdgeCount:       24
      CyclomaticComplexity: 8
      functionsReached:
        - _ZN9OpenBabel18OBForceFieldMMFF9410HasAromSetEi
        - _ZN9OpenBabel18OBForceFieldMMFF9410HasSbmbSetEi
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - atoi
      functionUses:    12
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4485,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4486,15'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4486,44'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4489,28'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4489,20'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4489,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9410HasAromSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4489,62'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4489,54'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4489,43'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9410HasAromSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4492,28'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4492,20'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4492,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9410HasSbmbSetEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4492,62'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4492,54'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4492,43'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9410HasSbmbSetEi
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9422GetTypedParameter2AtomEiiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 5140
      functionLinenumberEnd: 5152
      functionDepth:   0
      returnType:      'N/A'
      argCount:        5
      argTypes:
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        - int
        - int
        - int
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
        - ''
      BBCount:         24
      ICount:          106
      EdgeCount:       32
      CyclomaticComplexity: 10
      functionsReached: []
      functionUses:    2
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9417GetParameter2AtomEiiRNSt3__16vectorINS_13OBFFParameterENS1_9allocatorIS3_EEEE
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 5110
      functionLinenumberEnd: 5122
      functionDepth:   0
      returnType:      'N/A'
      argCount:        4
      argTypes:
        - 'N/A'
        - int
        - int
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         20
      ICount:          84
      EdgeCount:       26
      CyclomaticComplexity: 8
      functionsReached: []
      functionUses:    1
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9417GetRuleBondLengthEPNS_6OBAtomES2_
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 5008
      functionLinenumberEnd: 5093
      functionDepth:   0
      returnType:      double
      argCount:        3
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         69
      ICount:          331
      EdgeCount:       91
      CyclomaticComplexity: 24
      functionsReached:
        - _ZN9OpenBabel10OBElements25GetAllredRochowElectroNegEj
        - _ZN9OpenBabel18OBForceFieldMMFF9410HasPilpSetEi
        - _ZN9OpenBabel18OBForceFieldMMFF9417GetCovalentRadiusEPNS_6OBAtomE
        - _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - atoi
        - pow
      functionUses:    2
      BranchProfiles:
        - Branch String:   'src/forcefields/forcefieldmmff94.cpp:5056,5'
          Branch Sides:    []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5011,11'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9417GetCovalentRadiusEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5012,11'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9417GetCovalentRadiusEPNS_6OBAtomE
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5013,51'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5013,10'
          Dst:             _ZN9OpenBabel10OBElements25GetAllredRochowElectroNegEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5014,51'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5014,10'
          Dst:             _ZN9OpenBabel10OBElements25GetAllredRochowElectroNegEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5017,12'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5019,12'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5022,12'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5022,57'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5027,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5027,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5027,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5029,31'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5029,23'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5029,15'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5029,69'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5029,61'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5029,53'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5034,25'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5034,17'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5034,9'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5036,31'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5036,23'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5036,15'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5036,69'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5036,61'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5036,53'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5041,15'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5041,27'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5042,26'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5042,18'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5042,10'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5042,64'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5042,56'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5042,48'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5044,26'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5044,18'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5044,10'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5044,64'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5044,56'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5044,48'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5046,26'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5046,18'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5046,10'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5046,64'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5046,56'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5046,48'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF947GetMltbEi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5048,12'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5048,24'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5049,31'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5049,23'
          Dst:             atoi
        - Src:             'src/forcefields/forcefieldmmff94.cpp:5049,12'
          Dst:             _ZN9OpenBabel18OBForceFieldMMFF9410HasPilpSetEi
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      EdgeCount:       3
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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      ICount:          16
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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    - functionName:    _ZN9OpenBabel25OBFFBondCalculationMMFF94C2EOS0_
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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      BranchProfiles:  []
      Callsites:
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      argTypes:
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      ICount:          16
      EdgeCount:       3
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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      functionLinenumber: 4936
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      returnType:      double
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      argTypes:
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      constantsTouched: []
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      BBCount:         31
      ICount:          120
      EdgeCount:       61
      CyclomaticComplexity: 32
      functionsReached:
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        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
      functionUses:    2
      BranchProfiles:
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          Branch Sides:    []
      Callsites:
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4988,44'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4988,14'
          Dst:             _ZN9OpenBabel10OBElements14GetCovalentRadEj
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      linkageType:     externalLinkage
      functionLinenumber: 4749
      functionLinenumberEnd: 4750
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
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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:4750,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9410HasSbmbSetEi
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 4755
      functionLinenumberEnd: 4756
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
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        - int
      constantsTouched: []
      argNames:
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        - ''
      BBCount:         3
      ICount:          13
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
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      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:4756,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9416PerceiveAromaticEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1379
      functionLinenumberEnd: 1473
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
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      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:     externalLinkage
      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
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9414ParseParamPropERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1282
      functionLinenumberEnd: 1328
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         73
      ICount:          372
      EdgeCount:       130
      CyclomaticComplexity: 59
      functionsReached:
        - _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - _ZN9OpenBabel13OBFFParameter5clearEv
        - _ZN9OpenBabel13OBFFParameterC2Ev
        - _ZN9OpenBabel13OBFFParameterD2Ev
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - atoi
        - strncmp
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1286,19'
          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
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1313,21'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1315,21'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1317,20'
          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
    - functionName:    _ZN9OpenBabel18OBForceFieldMMFF9413ParseParamDefERNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1331
      functionLinenumberEnd: 1363
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         51
      ICount:          253
      EdgeCount:       89
      CyclomaticComplexity: 40
      functionsReached:
        - _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - _ZN9OpenBabel13OBFFParameter5clearEv
        - _ZN9OpenBabel13OBFFParameterC2Ev
        - _ZN9OpenBabel13OBFFParameterD2Ev
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - atoi
        - strncmp
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1335,19'
          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
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 925
      functionLinenumberEnd: 957
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         47
      ICount:          235
      EdgeCount:       83
      CyclomaticComplexity: 38
      functionsReached:
        - _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - _ZN9OpenBabel13OBFFParameter5clearEv
        - _ZN9OpenBabel13OBFFParameterC2Ev
        - _ZN9OpenBabel13OBFFParameterD2Ev
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - atof
        - atoi
        - strncmp
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:929,19'
          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
      functionSourceFile: '/src/openbabel/src/forcefields/forcefieldmmff94.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 994
      functionLinenumberEnd: 1027
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         47
      ICount:          240
      EdgeCount:       83
      CyclomaticComplexity: 38
      functionsReached:
        - _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - _ZN9OpenBabel13OBFFParameter5clearEv
        - _ZN9OpenBabel13OBFFParameterC2Ev
        - _ZN9OpenBabel13OBFFParameterD2Ev
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - atof
        - atoi
        - strncmp
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefieldmmff94.cpp:998,19'
          Dst:             _ZN9OpenBabel13OBFFParameterC2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1002,9'
          Dst:             _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1003,18'
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        - Src:             'src/forcefields/forcefieldmmff94.cpp:1090,33'
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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'
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          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
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          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
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          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
        - Src:             'src/forcefields/forcefieldmmff94.cpp:1063,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
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        - Src:             'src/forcefields/forcefielduff.cpp:1635,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefielduff.cpp:1636,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefielduff.cpp:1637,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefielduff.cpp:1638,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefielduff.cpp:1639,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefielduff.cpp:1640,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefielduff.cpp:1641,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefielduff.cpp:1642,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefielduff.cpp:1643,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefielduff.cpp:1644,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefielduff.cpp:1645,35'
          Dst:             atof
        - Src:             'src/forcefields/forcefielduff.cpp:1687,14'
          Dst:             _ZN9OpenBabel8OBLocale13RestoreLocaleEv
        - Src:             'src/forcefields/forcefielduff.cpp:1690,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1690,3'
          Dst:             _ZN9OpenBabel13OBFFParameterD2Ev
    - functionName:    _ZN9OpenBabel15OBForceFieldUFF8SetTypesEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1693
      functionLinenumberEnd: 1784
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         158
      ICount:          726
      EdgeCount:       312
      CyclomaticComplexity: 156
      functionsReached:
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        - _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - _ZN9OpenBabel15OBSmartsPattern10GetMapListEv
        - _ZN9OpenBabel15OBSmartsPattern4InitERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel15OBSmartsPattern5MatchERNS_5OBMolEb
        - _ZN9OpenBabel15OBSmartsPatternC2Ev
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - _ZN9OpenBabel5OBMol21SetAtomTypesPerceivedEb
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - _ZN9OpenBabel6OBAtom7SetTypeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBAtom8IsInRingEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - snprintf
        - strncmp
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:1702,10'
          Dst:             _ZN9OpenBabel5OBMol21SetAtomTypesPerceivedEb
        - Src:             'src/forcefields/forcefielduff.cpp:1706,9'
          Dst:             _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - Src:             'src/forcefields/forcefielduff.cpp:1707,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefielduff.cpp:1712,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1713,8'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/forcefields/forcefielduff.cpp:1715,18'
          Dst:             _ZN9OpenBabel15OBSmartsPatternC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1716,17'
          Dst:             _ZN9OpenBabel15OBSmartsPattern4InitERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:1722,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefielduff.cpp:1729,21'
          Dst:             _ZN9OpenBabel15OBSmartsPattern5MatchERNS_5OBMolEb
        - Src:             'src/forcefields/forcefielduff.cpp:1730,28'
          Dst:             _ZN9OpenBabel15OBSmartsPattern10GetMapListEv
        - Src:             'src/forcefields/forcefielduff.cpp:1732,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1732,34'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:1739,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:1739,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefielduff.cpp:1739,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefielduff.cpp:1740,14'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefielduff.cpp:1744,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefielduff.cpp:1744,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefielduff.cpp:1744,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefielduff.cpp:1744,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1744,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1745,29'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefielduff.cpp:1755,14'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1744,9'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefielduff.cpp:1744,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1757,19'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefielduff.cpp:1758,12'
          Dst:             _ZN9OpenBabel6OBAtom7SetTypeEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1763,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1764,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1766,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:1766,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefielduff.cpp:1766,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefielduff.cpp:1767,57'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1767,70'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1768,8'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/forcefields/forcefielduff.cpp:1768,25'
          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
        - Src:             'src/forcefields/forcefielduff.cpp:1767,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1769,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel15OBForceFieldUFF17SetupCalculationsEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 741
      functionLinenumberEnd: 1522
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         847
      ICount:          3474
      EdgeCount:       1643
      CyclomaticComplexity: 798
      functionsReached:
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        - _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:1118,11'
          Branch Sides:    []
        - Branch String:   'src/forcefields/forcefielduff.cpp:1171,7'
          Branch Sides:    []
        - Branch String:   'src/forcefields/forcefielduff.cpp:1255,9'
          Branch Sides:    []
        - Branch String:   'src/forcefields/forcefielduff.cpp:1269,9'
          Branch Sides:    []
        - Branch String:   'src/forcefields/forcefielduff.cpp:1302,11'
          Branch Sides:    []
        - Branch String:   'src/forcefields/forcefielduff.cpp:1313,11'
          Branch Sides:    []
        - Branch String:   'src/forcefields/forcefielduff.cpp:1347,7'
          Branch Sides:    []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:745,28'
          Dst:             _ZN9OpenBabel22OBFFBondCalculationUFFC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:746,29'
          Dst:             _ZN9OpenBabel23OBFFAngleCalculationUFFC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:747,31'
          Dst:             _ZN9OpenBabel25OBFFTorsionCalculationUFFC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:748,27'
          Dst:             _ZN9OpenBabel21OBFFOOPCalculationUFFC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:749,27'
          Dst:             _ZN9OpenBabel21OBFFVDWCalculationUFFC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:752,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:764,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:764,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefielduff.cpp:764,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefielduff.cpp:770,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:766,13'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:767,13'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:770,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefielduff.cpp:770,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefielduff.cpp:771,42'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:771,20'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:776,24'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:775,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:777,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/forcefields/forcefielduff.cpp:779,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:783,11'
          Dst:             _ZN9OpenBabel15GetCoordinationEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:788,28'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/forcefields/forcefielduff.cpp:790,50'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:790,22'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:803,30'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/forcefields/forcefielduff.cpp:804,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:804,24'
          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:803,71'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/forcefields/forcefielduff.cpp:828,33'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:829,16'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:830,16'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:831,15'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/forcefields/forcefielduff.cpp:833,21'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:834,16'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:835,16'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:836,21'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/forcefields/forcefielduff.cpp:839,23'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:840,18'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:841,18'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:842,29'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/forcefields/forcefielduff.cpp:846,11'
          Dst:             _ZN9OpenBabel15GetCoordinationEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:851,28'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/forcefields/forcefielduff.cpp:853,50'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:853,22'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:866,30'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/forcefields/forcefielduff.cpp:867,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:867,24'
          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:866,71'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/forcefields/forcefielduff.cpp:891,33'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:892,16'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:893,16'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:894,15'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/forcefields/forcefielduff.cpp:896,21'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:897,16'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:898,16'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:899,21'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/forcefields/forcefielduff.cpp:901,23'
          Dst:             _ZN9OpenBabel10OBPairDataC2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:902,18'
          Dst:             _ZN9OpenBabel13OBGenericData12SetAttributeERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/forcefields/forcefielduff.cpp:903,18'
          Dst:             _ZN9OpenBabel10OBPairData8SetValueEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:904,29'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/forcefields/forcefielduff.cpp:912,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:914,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:914,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefielduff.cpp:914,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefielduff.cpp:915,17'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/forcefields/forcefielduff.cpp:916,17'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/forcefields/forcefielduff.cpp:919,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:919,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:919,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:919,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:923,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefielduff.cpp:926,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:926,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:926,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:926,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:933,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefielduff.cpp:934,17'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefielduff.cpp:938,15'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:938,41'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:939,18'
          Dst:             _ZNK9OpenBabel6OBAtom21ExplicitHydrogenCountEb
        - Src:             'src/forcefields/forcefielduff.cpp:939,53'
          Dst:             _ZNK9OpenBabel6OBAtom21ExplicitHydrogenCountEb
        - Src:             'src/forcefields/forcefielduff.cpp:941,17'
          Dst:             _ZN9OpenBabel6OBBond7IsAmideEv
        - Src:             'src/forcefields/forcefielduff.cpp:948,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:948,20'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - 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:954,23'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:954,36'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:953,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:955,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:960,21'
          Dst:             _ZN9OpenBabel21CalculateBondDistanceEPNS_13OBFFParameterES1_d
        - Src:             'src/forcefields/forcefielduff.cpp:968,16'
          Dst:             _ZN9OpenBabel16OBFFCalculation213SetupPointersEv
        - Src:             'src/forcefields/forcefielduff.cpp:976,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:981,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:981,5'
          Dst:             _ZNK9OpenBabel14OBMolAngleItercvbEv
        - Src:             'src/forcefields/forcefielduff.cpp:981,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:982,25'
          Dst:             _ZNK9OpenBabel14OBMolAngleIterdeEv
        - Src:             'src/forcefields/forcefielduff.cpp:982,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - 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:987,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:987,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:988,41'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:988,28'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:989,41'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:989,28'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:994,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefielduff.cpp:997,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:997,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:997,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:997,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:998,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:998,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1009,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1009,20'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:1010,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1010,20'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:1011,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1011,20'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:1016,23'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1016,36'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1016,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1015,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1017,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1022,22'
          Dst:             _ZN9OpenBabel15GetCoordinationEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1027,23'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1027,36'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1027,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1026,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1028,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1037,13'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF19SetupVDWCalculationEPNS_6OBAtomES2_RNS_21OBFFVDWCalculationUFFE
        - Src:             'src/forcefields/forcefielduff.cpp:1049,28'
          Dst:             _ZN9OpenBabel6OBAtom8GetAngleEPS0_S1_
        - Src:             'src/forcefields/forcefielduff.cpp:1052,16'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1053,21'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1054,21'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1058,25'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1058,58'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1059,28'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1059,61'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1096,16'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1097,19'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1098,19'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1102,25'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1102,58'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1103,28'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1103,61'
          Dst:             _ZN9OpenBabel6OBBase7HasDataEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1138,27'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:1139,17'
          Dst:             sin
        - Src:             'src/forcefields/forcefielduff.cpp:1145,25'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:1149,19'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefielduff.cpp:1150,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefielduff.cpp:1151,20'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefielduff.cpp:1153,20'
          Dst:             _ZN9OpenBabel6OBBond7IsAmideEv
        - Src:             'src/forcefields/forcefielduff.cpp:1155,10'
          Dst:             _ZN9OpenBabel21CalculateBondDistanceEPNS_13OBFFParameterES1_d
        - Src:             'src/forcefields/forcefielduff.cpp:1157,19'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefielduff.cpp:1158,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefielduff.cpp:1159,20'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefielduff.cpp:1161,20'
          Dst:             _ZN9OpenBabel6OBBond7IsAmideEv
        - Src:             'src/forcefields/forcefielduff.cpp:1163,10'
          Dst:             _ZN9OpenBabel21CalculateBondDistanceEPNS_13OBFFParameterES1_d
        - Src:             'src/forcefields/forcefielduff.cpp:1164,10'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefielduff.cpp:1168,75'
          Dst:             pow
        - Src:             'src/forcefields/forcefielduff.cpp:1185,17'
          Dst:             _ZN9OpenBabel16OBFFCalculation313SetupPointersEv
        - Src:             'src/forcefields/forcefielduff.cpp:981,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterppEv
        - Src:             'src/forcefields/forcefielduff.cpp:981,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:981,5'
          Dst:             _ZN9OpenBabel14OBMolAngleIterD2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1193,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1199,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:1199,5'
          Dst:             _ZNK9OpenBabel16OBMolTorsionItercvbEv
        - Src:             'src/forcefields/forcefielduff.cpp:1199,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1200,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1200,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1201,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1201,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1202,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1202,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1203,25'
          Dst:             _ZNK9OpenBabel16OBMolTorsionIterdeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1203,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1206,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1206,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1206,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1206,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1207,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1207,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1207,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1207,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1211,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefielduff.cpp:1214,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1214,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1214,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1214,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1215,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1215,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1215,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1215,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1222,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/forcefields/forcefielduff.cpp:1223,25'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/forcefields/forcefielduff.cpp:1224,15'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/forcefields/forcefielduff.cpp:1226,15'
          Dst:             _ZN9OpenBabel6OBBond7IsAmideEv
        - Src:             'src/forcefields/forcefielduff.cpp:1235,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1235,20'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:1236,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1236,20'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF15GetParameterUFFENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEERNS1_6vectorINS_13OBFFParameterENS5_IS9_EEEE
        - Src:             'src/forcefields/forcefielduff.cpp:1241,23'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1241,36'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1240,11'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1242,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1255,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefielduff.cpp:1269,20'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefielduff.cpp:1284,44'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefielduff.cpp:1291,11'
          Dst:             sqrt
        - Src:             'src/forcefields/forcefielduff.cpp:1292,25'
          Dst:             log
        - Src:             'src/forcefields/forcefielduff.cpp:1302,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefielduff.cpp:1313,22'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefielduff.cpp:1325,11'
          Dst:             _ZN9OpenBabel10IsNearZeroERKdd
        - Src:             'src/forcefields/forcefielduff.cpp:1330,30'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:1331,19'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefielduff.cpp:1199,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterppEv
        - Src:             'src/forcefields/forcefielduff.cpp:1199,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1199,5'
          Dst:             _ZN9OpenBabel16OBMolTorsionIterD2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1339,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1344,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:1344,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefields/forcefielduff.cpp:1344,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefields/forcefielduff.cpp:1347,18'
          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/forcefields/forcefielduff.cpp:1360,14'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1367,11'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1367,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1368,11'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1368,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1369,11'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1369,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1370,11'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1370,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1371,11'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1371,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1377,16'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1377,16'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1378,16'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1378,16'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1379,16'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1379,16'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1380,16'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1380,16'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1382,13'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1382,13'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1384,18'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1384,18'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1386,18'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1386,18'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1391,29'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:1393,62'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:1396,18'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1396,18'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1396,49'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1396,49'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1399,7'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/forcefields/forcefielduff.cpp:1399,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/forcefields/forcefielduff.cpp:1399,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/forcefields/forcefielduff.cpp:1399,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1399,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1399,7'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/forcefields/forcefielduff.cpp:1399,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1412,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1412,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1413,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1413,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1414,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1414,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1415,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1415,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1420,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefielduff.cpp:1423,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1423,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1424,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1424,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1425,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1425,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1426,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1426,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1434,11'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1434,11'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1434,42'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1434,42'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1439,13'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1439,13'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1440,13'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1440,13'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1441,13'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1441,13'
          Dst:             strncmp
        - Src:             'src/forcefields/forcefielduff.cpp:1453,15'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefielduff.cpp:1460,15'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefielduff.cpp:1468,15'
          Dst:             _ZN9OpenBabel16OBFFCalculation413SetupPointersEv
        - Src:             'src/forcefields/forcefielduff.cpp:1476,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1478,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - Src:             'src/forcefields/forcefielduff.cpp:1478,5'
          Dst:             _ZNK9OpenBabel13OBMolPairItercvbEv
        - Src:             'src/forcefields/forcefielduff.cpp:1478,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1479,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1479,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1480,25'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefields/forcefielduff.cpp:1480,16'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1483,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1483,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1483,77'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1483,64'
          Dst:             _ZN9OpenBabel15OBFFConstraints9IsIgnoredEi
        - Src:             'src/forcefields/forcefielduff.cpp:1488,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefields/forcefielduff.cpp:1491,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1491,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1491,82'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1491,70'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1495,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1495,37'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1495,97'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1495,85'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1497,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1497,37'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1497,97'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefields/forcefielduff.cpp:1497,85'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:1505,14'
          Dst:             _ZN9OpenBabel6OBAtom11IsConnectedEPS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1508,14'
          Dst:             _ZN9OpenBabel6OBAtom10IsOneThreeEPS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1512,11'
          Dst:             _ZN9OpenBabel15OBForceFieldUFF19SetupVDWCalculationEPNS_6OBAtomES2_RNS_21OBFFVDWCalculationUFFE
        - Src:             'src/forcefields/forcefielduff.cpp:1478,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterppEv
        - Src:             'src/forcefields/forcefielduff.cpp:1478,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1522,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1522,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1522,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1522,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1522,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1522,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1522,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1522,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1522,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1522,3'
          Dst:             _ZN9OpenBabel16OBFFCalculation2D2Ev
    - functionName:    _ZN9OpenBabel15OBForceFieldUFF13SetupPointersEv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1592
      functionLinenumberEnd: 1606
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         39
      ICount:          203
      EdgeCount:       51
      CyclomaticComplexity: 14
      functionsReached: []
      functionUses:    0
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel15OBForceFieldUFF6EnergyEb
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1787
      functionLinenumberEnd: 1817
      functionDepth:   0
      returnType:      double
      argCount:        2
      argTypes:
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZN9OpenBabel7vector31xEv
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          Dst:             _ZN9OpenBabel7vector31yEv
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          Dst:             _ZN9OpenBabel7vector31zEv
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          Dst:             _ZN9OpenBabel7vector31xEv
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          Dst:             _ZN9OpenBabel7vector31yEv
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          Dst:             _ZN9OpenBabel7vector31zEv
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          Dst:             _ZN9OpenBabel7vector31xEv
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          Dst:             _ZN9OpenBabel7vector31yEv
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          Dst:             _ZN9OpenBabel7vector31zEv
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        - Src:             'src/forcefields/forcefielduff.cpp:1855,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1855,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1858,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
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          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
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          Dst:             _ZN9OpenBabel7vector31xEv
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          Dst:             _ZN9OpenBabel7vector31yEv
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          Dst:             _ZN9OpenBabel7vector31zEv
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          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1862,37'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1862,50'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1862,59'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1862,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1862,77'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1861,7'
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1864,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1864,49'
          Dst:             _ZN9OpenBabel7vector31zEv
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          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1871,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
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          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1872,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1874,142'
          Dst:             _ZN9OpenBabel7vector31yEv
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          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1875,24'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1875,37'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1875,50'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1875,59'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1875,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1875,77'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1874,7'
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          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1877,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1877,49'
          Dst:             _ZN9OpenBabel7vector31zEv
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          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
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        - Src:             'src/forcefields/forcefielduff.cpp:1881,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1884,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
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          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1885,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1887,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1887,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1887,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1888,24'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1888,37'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1888,50'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1888,59'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1888,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1888,77'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1887,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1889,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1891,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1891,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1891,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1895,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1895,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1895,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1898,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefielduff.cpp:1899,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefielduff.cpp:1899,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1899,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1901,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1901,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1901,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1902,24'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1902,37'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1902,50'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1902,59'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1902,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1902,77'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1901,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1903,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1909,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1909,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1909,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1912,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefielduff.cpp:1913,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefielduff.cpp:1913,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1913,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1915,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1915,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1915,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1916,24'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1916,37'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1916,50'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1916,59'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1916,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1916,77'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1915,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1917,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1918,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1918,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1918,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1922,17'
          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
        - Src:             'src/forcefields/forcefielduff.cpp:1922,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1922,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1925,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefields/forcefielduff.cpp:1926,13'
          Dst:             _ZN9OpenBabel12OBForceField21ValidateGradientErrorERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefielduff.cpp:1926,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:1926,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1928,129'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1928,142'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1928,155'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1929,24'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1929,37'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1929,50'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1929,59'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1929,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1929,77'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1928,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:1930,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:1931,15'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefields/forcefielduff.cpp:1931,32'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefields/forcefielduff.cpp:1931,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefields/forcefielduff.cpp:1936,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1936,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:1936,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      functionLinenumberEnd: 576
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      argTypes:
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      argNames:
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      ICount:          162
      EdgeCount:       30
      CyclomaticComplexity: 9
      functionsReached:
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        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel31OBFFElectrostaticCalculationUFF7ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:541,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - 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:552,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:555,19'
          Dst:             _ZN9OpenBabel31OBFFElectrostaticCalculationUFF7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:559,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:560,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:564,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:564,102'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:564,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:566,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:571,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:572,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
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      functionLinenumberEnd: 576
      functionDepth:   0
      returnType:      double
      argCount:        1
      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:
        - Src:             'src/forcefields/forcefielduff.cpp:541,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - 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:552,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:555,19'
          Dst:             _ZN9OpenBabel31OBFFElectrostaticCalculationUFF7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:564,83'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:564,102'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:564,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:566,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:571,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:572,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel31OBFFElectrostaticCalculationUFF7ComputeILb0EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 503
      functionLinenumberEnd: 532
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         12
      ICount:          71
      EdgeCount:       23
      CyclomaticComplexity: 13
      functionsReached:
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        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - _ZN9OpenBabel6OBAtom11GetDistanceEPS0_
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:504,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefielduff.cpp:509,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:509,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:517,16'
          Dst:             _ZN9OpenBabel6OBAtom11GetDistanceEPS0_
        - Src:             'src/forcefields/forcefielduff.cpp:519,9'
          Dst:             _ZN9OpenBabel10IsNearZeroERKdd
        - Src:             'src/forcefields/forcefielduff.cpp:532,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:532,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:532,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:532,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
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      functionLinenumberEnd: 532
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      ICount:          95
      EdgeCount:       25
      CyclomaticComplexity: 13
      functionsReached:
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        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - _ZN9OpenBabel12OBForceField22VectorLengthDerivativeERNS_7vector3ES2_
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel7vector33GetEPd
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel7vector3aSERKS0_
        - _ZN9OpenBabel7vector3mLERKd
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:504,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefielduff.cpp:509,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:509,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:513,15'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefields/forcefielduff.cpp:513,10'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:514,15'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefields/forcefielduff.cpp:514,10'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:515,13'
          Dst:             _ZN9OpenBabel12OBForceField22VectorLengthDerivativeERNS_7vector3ES2_
        - Src:             'src/forcefields/forcefielduff.cpp:519,9'
          Dst:             _ZN9OpenBabel10IsNearZeroERKdd
        - Src:             'src/forcefields/forcefielduff.cpp:532,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:532,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:527,10'
          Dst:             _ZN9OpenBabel7vector3mLERKd
        - Src:             'src/forcefields/forcefielduff.cpp:528,10'
          Dst:             _ZN9OpenBabel7vector3mLERKd
        - Src:             'src/forcefields/forcefielduff.cpp:529,10'
          Dst:             _ZN9OpenBabel7vector33GetEPd
        - Src:             'src/forcefields/forcefielduff.cpp:530,10'
          Dst:             _ZN9OpenBabel7vector33GetEPd
        - Src:             'src/forcefields/forcefielduff.cpp:532,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:532,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel15OBForceFieldUFF5E_VDWILb1EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 459
      functionLinenumberEnd: 499
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         23
      ICount:          162
      EdgeCount:       30
      CyclomaticComplexity: 9
      functionsReached:
        - _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel21OBFFVDWCalculationUFF7ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:464,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - 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:475,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:478,19'
          Dst:             _ZN9OpenBabel21OBFFVDWCalculationUFF7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:482,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:483,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:487,81'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:487,100'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:487,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:489,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:494,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:495,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      functionLinenumber: 459
      functionLinenumberEnd: 499
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      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:464,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - 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:475,24'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefields/forcefielduff.cpp:478,19'
          Dst:             _ZN9OpenBabel21OBFFVDWCalculationUFF7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:487,81'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:487,100'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:487,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:489,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:494,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:495,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel21OBFFVDWCalculationUFF7ComputeILb0EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 412
      functionLinenumberEnd: 455
      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:413,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefielduff.cpp:418,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:418,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:433,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:433,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:433,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:433,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:433,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:433,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:433,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:433,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:433,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:433,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:433,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:433,23'
          Dst:             _ZN9OpenBabel6OBAtom13GetCoordinateEv
        - Src:             'src/forcefields/forcefielduff.cpp:455,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:455,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel21OBFFVDWCalculationUFF7ComputeILb1EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 412
      functionLinenumberEnd: 455
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         11
      ICount:          88
      EdgeCount:       11
      CyclomaticComplexity: 2
      functionsReached:
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:413,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEii
        - Src:             'src/forcefields/forcefielduff.cpp:418,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:418,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:422,13'
          Dst:             _ZN9OpenBabel12OBForceField24VectorDistanceDerivativeEPKdS2_PdS3_
        - Src:             'src/forcefields/forcefielduff.cpp:455,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:455,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:452,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefielduff.cpp:453,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefielduff.cpp:455,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:455,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel15OBForceFieldUFF5E_OOPILb1EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 374
      functionLinenumberEnd: 408
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         18
      ICount:          161
      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
        - _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel21OBFFOOPCalculationUFF7ComputeILb1EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:379,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - 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:386,19'
          Dst:             _ZN9OpenBabel21OBFFOOPCalculationUFF7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:390,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - 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:397,94'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:397,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:397,132'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:397,151'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:397,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:399,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:404,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:405,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel15OBForceFieldUFF5E_OOPILb0EEEdv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 374
      functionLinenumberEnd: 408
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         18
      ICount:          137
      EdgeCount:       23
      CyclomaticComplexity: 7
      functionsReached:
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel21OBFFOOPCalculationUFF7ComputeILb0EEEvv
        - _ZN9OpenBabel6OBAtom7GetTypeEv
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:379,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - 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:386,19'
          Dst:             _ZN9OpenBabel21OBFFOOPCalculationUFF7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:397,94'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:397,113'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:397,132'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:397,151'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:397,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:399,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:404,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:405,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
    - functionName:    _ZN9OpenBabel21OBFFOOPCalculationUFF7ComputeILb0EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 340
      functionLinenumberEnd: 370
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         23
      ICount:          151
      EdgeCount:       42
      CyclomaticComplexity: 21
      functionsReached:
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - _ZN9OpenBabel16Point2PlaneAngleENS_7vector3ES0_S0_S0_
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel7vector3C2ERKS0_
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - cos
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:341,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - Src:             'src/forcefields/forcefielduff.cpp:346,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:346,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:346,21'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:346,25'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:364,46'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefields/forcefielduff.cpp:364,43'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:364,62'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefields/forcefielduff.cpp:364,59'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:364,78'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefields/forcefielduff.cpp:364,75'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:364,94'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefields/forcefielduff.cpp:364,91'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/forcefields/forcefielduff.cpp:364,26'
          Dst:             _ZN9OpenBabel16Point2PlaneAngleENS_7vector3ES0_S0_S0_
        - Src:             'src/forcefields/forcefielduff.cpp:364,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:364,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:364,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:364,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:364,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:364,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:364,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:364,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:369,32'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:369,50'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:370,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:370,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:370,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:370,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:370,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:370,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:370,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:370,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel21OBFFOOPCalculationUFF7ComputeILb1EEEvv
      functionSourceFile: '/src/openbabel/src/forcefields/forcefielduff.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 340
      functionLinenumberEnd: 370
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         11
      ICount:          121
      EdgeCount:       11
      CyclomaticComplexity: 2
      functionsReached:
        - _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - _ZN9OpenBabel12OBForceField19VectorOOPDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - cos
        - sin
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefields/forcefielduff.cpp:341,9'
          Dst:             _ZN9OpenBabel12OBForceField17IgnoreCalculationEiiii
        - Src:             'src/forcefields/forcefielduff.cpp:346,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:346,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:346,21'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:346,25'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:350,15'
          Dst:             _ZN9OpenBabel12OBForceField19VectorOOPDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
        - Src:             'src/forcefields/forcefielduff.cpp:370,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:370,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:370,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:370,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:358,23'
          Dst:             sin
        - Src:             'src/forcefields/forcefielduff.cpp:358,47'
          Dst:             sin
        - Src:             'src/forcefields/forcefielduff.cpp:359,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - 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:369,32'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:369,50'
          Dst:             cos
        - Src:             'src/forcefields/forcefielduff.cpp:370,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:370,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel25OBFFTorsionCalculationUFF7ComputeILb0EEEvv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:316,45'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:317,26'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      BranchProfiles:  []
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:249,21'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:249,25'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:260,20'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:260,30'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:262,16'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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        - Src:             'src/forcefields/forcefielduff.cpp:262,7'
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          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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          Dst:             _ZNK9OpenBabel7vector36lengthEv
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        - Src:             'src/forcefields/forcefielduff.cpp:275,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:275,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:275,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:275,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:287,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:287,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:287,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:275,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:275,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:275,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:275,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:275,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:287,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:287,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:287,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:287,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:249,21'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:249,25'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:254,13'
          Dst:             _ZN9OpenBabel12OBForceField23VectorTorsionDerivativeEPdS1_S1_S1_S1_S1_S1_S1_
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        - Src:             'src/forcefields/forcefielduff.cpp:287,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:287,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:287,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             sin
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          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
        - Src:             'src/forcefields/forcefielduff.cpp:285,7'
          Dst:             _ZN9OpenBabel12OBForceField18VectorSelfMultiplyEPdd
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:287,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:287,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      BranchProfiles:  []
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        - Src:             'src/forcefields/forcefielduff.cpp:211,7'
          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:218,19'
          Dst:             _ZN9OpenBabel23OBFFAngleCalculationUFF7ComputeILb1EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:222,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:223,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:224,9'
          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:228,104'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:228,123'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:229,26'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:228,9'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:230,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:235,7'
          Dst:             snprintf
        - Src:             'src/forcefields/forcefielduff.cpp:236,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      functionLinenumberEnd: 239
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      argTypes:
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        - _ZN9OpenBabel6OBAtom7GetTypeEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:211,7'
          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:218,19'
          Dst:             _ZN9OpenBabel23OBFFAngleCalculationUFF7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:228,104'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZNK9OpenBabel7vector3ixEj
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        - Src:             'src/forcefields/forcefielduff.cpp:194,46'
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        - Src:             'src/forcefields/forcefielduff.cpp:201,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:201,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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        - Src:             'src/forcefields/forcefielduff.cpp:86,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel22OBFFBondCalculationUFF7ComputeILb1EEEvv
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          Dst:             _ZN9OpenBabel12OBForceField11AddGradientEPdi
        - Src:             'src/forcefields/forcefielduff.cpp:102,26'
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          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:86,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:87,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel22OBFFBondCalculationUFF7ComputeILb0EEEvv
        - Src:             'src/forcefields/forcefielduff.cpp:102,26'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:102,45'
          Dst:             _ZN9OpenBabel6OBAtom7GetTypeEv
        - Src:             'src/forcefields/forcefielduff.cpp:101,9'
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefields/forcefielduff.cpp:109,7'
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:56,22'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefields/forcefielduff.cpp:62,13'
          Dst:             _ZN9OpenBabel12OBForceField14VectorDistanceEPdS1_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:75,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:75,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:75,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefields/forcefielduff.cpp:75,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3dVERKd
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          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
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        - Src:             'src/depict/depict.cpp:329,14'
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:334,28'
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          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/depict/depict.cpp:341,31'
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
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          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
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          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
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          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
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        - int
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
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        - ''
      BBCount:         125
      ICount:          827
      EdgeCount:       236
      CyclomaticComplexity: 113
      functionsReached:
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        - _ZN9OpenBabel5crossERKNS_7vector3ES2_
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      BranchProfiles:  []
      Callsites:
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        - Src:             'src/depict/depict.cpp:789,21'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
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          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/depict/depict.cpp:793,8'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
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          Dst:             _ZN9OpenBabel15OBDepictPrivate8HasLabelEPNS_6OBAtomE
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          Dst:             _ZN9OpenBabel7vector3pLERKS0_
        - Src:             'src/depict/depict.cpp:796,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel15OBDepictPrivate8HasLabelEPNS_6OBAtomE
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          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
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          Dst:             _ZN9OpenBabel7vector3mIERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector31xEv
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          Dst:             _ZN9OpenBabel7vector31yEv
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          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:801,60'
          Dst:             _ZN9OpenBabel7vector31yEv
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          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
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          Dst:             _ZN9OpenBabel5crossERKNS_7vector3ES2_
        - Src:             'src/depict/depict.cpp:803,55'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/depict/depict.cpp:803,32'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/depict/depict.cpp:803,32'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel15OBDepictPrivate8HasLabelEPNS_6OBAtomE
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          Dst:             _ZN9OpenBabel15OBDepictPrivate8HasLabelEPNS_6OBAtomE
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:808,11'
          Dst:             _ZN9OpenBabel15OBDepictPrivate8HasLabelEPNS_6OBAtomE
        - Src:             'src/depict/depict.cpp:808,43'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/depict/depict.cpp:810,11'
          Dst:             _ZN9OpenBabel15OBDepictPrivate8HasLabelEPNS_6OBAtomE
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          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/depict/depict.cpp:820,41'
          Dst:             _ZN9OpenBabelmlERKNS_7vector3ERKd
        - Src:             'src/depict/depict.cpp:820,47'
          Dst:             _ZN9OpenBabelmlERKNS_7vector3ERKd
        - Src:             'src/depict/depict.cpp:820,26'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:822,35'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:822,48'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:822,59'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:822,72'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:823,33'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:823,46'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:823,55'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:823,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:824,35'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:824,48'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:824,59'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:824,72'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:825,33'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:825,46'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:825,55'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:825,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:820,26'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:828,35'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:828,48'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:828,59'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:828,72'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:829,33'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:829,46'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:829,55'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:829,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:830,35'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:830,48'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:830,59'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:830,72'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:831,33'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:831,46'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:831,55'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:831,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:833,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:833,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:838,42'
          Dst:             _ZN9OpenBabelmlERKNS_7vector3ERKd
        - Src:             'src/depict/depict.cpp:839,30'
          Dst:             _ZN9OpenBabelmlERKNS_7vector3ERKd
        - Src:             'src/depict/depict.cpp:840,27'
          Dst:             _ZN9OpenBabelngERKNS_7vector3E
        - Src:             'src/depict/depict.cpp:840,32'
          Dst:             _ZN9OpenBabelmlERKNS_7vector3ERKd
        - Src:             'src/depict/depict.cpp:840,27'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:842,13'
          Dst:             _ZN9OpenBabel15OBDepictPrivate8HasLabelEPNS_6OBAtomE
        - Src:             'src/depict/depict.cpp:843,19'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/depict/depict.cpp:840,27'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:844,13'
          Dst:             _ZN9OpenBabel15OBDepictPrivate8HasLabelEPNS_6OBAtomE
        - Src:             'src/depict/depict.cpp:845,19'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/depict/depict.cpp:847,33'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:847,44'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:847,53'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:847,62'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:848,33'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:848,47'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:848,61'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:849,33'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:849,47'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:849,61'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:850,31'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:850,45'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:850,59'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:851,31'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:851,45'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:851,59'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:852,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:852,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:852,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:852,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:852,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:852,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:853,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:853,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:854,42'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/depict/depict.cpp:854,32'
          Dst:             _ZN9OpenBabel5crossERKNS_7vector3ES2_
        - Src:             'src/depict/depict.cpp:854,55'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/depict/depict.cpp:854,32'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/depict/depict.cpp:854,32'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:854,32'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:855,39'
          Dst:             _ZN9OpenBabelmlERKNS_7vector3ERKd
        - Src:             'src/depict/depict.cpp:855,45'
          Dst:             _ZN9OpenBabelmlERKNS_7vector3ERKd
        - Src:             'src/depict/depict.cpp:855,24'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:856,31'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:856,42'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:856,51'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:856,60'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:857,31'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:857,44'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:857,55'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:857,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:858,29'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:858,42'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:858,51'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:858,64'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:859,31'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:859,44'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:859,55'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:859,68'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:860,29'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:860,42'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/depict/depict.cpp:860,51'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:860,64'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/depict/depict.cpp:861,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:861,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:854,32'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:854,32'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:855,24'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:861,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:861,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:862,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:862,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:862,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:862,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:862,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:862,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      linkageType:     externalLinkage
      functionLinenumber: 734
      functionLinenumberEnd: 755
      functionDepth:   0
      returnType:      void
      argCount:        3
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         35
      ICount:          234
      EdgeCount:       61
      CyclomaticComplexity: 28
      functionsReached:
        - _ZN9OpenBabel15OBDepictPrivate8HasLabelEPNS_6OBAtomE
        - _ZN9OpenBabel5crossERKNS_7vector3ES2_
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel7vector31xEv
        - _ZN9OpenBabel7vector31yEv
        - _ZN9OpenBabel7vector39normalizeEv
        - _ZN9OpenBabel7vector3C2ERKS0_
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel7vector3mIERKS0_
        - _ZN9OpenBabel7vector3mLERKd
        - _ZN9OpenBabel7vector3pLERKS0_
        - _ZN9OpenBabelmiERKNS_7vector3ES2_
        - _ZN9OpenBabelmlERKdRKNS_7vector3E
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/depict/depict.cpp:735,32'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/depict/depict.cpp:735,21'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/depict/depict.cpp:736,28'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/depict/depict.cpp:736,19'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/depict/depict.cpp:737,22'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/depict/depict.cpp:739,9'
          Dst:             _ZN9OpenBabel15OBDepictPrivate8HasLabelEPNS_6OBAtomE
        - Src:             'src/depict/depict.cpp:740,21'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/depict/depict.cpp:740,13'
          Dst:             _ZN9OpenBabel7vector3pLERKS0_
        - Src:             'src/depict/depict.cpp:740,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:741,9'
          Dst:             _ZN9OpenBabel15OBDepictPrivate8HasLabelEPNS_6OBAtomE
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          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/depict/depict.cpp:742,11'
          Dst:             _ZN9OpenBabel7vector3mIERKS0_
        - Src:             'src/depict/depict.cpp:742,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/depict/depict.cpp:744,30'
          Dst:             _ZN9OpenBabel5crossERKNS_7vector3ES2_
        - Src:             'src/depict/depict.cpp:745,20'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/depict/depict.cpp:746,20'
          Dst:             _ZN9OpenBabel7vector3mLERKd
        - Src:             'src/depict/depict.cpp:749,53'
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        - Src:             'include/openbabel/math/vector3.h:302,28'
          Dst:             _ZNK9OpenBabel7vector31zEv
    - functionName:    _ZN9OpenBabel8OBDepict12DrawMoleculeEPNS_5OBMolE
      functionSourceFile: '/src/openbabel/src/depict/depict.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 380
      functionLinenumberEnd: 693
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         443
      ICount:          2204
      EdgeCount:       831
      CyclomaticComplexity: 390
      functionsReached:
        - _ZN9OpenBabel10OBElements6GetRGBEjPdS1_S1_
        - _ZN9OpenBabel10OBElements9GetSymbolEj
        - _ZN9OpenBabel14OBStereoFacade17GetCisTransStereoEm
        - _ZN9OpenBabel14OBStereoFacade17HasCisTransStereoEm
        - _ZN9OpenBabel14OBStereoFacadeC2EPNS_5OBMolEb
        - _ZN9OpenBabel14OBStereoFacadeD2Ev
        - _ZN9OpenBabel15OBDepictPrivate8HasLabelEPNS_6OBAtomE
        - _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - _ZN9OpenBabel17GetLabelAlignmentEPNS_6OBAtomE
        - _ZN9OpenBabel20TetStereoToWedgeHashERNS_5OBMolERNSt3__13mapIPNS_6OBBondENS_8OBStereo13BondDirectionENS2_4lessIS5_EENS2_9allocatorINS2_4pairIKS5_S7_EEEEEERNS3_IS5_mS9_NSA_INSB_ISC_mEEEEEE
        - _ZN9OpenBabel5OBMol7GetSSSREv
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel5OBMolC2ERKS0_
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel6OBAtom9SetVectorEddd
        - _ZN9OpenBabel6OBBase7GetDataEPKc
        - _ZN9OpenBabel6OBBase7GetDataEj
        - _ZN9OpenBabel6OBBase7HasDataEPKc
        - _ZN9OpenBabel6OBBase7HasDataEj
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZN9OpenBabel6OBRing10IsAromaticEv
        - _ZN9OpenBabel7OBColorC2ERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel7OBColorC2Edddd
        - _ZN9OpenBabel7vector31zEv
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel7vector3aSERKS0_
        - _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - _ZN9OpenBabel8OBBitVecC2Ev
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZN9OpenBabelL17AssignRadicalDotsEPNS_6OBAtomE
        - _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel5OBMol8NumBondsEv
        - _ZNK9OpenBabel6OBAtom10GetIsotopeEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom17GetImplicitHCountEv
        - _ZNK9OpenBabel6OBAtom4GetXEv
        - _ZNK9OpenBabel6OBAtom4GetYEv
        - _ZNK9OpenBabel6OBAtom4GetZEv
        - _ZNK9OpenBabel6OBAtom5GetIdEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel6OBBond5GetIdEv
        - _ZNK9OpenBabel6OBBond9GetLengthEv
        - _ZNK9OpenBabel7vector36distSqERKS0_
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - _ZNK9OpenBabel9AliasData10IsExpandedEv
        - _ZNK9OpenBabel9AliasData8GetAliasEb
        - _ZNK9OpenBabel9AliasData8GetColorEv
        - __dynamic_cast
        - sqrt
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - 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:     externalLinkage
      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_
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
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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/stereo/perception.cpp:2905,17'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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        - Src:             'src/stereo/perception.cpp:2913,54'
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          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
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          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
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigaSEOS1_
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/stereo/perception.cpp:2928,47'
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        - Src:             'src/stereo/perception.cpp:2127,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:2127,7'
          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'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2153,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2153,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2153,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2153,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2155,36'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/stereo/perception.cpp:2156,29'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/stereo/perception.cpp:2157,19'
          Dst:             _ZNK9OpenBabel6OBBond13IsWedgeOrHashEv
        - Src:             'src/stereo/perception.cpp:2157,44'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:2184,21'
          Dst:             _ZN9OpenBabel10VolumeSignERKNS_7vector3ES2_S2_S2_
        - Src:             'src/stereo/perception.cpp:2188,37'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereoC2EPNS_5OBMolE
        - Src:             'src/stereo/perception.cpp:2189,11'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo9SetConfigERKNS0_6ConfigE
        - Src:             'src/stereo/perception.cpp:2194,14'
          Dst:             _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - Src:             'src/stereo/perception.cpp:2195,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2195,5'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/stereo/perception.cpp:2195,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/stereo/perception.cpp:2195,5'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
    - functionName:    _ZN9OpenBabel14CisTransFrom0DEPNS_5OBMolERKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEEb
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      linkageType:     externalLinkage
      functionLinenumber: 1939
      functionLinenumberEnd: 2059
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
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        - 'N/A'
        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         192
      ICount:          910
      EdgeCount:       375
      CyclomaticComplexity: 185
      functionsReached:
        - _ZN9OpenBabel16OBCisTransStereo6ConfigC2Ev
        - _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
        - _ZN9OpenBabel16OBCisTransStereo6ConfigaSEOS1_
        - _ZN9OpenBabel16OBCisTransStereo9SetConfigERKNS0_6ConfigE
        - _ZN9OpenBabel16OBCisTransStereoC2EPNS_5OBMolE
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - _ZN9OpenBabel6OBBase10DeleteDataEPNS_13OBGenericDataE
        - _ZN9OpenBabel6OBBase10GetAllDataEj
        - _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZN9OpenBabel6OBRing8IsMemberEPNS_6OBAtomE
        - _ZNK9OpenBabel16OBCisTransStereo5IsCisEmm
        - _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - _ZNK9OpenBabel5OBMol11GetBondByIdEm
        - _ZNK9OpenBabel6OBAtom5GetIdEv
        - _ZNK9OpenBabel6OBBond16FindSmallestRingEv
        - _ZNK9OpenBabel6OBBond5GetIdEv
        - _ZNK9OpenBabel6OBRing4SizeEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - __dynamic_cast
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/stereo/perception.cpp:1941,16'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/stereo/perception.cpp:1952,51'
          Dst:             _ZN9OpenBabel6OBBase10GetAllDataEj
        - Src:             'src/stereo/perception.cpp:1955,32'
          Dst:             __dynamic_cast
        - Src:             'src/stereo/perception.cpp:1956,47'
          Dst:             _ZNK9OpenBabel16OBCisTransStereo9GetConfigENS_8OBStereo5ShapeE
        - Src:             'src/stereo/perception.cpp:1959,26'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:1962,9'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:1962,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/stereo/perception.cpp:1962,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/stereo/perception.cpp:1963,41'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:1963,57'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1964,39'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/stereo/perception.cpp:1964,53'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1967,24'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/stereo/perception.cpp:1974,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/stereo/perception.cpp:1975,16'
          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_
        - Src:             'src/stereo/perception.cpp:1997,9'
          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
        - Src:             'src/stereo/perception.cpp:2007,9'
          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
        - Src:             'src/stereo/perception.cpp:2020,38'
          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
        - Src:             'src/stereo/perception.cpp:2039,80'
          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
    - functionName:    _ZN9OpenBabel17TetrahedralFrom0DEPNS_5OBMolERKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEEb
      functionSourceFile: '/src/openbabel/src/stereo/perception.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1866
      functionLinenumberEnd: 1934
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         109
      ICount:          530
      EdgeCount:       210
      CyclomaticComplexity: 103
      functionsReached:
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel19OBTetrahedralStereo6ConfigC2Ev
        - _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - _ZN9OpenBabel19OBTetrahedralStereo9SetConfigERKNS0_6ConfigE
        - _ZN9OpenBabel19OBTetrahedralStereoC2EPNS_5OBMolE
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel6OBBase10DeleteDataEPNS_13OBGenericDataE
        - _ZN9OpenBabel6OBBase10GetAllDataEj
        - _ZN9OpenBabel6OBBase7SetDataEPNS_13OBGenericDataE
        - _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - _ZNK9OpenBabel6OBAtom5GetIdEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - __dynamic_cast
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/stereo/perception.cpp:1868,16'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/stereo/perception.cpp:1874,51'
          Dst:             _ZN9OpenBabel6OBBase10GetAllDataEj
        - Src:             'src/stereo/perception.cpp:1877,35'
          Dst:             __dynamic_cast
        - Src:             'src/stereo/perception.cpp:1878,36'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/stereo/perception.cpp:1878,32'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/stereo/perception.cpp:1893,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/stereo/perception.cpp:1894,16'
          Dst:             _ZN9OpenBabel6OBBase10DeleteDataEPNS_13OBGenericDataE
        - Src:             'src/stereo/perception.cpp:1909,29'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/stereo/perception.cpp:1911,35'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigC2Ev
        - Src:             'src/stereo/perception.cpp:1914,7'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:1914,7'
          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_
        - Src:             'src/stereo/perception.cpp:1924,37'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereoC2EPNS_5OBMolE
        - Src:             'src/stereo/perception.cpp:1925,11'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo9SetConfigERKNS0_6ConfigE
        - 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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      linkageType:     externalLinkage
      functionLinenumber: 1832
      functionLinenumberEnd: 1837
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
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        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         5
      ICount:          29
      EdgeCount:       8
      CyclomaticComplexity: 5
      functionsReached:
        - _ZN9OpenBabel10OBGraphSym11GetSymmetryERNSt3__16vectorIjNS1_9allocatorIjEEEE
        - _ZN9OpenBabel10OBGraphSymC2EPNS_5OBMolEPKNS_8OBBitVecE
        - _ZN9OpenBabel10OBGraphSymD2Ev
      functionUses:    3
      BranchProfiles:  []
      Callsites:
        - Src:             'src/stereo/perception.cpp:1833,16'
          Dst:             _ZN9OpenBabel10OBGraphSymC2EPNS_5OBMolEPKNS_8OBBitVecE
        - Src:             'src/stereo/perception.cpp:1835,14'
          Dst:             _ZN9OpenBabel10OBGraphSym11GetSymmetryERNSt3__16vectorIjNS1_9allocatorIjEEEE
        - Src:             'src/stereo/perception.cpp:1837,3'
          Dst:             _ZN9OpenBabel10OBGraphSymD2Ev
        - Src:             'src/stereo/perception.cpp:1837,3'
          Dst:             _ZN9OpenBabel10OBGraphSymD2Ev
    - functionName:    _ZN9OpenBabel14StereoInverted7computeEPNS_5OBMolERKNSt3__16vectorIjNS3_9allocatorIjEEEERKNS4_INS4_INS3_4pairIjjEENS5_ISB_EEEENS5_ISD_EEEE
      functionSourceFile: '/src/openbabel/src/stereo/perception.cpp'
      linkageType:     InternalLinkage
      functionLinenumber: 1393
      functionLinenumberEnd: 1461
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         54
      ICount:          205
      EdgeCount:       101
      CyclomaticComplexity: 49
      functionsReached:
        - _ZN9OpenBabel14StereoInverted32permutationInvertsCisTransCenterERKNSt3__16vectorINS1_4pairIjjEENS1_9allocatorIS4_EEEEPNS_6OBBondERKNS2_IjNS5_IjEEEE
        - _ZN9OpenBabel14StereoInverted35permutationInvertsTetrahedralCenterERKNSt3__16vectorINS1_4pairIjjEENS1_9allocatorIS4_EEEEPNS_6OBAtomERKNS2_IjNS5_IjEEEESF_
        - _ZN9OpenBabel14StereoInverted5EntryC2Ev
        - _ZN9OpenBabel14StereoInverted5EntryD2Ev
        - _ZN9OpenBabel15CanonicalLabelsEPNS_5OBMolERKNSt3__16vectorIjNS2_9allocatorIjEEEERS6_RKNS_8OBBitVecEib
        - _ZN9OpenBabel19isPotentialCisTransEPNS_6OBBondE
        - _ZN9OpenBabel22isPotentialTetrahedralEPNS_6OBAtomE
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _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:     externalLinkage
      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:     externalLinkage
      functionLinenumber: 174
      functionLinenumberEnd: 186
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      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:     externalLinkage
      functionLinenumber: 1608
      functionLinenumberEnd: 1823
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
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        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
        - ''
        - ''
      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'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:1762,17'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:1762,17'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:1762,17'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:1762,17'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:1763,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/stereo/perception.cpp:1763,47'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/stereo/perception.cpp:1763,75'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/stereo/perception.cpp:1763,93'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/stereo/perception.cpp:1762,17'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:1762,17'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:1769,78'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:1769,32'
          Dst:             _ZN9OpenBabel27containsAtLeast_1true_1paraEPNS_6OBAtomES1_RKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEE
        - Src:             'src/stereo/perception.cpp:1786,17'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/stereo/perception.cpp:1786,17'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:1786,17'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:1786,17'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:1786,17'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:1786,17'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:1787,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/stereo/perception.cpp:1787,47'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/stereo/perception.cpp:1787,75'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/stereo/perception.cpp:1787,93'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/stereo/perception.cpp:1786,17'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:1786,17'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:1793,76'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/stereo/perception.cpp:1793,30'
          Dst:             _ZN9OpenBabel27containsAtLeast_1true_1paraEPNS_6OBAtomES1_RKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEE
        - Src:             'src/stereo/perception.cpp:1799,68'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/stereo/perception.cpp:1799,29'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/stereo/perception.cpp:1800,39'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/stereo/perception.cpp:1717,65'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
    - functionName:    _ZN9OpenBabel24mayHaveTetrahedralCenterEPNS_5OBMolE
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      functionLinenumberEnd: 108
      functionDepth:   0
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      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         14
      ICount:          56
      EdgeCount:       18
      CyclomaticComplexity: 6
      functionsReached:
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        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - _ZNK9OpenBabel6OBAtom6GetHybEv
      functionUses:    2
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - Src:             'src/stereo/perception.cpp:104,17'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/stereo/perception.cpp:104,40'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/stereo/perception.cpp:103,63'
          Dst:             _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
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      constantsTouched: []
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      BBCount:         11
      ICount:          44
      EdgeCount:       14
      CyclomaticComplexity: 5
      functionsReached:
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        - _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/stereo/perception.cpp:117,30'
          Dst:             _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/stereo/perception.cpp:118,17'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/stereo/perception.cpp:117,63'
          Dst:             _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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      argTypes:
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        - 'N/A'
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      constantsTouched: []
      argNames:
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      BBCount:         66
      ICount:          295
      EdgeCount:       72
      CyclomaticComplexity: 8
      functionsReached:
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        - _ZN9OpenBabel5OBMol7GetSSSREv
        - _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - _ZN9OpenBabel8OBBitVecC2Ev
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel8OBBitVec8BitIsSetEj
      functionUses:    2
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel5OBMol7GetSSSREv
        - Src:             'src/stereo/perception.cpp:338,25'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/stereo/perception.cpp:346,82'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/stereo/perception.cpp:346,32'
          Dst:             _ZN9OpenBabel32classifyTetrahedralNbrSymClassesERKNSt3__16vectorIjNS0_9allocatorIjEEEEPNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:354,23'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/stereo/perception.cpp:361,18'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/stereo/perception.cpp:363,13'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/stereo/perception.cpp:365,7'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/stereo/perception.cpp:365,7'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel32classifyTetrahedralNbrSymClassesERKNSt3__16vectorIjNS0_9allocatorIjEEEEPNS_6OBAtomE
      functionSourceFile: '/src/openbabel/src/stereo/perception.cpp'
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      functionLinenumberEnd: 298
      functionDepth:   0
      returnType:      int
      argCount:        2
      argTypes:
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        - 'N/A'
      constantsTouched: []
      argNames:
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      BBCount:         37
      ICount:          187
      EdgeCount:       64
      CyclomaticComplexity: 29
      functionsReached:
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel6OBAtom8GetIndexEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
      functionUses:    3
      BranchProfiles:
        - Branch String:   'src/stereo/perception.cpp:283,5'
          Branch Sides:    []
      Callsites:
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          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:271,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:271,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:271,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:271,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:272,47'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:271,5'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:271,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
    - functionName:    _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
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      argCount:        4
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         1
      ICount:          10
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    18
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel27findDuplicatedSymmetryClassEPNS_6OBAtomERKNSt3__16vectorIjNS2_9allocatorIjEEEE
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      linkageType:     externalLinkage
      functionLinenumber: 1194
      functionLinenumberEnd: 1208
      functionDepth:   0
      returnType:      int
      argCount:        2
      argTypes:
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        - 'N/A'
      constantsTouched: []
      argNames:
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      BBCount:         29
      ICount:          134
      EdgeCount:       55
      CyclomaticComplexity: 28
      functionsReached:
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        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel6OBAtom8GetIndexEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
      functionUses:    5
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:1198,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:1198,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:1198,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:1198,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:1199,50'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:1198,5'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:1198,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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      functionLinenumberEnd: 1489
      functionDepth:   0
      returnType:      'N/A'
      argCount:        3
      argTypes:
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      constantsTouched: []
      argNames:
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        - ''
        - ''
      BBCount:         12
      ICount:          70
      EdgeCount:       15
      CyclomaticComplexity: 5
      functionsReached:
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        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel6OBAtom8GetIndexEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
      functionUses:    9
      BranchProfiles:  []
      Callsites:
        - Src:             'src/stereo/perception.cpp:1486,5'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:1486,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:1486,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:1486,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:1486,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:1487,30'
          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
        - Src:             'src/stereo/perception.cpp:1486,5'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:1486,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
    - functionName:    _ZN9OpenBabel27containsAtLeast_1true_2paraEPNS_6OBAtomES1_RKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEE
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      linkageType:     externalLinkage
      functionLinenumber: 1521
      functionLinenumberEnd: 1544
      functionDepth:   0
      returnType:      bool
      argCount:        3
      argTypes:
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        - _ZN9OpenBabel10StereoRing8ParaBondC2Emjj
        - _ZN9OpenBabel10StereoRing8ParaBondD2Ev
        - _ZN9OpenBabel10StereoRingC2Ev
        - _ZN9OpenBabel10StereoRingD2Ev
        - _ZN9OpenBabel10mergeRingsEPNS_5OBMolERKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - _ZN9OpenBabel11getFragmentEPNS_6OBAtomES1_
        - _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - _ZN9OpenBabel19mayHaveCisTransBondEPNS_5OBMolE
        - _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - _ZN9OpenBabel22isPotentialTetrahedralEPNS_6OBAtomE
        - _ZN9OpenBabel24mayHaveTetrahedralCenterEPNS_5OBMolE
        - _ZN9OpenBabel25findAtomWithSymmetryClassEPNS_6OBAtomEjRKNSt3__16vectorIjNS2_9allocatorIjEEEE
        - _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
        - _ZN9OpenBabel5OBMol7GetLSSREv
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBAtom13HasSingleBondEv
        - _ZN9OpenBabel6OBBond10GetEndAtomEv
        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol11GetBondByIdEm
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol7GetBondEi
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - _ZNK9OpenBabel6OBAtom21ExplicitHydrogenCountEb
        - _ZNK9OpenBabel6OBAtom5GetIdEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBAtom8GetIndexEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - _ZNK9OpenBabel6OBBond5GetIdEv
        - _ZNK9OpenBabel6OBBond6GetIdxEv
        - _ZNK9OpenBabel6OBBond8IsInRingEv
        - _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_
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          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
        - Src:             'src/stereo/perception.cpp:1070,87'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:1070,33'
          Dst:             _ZN9OpenBabel29classifyCisTransNbrSymClassesERKNSt3__16vectorIjNS0_9allocatorIjEEEEPNS_6OBBondEPNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:1080,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:1080,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:1080,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:1080,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:1080,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:1081,25'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/stereo/perception.cpp:1081,43'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/stereo/perception.cpp:1081,71'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/stereo/perception.cpp:1081,89'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/stereo/perception.cpp:1080,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:1080,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:1087,31'
          Dst:             _ZN9OpenBabel11getFragmentEPNS_6OBAtomES1_
        - Src:             'src/stereo/perception.cpp:1100,11'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/stereo/perception.cpp:1090,28'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/stereo/perception.cpp:1093,37'
          Dst:             _ZNK9OpenBabel5OBMol11GetBondByIdEm
        - Src:             'src/stereo/perception.cpp:1094,39'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/stereo/perception.cpp:1095,37'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/stereo/perception.cpp:1096,44'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1096,28'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/stereo/perception.cpp:1096,77'
          Dst:             _ZNK9OpenBabel6OBAtom5GetIdEv
        - Src:             'src/stereo/perception.cpp:1096,63'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/stereo/perception.cpp:1100,11'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/stereo/perception.cpp:1100,11'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/stereo/perception.cpp:1107,85'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/stereo/perception.cpp:1107,31'
          Dst:             _ZN9OpenBabel29classifyCisTransNbrSymClassesERKNSt3__16vectorIjNS0_9allocatorIjEEEEPNS_6OBBondEPNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:1117,13'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/stereo/perception.cpp:1117,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/stereo/perception.cpp:1117,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/stereo/perception.cpp:1117,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:1117,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/stereo/perception.cpp:1118,25'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/stereo/perception.cpp:1118,43'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/stereo/perception.cpp:1118,71'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/stereo/perception.cpp:1118,89'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/stereo/perception.cpp:1117,13'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/stereo/perception.cpp:1117,13'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/stereo/perception.cpp:1124,31'
          Dst:             _ZN9OpenBabel11getFragmentEPNS_6OBAtomES1_
        - Src:             'src/stereo/perception.cpp:1137,11'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/stereo/perception.cpp:1127,28'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/stereo/perception.cpp:1130,37'
          Dst:             _ZNK9OpenBabel5OBMol11GetBondByIdEm
        - Src:             'src/stereo/perception.cpp:1131,39'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - 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
        - Src:             'src/stereo/perception.cpp:1133,63'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/stereo/perception.cpp:1137,11'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/stereo/perception.cpp:1137,11'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/stereo/perception.cpp:1142,64'
          Dst:             _ZNK9OpenBabel6OBBond5GetIdEv
        - Src:             'src/stereo/perception.cpp:1142,25'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
    - functionName:    _ZN9OpenBabel10StartRule1ERKNSt3__16vectorIjNS0_9allocatorIjEEEERKNS1_INS_10StereoRingENS2_IS7_EEEERNS1_INS_12OBStereoUnitENS2_ISC_EEEERS4_
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      linkageType:     externalLinkage
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      functionLinenumberEnd: 695
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
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        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
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      BBCount:         117
      ICount:          534
      EdgeCount:       125
      CyclomaticComplexity: 10
      functionsReached:
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        - _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - _ZN9OpenBabel12checkLigandsINS_10StereoRing8ParaAtomEEEbRKT_RKNSt3__16vectorINS_12OBStereoUnitENS6_9allocatorIS8_EEEE
        - _ZN9OpenBabel12checkLigandsINS_10StereoRing8ParaBondEEEbRKT_RKNSt3__16vectorINS_12OBStereoUnitENS6_9allocatorIS8_EEEE
        - _ZN9OpenBabel6OBAtom9GetParentEv
        - _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - _ZNK9OpenBabel5OBMol11GetBondByIdEm
        - _ZNK9OpenBabel6OBAtom5GetIdEv
        - _ZNK9OpenBabel6OBAtom8GetIndexEv
        - _ZNK9OpenBabel6OBBond5GetIdEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/stereo/perception.cpp:616,13'
          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
        - Src:             'src/stereo/perception.cpp:628,23'
          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
    - functionName:    _ZN9OpenBabel10ApplyRule1INS_10StereoRing8ParaAtomEEEbRKT_RKNSt3__16vectorIjNS6_9allocatorIjEEEERKNS7_IS1_NS8_IS1_EEEERNS7_IbNS8_IbEEEERKNS7_INS_12OBStereoUnitENS8_ISK_EEEESA_
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      linkageType:     InternalLinkage
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      functionLinenumberEnd: 599
      functionDepth:   0
      returnType:      bool
      argCount:        6
      argTypes:
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        - 'N/A'
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
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        - ''
      BBCount:         58
      ICount:          309
      EdgeCount:       76
      CyclomaticComplexity: 20
      functionsReached:
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        - _ZN9OpenBabel10ApplyRule1INS_10StereoRing8ParaBondEEEbRKT_RKNSt3__16vectorIjNS6_9allocatorIjEEEERKNS7_IS1_NS8_IS1_EEEERNS7_IbNS8_IbEEEERKNS7_INS_12OBStereoUnitENS8_ISK_EEEESA_
        - _ZNK9OpenBabel10StereoRing8ParaAtom8isInRingERKS0_
        - _ZNK9OpenBabel6OBAtom8GetIndexEv
      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_
    - functionName:    _ZN9OpenBabel12checkLigandsINS_10StereoRing8ParaAtomEEEbRKT_RKNSt3__16vectorINS_12OBStereoUnitENS6_9allocatorIS8_EEEE
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      linkageType:     InternalLinkage
      functionLinenumber: 465
      functionLinenumberEnd: 481
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         16
      ICount:          84
      EdgeCount:       18
      CyclomaticComplexity: 4
      functionsReached:
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        - _ZN9OpenBabel16isUnitInFragmentEPNS_5OBMolERKNS_12OBStereoUnitERKNS_8OBBitVecE
        - _ZN9OpenBabel6OBAtom9GetParentEv
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZNK9OpenBabel5OBMol7GetAtomEi
      functionUses:    1
      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'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel10ApplyRule1INS_10StereoRing8ParaBondEEEbRKT_RKNSt3__16vectorIjNS6_9allocatorIjEEEERKNS7_IS1_NS8_IS1_EEEERNS7_IbNS8_IbEEEERKNS7_INS_12OBStereoUnitENS8_ISK_EEEESA_
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      linkageType:     InternalLinkage
      functionLinenumber: 488
      functionLinenumberEnd: 599
      functionDepth:   0
      returnType:      bool
      argCount:        6
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
        - ''
        - ''
      BBCount:         58
      ICount:          309
      EdgeCount:       76
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        - Src:             'src/atom.cpp:1305,21'
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        - Src:             'src/atom.cpp:1311,27'
          Dst:             _ZN9OpenBabel6OBBond9SetLengthEPNS_6OBAtomEd
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        - Src:             'src/atom.cpp:1323,20'
          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/atom.cpp:1324,21'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/atom.cpp:1323,46'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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        - Src:             'src/atom.cpp:1338,22'
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        - Src:             'src/atom.cpp:1337,46'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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        - Src:             'src/atom.cpp:1372,26'
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        - Src:             'src/atom.cpp:1372,38'
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        - Src:             'src/atom.cpp:1373,20'
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        - Src:             'src/atom.cpp:1392,24'
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        - Src:             'src/atom.cpp:1393,25'
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        - Src:             'src/atom.cpp:1400,42'
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        - Src:             'src/atom.cpp:1400,41'
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        - Src:             'src/atom.cpp:1402,30'
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        - Src:             'src/atom.cpp:1402,42'
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        - Src:             'src/atom.cpp:1402,41'
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        - Src:             'src/atom.cpp:1402,21'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/atom.cpp:1403,24'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/atom.cpp:1404,30'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/atom.cpp:1404,42'
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        - Src:             'src/atom.cpp:1404,41'
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        - Src:             'src/atom.cpp:1404,21'
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        - Src:             'src/atom.cpp:1405,27'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/atom.cpp:1405,23'
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          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
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          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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        - Src:             'src/atom.cpp:293,17'
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          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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      functionsReached:
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          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
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          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
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          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
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          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/atom.cpp:282,65'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/atom.cpp:282,94'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/atom.cpp:281,51'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
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          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/atom.cpp:252,55'
          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
        - Src:             'src/atom.cpp:256,32'
          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:253,46'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/atom.cpp:251,36'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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        - _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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        - Src:             'src/atom.cpp:239,60'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/atom.cpp:239,41'
          Dst:             _ZN9OpenBabel6OBAtom11IsConnectedEPS0_
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          Dst:             _ZN9OpenBabel6OBAtom8NextBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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      functionDepth:   0
      returnType:      bool
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      EdgeCount:       17
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      functionsReached:
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        - _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/atom.cpp:207,17'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/atom.cpp:207,47'
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      functionsReached:
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      Callsites:
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      functionsReached:
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      BranchProfiles:  []
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      BranchProfiles:  []
      Callsites:
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      functionsReached:
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      BranchProfiles:
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          Branch Sides:    []
      Callsites:
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      functionLinenumber: 174
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      returnType:      'N/A'
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      argTypes:
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    - functionName:    _ZNK9OpenBabel6OBBond12GetBeginAtomEv
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      linkageType:     InternalLinkage
      functionLinenumber: 170
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      functionsReached:
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        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom6GetHybEv
        - _ZNK9OpenBabel6OBBond10GetEndAtomEv
        - _ZNK9OpenBabel6OBBond10IsAromaticEv
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      functionUses:    0
      BranchProfiles:
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          Branch Sides:    []
      Callsites:
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          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:     externalLinkage
      functionLinenumber: 467
      functionLinenumberEnd: 476
      functionDepth:   0
      returnType:      bool
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      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         6
      ICount:          25
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
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        - _ZN9OpenBabel5OBMol20HasAromaticPerceivedEv
        - _ZN9OpenBabel6OBBond9GetParentEv
        - _ZNK9OpenBabel6OBBond7HasFlagEi
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      functionUses:    90
      BranchProfiles:  []
      Callsites:
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          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:     externalLinkage
      functionLinenumber: 551
      functionLinenumberEnd: 558
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         9
      ICount:          32
      EdgeCount:       11
      CyclomaticComplexity: 4
      functionsReached:
        - _ZN9OpenBabel5OBMol21FindRingAtomsAndBondsEv
        - _ZN9OpenBabel5OBMol24HasClosureBondsPerceivedEv
        - _ZN9OpenBabel6OBBond9GetParentEv
        - _ZNK9OpenBabel6OBBond7HasFlagEi
      functionUses:    5
      BranchProfiles:  []
      Callsites:
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          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:     externalLinkage
      functionLinenumber: 519
      functionLinenumberEnd: 528
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         6
      ICount:          24
      EdgeCount:       7
      CyclomaticComplexity: 3
      functionsReached:
        - _ZN9OpenBabel5OBMol21FindRingAtomsAndBondsEv
        - _ZN9OpenBabel5OBMol29HasRingAtomsAndBondsPerceivedEv
        - _ZN9OpenBabel6OBBond9GetParentEv
        - _ZNK9OpenBabel6OBBond7HasFlagEi
      functionUses:    37
      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:     externalLinkage
      functionLinenumber: 482
      functionLinenumberEnd: 516
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      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:     externalLinkage
      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:     externalLinkage
      functionLinenumber: 455
      functionLinenumberEnd: 464
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
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      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:     externalLinkage
      functionLinenumber: 293
      functionLinenumberEnd: 324
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
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      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:     externalLinkage
      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:     externalLinkage
      functionLinenumber: 225
      functionLinenumberEnd: 256
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         32
      ICount:          136
      EdgeCount:       44
      CyclomaticComplexity: 14
      functionsReached:
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        - _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond10IsCarbonylEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
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      BranchProfiles:  []
      Callsites:
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        - 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
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        - _ZN9OpenBabel6OBAtom9BeginBondERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - _ZN9OpenBabel6OBBond10IsCarbonylEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom14GetTotalDegreeEv
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        - 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
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      functionLinenumberEnd: 189
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      ICount:          13
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      CyclomaticComplexity: 2
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel6OBBond9GetParentEv
        - Src:             'src/bond.cpp:189,17'
          Dst:             _ZN9OpenBabel5OBMol10IsPeriodicEv
    - functionName:    _ZNK9OpenBabel6OBBond16FindSmallestRingEv
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      linkageType:     externalLinkage
      functionLinenumber: 532
      functionLinenumberEnd: 548
      functionDepth:   0
      returnType:      'N/A'
      argCount:        1
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         20
      ICount:          102
      EdgeCount:       20
      CyclomaticComplexity: 2
      functionsReached:
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        - _ZN9OpenBabel6OBBond9GetParentEv
        - _ZN9OpenBabel6OBRing8IsMemberEPNS_6OBBondE
        - _ZNK9OpenBabel6OBRing4SizeEv
      functionUses:    2
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel6OBBond9GetParentEv
        - Src:             'src/bond.cpp:538,18'
          Dst:             _ZN9OpenBabel5OBMol7GetSSSREv
        - Src:             'src/bond.cpp:542,17'
          Dst:             _ZN9OpenBabel6OBRing8IsMemberEPNS_6OBBondE
        - Src:             'src/bond.cpp:542,50'
          Dst:             _ZNK9OpenBabel6OBRing4SizeEv
        - Src:             'src/bond.cpp:543,26'
          Dst:             _ZNK9OpenBabel6OBRing4SizeEv
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      argTypes:
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      argNames:
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      ICount:          102
      EdgeCount:       32
      CyclomaticComplexity: 11
      functionsReached:
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        - _ZNK9OpenBabel6OBAtom6GetHybEv
        - _ZNK9OpenBabel6OBBond16FindSmallestRingEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZNK9OpenBabel6OBBond16FindSmallestRingEv
        - Src:             'src/bond.cpp:169,17'
          Dst:             _ZNK9OpenBabel6OBRing4SizeEv
        - Src:             'src/bond.cpp:171,17'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/bond.cpp:171,40'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/bond.cpp:176,15'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/bond.cpp:176,38'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/bond.cpp:183,19'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
        - Src:             'src/bond.cpp:183,47'
          Dst:             _ZNK9OpenBabel6OBAtom12GetHvyDegreeEv
    - functionName:    _ZNK9OpenBabel6OBBond9GetLengthEv
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      linkageType:     externalLinkage
      functionLinenumber: 597
      functionLinenumberEnd: 616
      functionDepth:   0
      returnType:      double
      argCount:        1
      argTypes:
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      constantsTouched: []
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      BBCount:         8
      ICount:          66
      EdgeCount:       15
      CyclomaticComplexity: 9
      functionsReached:
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        - _ZN9OpenBabel6OBBase7GetDataEj
        - _ZN9OpenBabel6OBBond9GetParentEv
        - _ZN9OpenBabel7vector3D2Ev
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        - _ZNK9OpenBabel6OBAtom4GetXEv
        - _ZNK9OpenBabel6OBAtom4GetYEv
        - _ZNK9OpenBabel6OBAtom4GetZEv
        - _ZNK9OpenBabel6OBAtom9GetVectorEv
        - _ZNK9OpenBabel6OBBond10GetEndAtomEv
        - _ZNK9OpenBabel6OBBond10IsPeriodicEv
        - _ZNK9OpenBabel6OBBond12GetBeginAtomEv
        - _ZNK9OpenBabel7vector36lengthEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZNK9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/bond.cpp:601,11'
          Dst:             _ZNK9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/bond.cpp:603,10'
          Dst:             _ZNK9OpenBabel6OBBond10IsPeriodicEv
        - Src:             'src/bond.cpp:605,14'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/bond.cpp:605,14'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/bond.cpp:605,14'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/bond.cpp:605,14'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/bond.cpp:606,15'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/bond.cpp:606,15'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/bond.cpp:606,15'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/bond.cpp:606,15'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/bond.cpp:607,15'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/bond.cpp:607,15'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/bond.cpp:607,15'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/bond.cpp:607,15'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/bond.cpp:608,16'
          Dst:             sqrt
        - Src:             'src/bond.cpp:612,47'
          Dst:             _ZN9OpenBabel6OBBond9GetParentEv
        - Src:             'src/bond.cpp:613,45'
          Dst:             _ZN9OpenBabel6OBBase7GetDataEj
        - Src:             'src/bond.cpp:614,51'
          Dst:             _ZNK9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/bond.cpp:614,70'
          Dst:             _ZNK9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/bond.cpp:614,63'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/bond.cpp:614,22'
          Dst:             _ZN9OpenBabel10OBUnitCell21MinimumImageCartesianENS_7vector3E
        - Src:             'src/bond.cpp:614,84'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/bond.cpp:614,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/bond.cpp:614,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/bond.cpp:614,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      linkageType:     externalLinkage
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      functionLinenumberEnd: 154
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
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      constantsTouched: []
      argNames:
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        - ''
      BBCount:         3
      ICount:          19
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
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        - _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - _ZN9OpenBabel6OBBond9SetLengthEPNS_6OBAtomEd
        - _ZNK9OpenBabel6OBBond9GetLengthEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/bond.cpp:146,21'
          Dst:             _ZN9OpenBabel6OBBond12GetBeginAtomEv
        - Src:             'src/bond.cpp:147,21'
          Dst:             _ZN9OpenBabel6OBBond10GetEndAtomEv
        - Src:             'src/bond.cpp:150,37'
          Dst:             _ZNK9OpenBabel6OBBond9GetLengthEv
        - Src:             'src/bond.cpp:152,5'
          Dst:             _ZN9OpenBabel6OBBond9SetLengthEPNS_6OBAtomEd
        - Src:             'src/bond.cpp:153,5'
          Dst:             _ZN9OpenBabel6OBBond9SetLengthEPNS_6OBAtomEd
    - functionName:    _ZN9OpenBabel6OBBond9SetLengthEPNS_6OBAtomEd
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      returnType:      void
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      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         50
      ICount:          267
      EdgeCount:       84
      CyclomaticComplexity: 36
      functionsReached:
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        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel5OBMol12FindChildrenERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - _ZN9OpenBabel6OBAtom9GetParentEv
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - _ZN9OpenBabel7vector316randomUnitVectorEv
        - _ZN9OpenBabel7vector39normalizeEv
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel7vector3aSERKS0_
        - _ZN9OpenBabel7vector3mLERKd
        - _ZN9OpenBabel7vector3pLERKS0_
        - _ZN9OpenBabelmiERKNS_7vector3ES2_
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel7vector38length_2Ev
      functionUses:    4
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel6OBAtom9GetParentEv
        - Src:             'src/bond.cpp:105,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/bond.cpp:105,16'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/bond.cpp:105,19'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/bond.cpp:105,22'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/bond.cpp:105,25'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/bond.cpp:108,16'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/bond.cpp:111,20'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/bond.cpp:112,13'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/bond.cpp:112,32'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/bond.cpp:117,10'
          Dst:             _ZN9OpenBabel5OBMol12FindChildrenERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - Src:             'src/bond.cpp:120,10'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/bond.cpp:120,29'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/bond.cpp:120,8'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/bond.cpp:121,17'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/bond.cpp:121,8'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/bond.cpp:122,13'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/bond.cpp:122,8'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/bond.cpp:122,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/bond.cpp:124,23'
          Dst:             _ZNK9OpenBabel7vector38length_2Ev
        - Src:             'src/bond.cpp:124,9'
          Dst:             _ZN9OpenBabel10IsNearZeroERKdd
        - Src:             'src/bond.cpp:125,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/bond.cpp:127,10'
          Dst:             _ZN9OpenBabel7vector316randomUnitVectorEv
        - Src:             'src/bond.cpp:129,10'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/bond.cpp:132,8'
          Dst:             _ZN9OpenBabel7vector3mLERKd
        - Src:             'src/bond.cpp:133,8'
          Dst:             _ZN9OpenBabel7vector3pLERKS0_
        - Src:             'src/bond.cpp:134,13'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/bond.cpp:134,8'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/bond.cpp:134,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/bond.cpp:138,19'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/bond.cpp:138,41'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/bond.cpp:138,12'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/bond.cpp:139,12'
          Dst:             _ZN9OpenBabel7vector3pLERKS0_
        - Src:             'src/bond.cpp:140,14'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/bond.cpp:140,36'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/bond.cpp:142,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/bond.cpp:142,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/bond.cpp:142,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/bond.cpp:142,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/bond.cpp:142,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/bond.cpp:142,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/bond.cpp:142,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/bond.cpp:142,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/bond.cpp:142,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/bond.cpp:142,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel6OBBond12SetBondOrderEi
      functionSourceFile: '/src/openbabel/src/bond.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 96
      functionLinenumberEnd: 98
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
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      constantsTouched: []
      argNames:
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        - ''
      BBCount:         1
      ICount:          7
      EdgeCount:       1
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    23
      BranchProfiles:  []
      Callsites:       []
    - functionName:    _ZN9OpenBabel6OBBond3SetEiPNS_6OBAtomES2_ii
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      linkageType:     externalLinkage
      functionLinenumber: 87
      functionLinenumberEnd: 93
      functionDepth:   0
      returnType:      void
      argCount:        6
      argTypes:
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        - int
        - 'N/A'
        - 'N/A'
        - int
        - int
      constantsTouched: []
      argNames:
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        - ''
        - ''
        - ''
        - ''
        - ''
      BBCount:         3
      ICount:          16
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
        - _ZN9OpenBabel6OBBond12SetBondOrderEi
        - _ZN9OpenBabel6OBBond6SetEndEPNS_6OBAtomE
        - _ZN9OpenBabel6OBBond6SetIdxEi
        - _ZN9OpenBabel6OBBond7SetFlagEi
        - _ZN9OpenBabel6OBBond8SetBeginEPNS_6OBAtomE
      functionUses:    2
      BranchProfiles:  []
      Callsites:
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        - _ZN9OpenBabel8OBBitVecD2Ev
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        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - _ZNK9OpenBabel6OBAtom6GetHybEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel6OBAtom8IsInRingEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
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        - acos
      functionUses:    5
      BranchProfiles:  []
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        - Src:             'src/builder.cpp:789,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:798,23'
          Dst:             _ZN9OpenBabel9OBBuilder16GetNewBondVectorEPNS_6OBAtomE
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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        - Src:             'src/builder.cpp:805,30'
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        - Src:             'src/builder.cpp:805,47'
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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        - Src:             'src/builder.cpp:807,34'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:809,35'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:809,52'
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        - Src:             'src/builder.cpp:811,21'
          Dst:             _ZN9OpenBabel7vector316randomUnitVectorEv
        - Src:             'src/builder.cpp:0,0'
          Dst:             _ZN9OpenBabel3dotERKNS_7vector3ES2_
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        - Src:             'src/builder.cpp:823,25'
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          Dst:             _ZN9OpenBabel11vectorAngleERKNS_7vector3ES2_
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        - Src:             'src/builder.cpp:823,5'
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        - Src:             'src/builder.cpp:824,30'
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        - Src:             'src/builder.cpp:824,42'
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        - Src:             'src/builder.cpp:824,15'
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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:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/builder.cpp:826,60'
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          Dst:             _ZN9OpenBabel5crossERKNS_7vector3ES2_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:826,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:826,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:826,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:831,11'
          Dst:             _ZN9OpenBabel9matrix3x311SetupRotMatEddd
        - Src:             'src/builder.cpp:832,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:840,15'
          Dst:             _ZN9OpenBabel9OBBuilder16GetNewBondVectorEPNS_6OBAtomE
        - Src:             'src/builder.cpp:833,20'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:834,30'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:834,42'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:834,26'
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          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:836,25'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:837,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:837,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:832,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:840,13'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:851,11'
          Dst:             _ZN9OpenBabel9matrix3x311SetupRotMatEddd
        - Src:             'src/builder.cpp:852,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:860,15'
          Dst:             _ZN9OpenBabel9OBBuilder16GetNewBondVectorEPNS_6OBAtomE
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:854,30'
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        - Src:             'src/builder.cpp:854,42'
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        - Src:             'src/builder.cpp:857,7'
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        - Src:             'src/builder.cpp:852,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
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        - Src:             'src/builder.cpp:864,9'
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        - Src:             'src/builder.cpp:864,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:864,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:863,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:863,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:864,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:864,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:866,37'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/builder.cpp:866,49'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/builder.cpp:866,22'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:866,76'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/builder.cpp:866,89'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/builder.cpp:866,60'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:866,16'
          Dst:             _ZN9OpenBabel5crossERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:866,100'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/builder.cpp:866,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:866,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:866,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:866,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:866,16'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:871,11'
          Dst:             _ZN9OpenBabel9matrix3x311SetupRotMatEddd
        - Src:             'src/builder.cpp:872,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:884,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:873,20'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:874,30'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:874,42'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:874,26'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/builder.cpp:875,16'
          Dst:             _ZN9OpenBabel7vector3mLERKNS_9matrix3x3E
        - Src:             'src/builder.cpp:876,13'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:876,25'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:877,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:877,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:872,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:896,5'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/builder.cpp:885,20'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:887,30'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:887,42'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:887,26'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/builder.cpp:888,16'
          Dst:             _ZN9OpenBabel7vector3pLERKS0_
        - Src:             'src/builder.cpp:889,13'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:889,25'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:890,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:890,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:884,39'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:896,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/builder.cpp:896,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/builder.cpp:896,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:896,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/builder.cpp:901,5'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - 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:902,34'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:902,20'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:901,5'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/builder.cpp:901,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:910,24'
          Dst:             _ZN9OpenBabel5OBMol7NewBondEv
        - Src:             'src/builder.cpp:911,11'
          Dst:             _ZN9OpenBabel6OBBond8SetBeginEPNS_6OBAtomE
        - Src:             'src/builder.cpp:912,11'
          Dst:             _ZN9OpenBabel6OBBond6SetEndEPNS_6OBAtomE
        - Src:             'src/builder.cpp:913,11'
          Dst:             _ZN9OpenBabel6OBBond12SetBondOrderEi
        - Src:             'src/builder.cpp:914,8'
          Dst:             _ZN9OpenBabel6OBAtom7AddBondEPNS_6OBBondE
        - Src:             'src/builder.cpp:915,8'
          Dst:             _ZN9OpenBabel6OBAtom7AddBondEPNS_6OBBondE
        - Src:             'src/builder.cpp:923,30'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/builder.cpp:923,50'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/builder.cpp:929,30'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/builder.cpp:929,50'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/builder.cpp:931,11'
          Dst:             _ZN9OpenBabel5OBMol10SetTorsionEPNS_6OBAtomES2_S2_S2_d
        - Src:             'src/builder.cpp:935,45'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/builder.cpp:935,62'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/builder.cpp:936,45'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/builder.cpp:936,62'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/builder.cpp:0,0'
          Dst:             _ZN9OpenBabel5OBMol10SetTorsionEPNS_6OBAtomES2_S2_S2_d
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:941,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel9OBBuilder11GetFragmentEPNS_6OBAtomE
      functionSourceFile: '/src/openbabel/src/builder.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1053
      functionLinenumberEnd: 1060
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         6
      ICount:          27
      EdgeCount:       9
      CyclomaticComplexity: 5
      functionsReached:
        - _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - _ZN9OpenBabel8OBBitVecC2Ev
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZN9OpenBabel9OBBuilder7AddNbrsERNS_8OBBitVecEPNS_6OBAtomE
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
      functionUses:    5
      BranchProfiles:  []
      Callsites:
        - Src:             'src/builder.cpp:1054,14'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/builder.cpp:1056,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1056,14'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/builder.cpp:1057,5'
          Dst:             _ZN9OpenBabel9OBBuilder7AddNbrsERNS_8OBBitVecEPNS_6OBAtomE
        - Src:             'src/builder.cpp:1060,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel9OBBuilder16GetNewBondVectorEPNS_6OBAtomE
      functionSourceFile: '/src/openbabel/src/builder.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 234
      functionLinenumberEnd: 235
      functionDepth:   0
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      argCount:        2
      argTypes:
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      constantsTouched: []
      argNames:
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        - ''
      BBCount:         3
      ICount:          12
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
        - _ZN9OpenBabel9OBBuilder16GetNewBondVectorEPNS_6OBAtomEd
      functionUses:    3
      BranchProfiles:  []
      Callsites:
        - Src:             'src/builder.cpp:235,12'
          Dst:             _ZN9OpenBabel9OBBuilder16GetNewBondVectorEPNS_6OBAtomEd
    - functionName:    _ZN9OpenBabel9OBBuilder16GetNewBondVectorEPNS_6OBAtomEd
      functionSourceFile: '/src/openbabel/src/builder.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 239
      functionLinenumberEnd: 746
      functionDepth:   0
      returnType:      void
      argCount:        3
      argTypes:
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        - 'N/A'
        - double
      constantsTouched: []
      argNames:
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        - ''
        - ''
      BBCount:         777
      ICount:          3479
      EdgeCount:       1353
      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_
        - _ZN9OpenBabel6OBAtom9GetParentEv
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _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
        - _ZNK9OpenBabel7vector3eqERKS0_
        - acos
      functionUses:    6
      BranchProfiles:  []
      Callsites:
        - Src:             'src/builder.cpp:240,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:240,20'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:240,27'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:240,34'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:240,41'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:240,48'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:240,52'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:240,56'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:240,60'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:242,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:243,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:244,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:245,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:246,11'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:249,14'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/builder.cpp:251,36'
          Dst:             _ZN9OpenBabel6OBAtom9GetParentEv
        - Src:             'src/builder.cpp:251,50'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/builder.cpp:261,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/builder.cpp:262,25'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:262,42'
          Dst:             _ZN9OpenBabelmlERKNS_7vector3ERKd
        - Src:             'src/builder.cpp:262,37'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:262,17'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:262,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:262,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:263,16'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/builder.cpp:262,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:289,17'
          Dst:             _ZNK9OpenBabel6OBAtom17GetExplicitDegreeEv
        - Src:             'src/builder.cpp:290,37'
          Dst:             _ZN9OpenBabel6OBAtom16IsCarboxylOxygenEv
        - Src:             'src/builder.cpp:292,9'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/builder.cpp:292,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/builder.cpp:292,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/builder.cpp:292,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:308,23'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/builder.cpp:292,9'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/builder.cpp:293,25'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:293,44'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:293,37'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:293,17'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:293,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:295,20'
          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
        - Src:             'src/builder.cpp:298,11'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/builder.cpp:298,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/builder.cpp:298,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/builder.cpp:298,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:298,11'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/builder.cpp:300,28'
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        - Src:             'src/builder.cpp:704,27'
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          Dst:             _ZN9OpenBabel6OBAtom12BeginNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
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          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
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          Dst:             _ZNK9OpenBabel7vector3eqERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:717,70'
          Dst:             _ZN9OpenBabel6OBAtom11NextNbrAtomERNSt3__111__wrap_iterIPPNS_6OBBondEEE
        - Src:             'src/builder.cpp:727,15'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/builder.cpp:728,15'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
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          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
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        - Src:             'src/builder.cpp:729,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:730,17'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/builder.cpp:731,17'
          Dst:             _ZN9OpenBabel7vector3mLERKd
        - Src:             'src/builder.cpp:732,26'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:732,17'
          Dst:             _ZN9OpenBabel7vector3pLERKS0_
        - Src:             'src/builder.cpp:733,16'
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        - Src:             'src/builder.cpp:734,7'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
        - Src:             'src/builder.cpp:729,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:734,7'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
        - Src:             'src/builder.cpp:737,15'
          Dst:             _ZN9OpenBabel7vector316randomUnitVectorEv
        - Src:             'src/builder.cpp:738,15'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/builder.cpp:739,15'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/builder.cpp:740,15'
          Dst:             _ZN9OpenBabel7vector3mLERKd
        - Src:             'src/builder.cpp:741,24'
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        - Src:             'src/builder.cpp:746,3'
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        - Src:             'src/builder.cpp:746,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:746,3'
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        - Src:             'src/builder.cpp:746,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:746,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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        - Src:             'src/builder.cpp:746,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:746,3'
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        - Src:             'src/builder.cpp:746,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:746,3'
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        - Src:             'src/builder.cpp:746,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:746,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:746,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:746,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:746,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:746,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      functionLinenumberEnd: 1050
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      argCount:        2
      argTypes:
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      constantsTouched: []
      argNames:
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      BBCount:         12
      ICount:          66
      EdgeCount:       15
      CyclomaticComplexity: 5
      functionsReached:
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        - _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - _ZN9OpenBabel9OBBuilder7AddNbrsERNS_8OBBitVecEPNS_6OBAtomE
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
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        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
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        - Src:             'src/builder.cpp:1044,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/builder.cpp:1044,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/builder.cpp:1044,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:1044,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
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        - Src:             'src/builder.cpp:1047,9'
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        - Src:             'src/builder.cpp:1044,5'
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      ICount:          537
      EdgeCount:       216
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        - _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
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        - _ZN9OpenBabel5OBMolD2Ev
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        - _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
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        - _ZN9OpenBabel7vector3C2ERKS0_
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        - _ZN9OpenBabel9matrix3x3C2Ev
        - _ZN9OpenBabel9matrix3x3D2Ev
        - _ZN9OpenBabelmiERKNS_7vector3ES2_
        - _ZN9OpenBabelplERKNS_7vector3ES2_
        - _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
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        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol7GetBondEii
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
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      BranchProfiles:  []
      Callsites:
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        - Src:             'src/builder.cpp:1579,5'
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        - Src:             'src/builder.cpp:1579,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/builder.cpp:1579,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/builder.cpp:1579,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:1585,9'
          Dst:             _ZN9OpenBabel5OBMol12FindChildrenERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - Src:             'src/builder.cpp:1579,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/builder.cpp:1580,27'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1579,5'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/builder.cpp:1579,5'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:1595,21'
          Dst:             _ZN9OpenBabel5OBMolC2ERKS0_
        - Src:             'src/builder.cpp:1596,32'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/builder.cpp:1596,13'
          Dst:             _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
        - Src:             'src/builder.cpp:1597,32'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/builder.cpp:1597,13'
          Dst:             _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
        - Src:             'src/builder.cpp:1598,45'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1598,25'
          Dst:             _ZN9OpenBabel9OBBuilder11GetFragmentEPNS_6OBAtomE
        - Src:             'src/builder.cpp:1601,23'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1601,20'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/builder.cpp:1602,43'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:1607,32'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1603,20'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:1604,17'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1604,47'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1604,59'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1604,71'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1604,29'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:1604,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1604,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1602,43'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:1607,50'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1607,26'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1608,32'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1608,50'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1608,26'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1609,11'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/builder.cpp:1610,11'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/builder.cpp:1611,26'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1613,15'
          Dst:             _ZN9OpenBabel9matrix3x3C2Ev
        - Src:             'src/builder.cpp:1614,9'
          Dst:             _ZN9OpenBabel9matrix3x319RotAboutAxisByAngleERKNS_7vector3Ed
        - Src:             'src/builder.cpp:1615,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:1616,43'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:1624,43'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:1617,20'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:1618,26'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1618,38'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1618,16'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1619,16'
          Dst:             _ZN9OpenBabel7vector3mLERKNS_9matrix3x3E
        - Src:             'src/builder.cpp:1620,17'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1620,29'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:1616,43'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/builder.cpp:1627,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1627,3'
          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
        - Src:             'src/builder.cpp:1627,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1627,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1627,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1627,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1627,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:1627,3'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
        - Src:             'src/builder.cpp:1625,20'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:1626,13'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1626,43'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1626,55'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1626,67'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1626,25'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:1626,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
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          Dst:             _ZN9OpenBabel6OBAtomD2Ev
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        - Src:             'src/builder.cpp:1491,15'
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        - Src:             'src/builder.cpp:1494,3'
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        - Src:             'src/builder.cpp:1494,3'
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        - Src:             'src/builder.cpp:1494,3'
          Dst:             _ZN9OpenBabel6OBAtomD2Ev
        - Src:             'src/builder.cpp:1494,3'
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        - Src:             'src/builder.cpp:1494,3'
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        - Src:             'src/builder.cpp:1494,3'
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        - Src:             'src/builder.cpp:1494,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel9OBBuilder18CorrectStereoAtomsERNS_5OBMolEb
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      functionLinenumberEnd: 1739
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      returnType:      bool
      argCount:        2
      argTypes:
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        - bool
      constantsTouched: []
      argNames:
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        - ''
      BBCount:         203
      ICount:          972
      EdgeCount:       380
      CyclomaticComplexity: 179
      functionsReached:
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        - _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:
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          Dst:             _ZN9OpenBabel6OBBase10GetAllDataEj
        - Src:             'src/builder.cpp:1649,16'
          Dst:             _ZN9OpenBabel17TetrahedralFrom3DEPNS_5OBMolERKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEEb
        - Src:             'src/builder.cpp:1640,35'
          Dst:             __dynamic_cast
        - Src:             'src/builder.cpp:1641,17'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/builder.cpp:1641,13'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1643,25'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/builder.cpp:1643,11'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1644,29'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/builder.cpp:1661,54'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/builder.cpp:1663,20'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/builder.cpp:1665,7'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/builder.cpp:1665,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:1665,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/builder.cpp:1666,16'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/builder.cpp:1669,47'
          Dst:             _ZN9OpenBabel9OBBuilder11IsSpiroAtomEmRNS_5OBMolE
        - Src:             'src/builder.cpp:1670,39'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/builder.cpp:1670,90'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo6ConfigeqERKS1_
        - Src:             'src/builder.cpp:1670,28'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1670,28'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1679,5'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1679,5'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1684,24'
          Dst:             _ZN9OpenBabel9OBBuilder13FixRingStereoENSt3__16vectorINS1_4pairImbEENS1_9allocatorIS4_EEEERNS_5OBMolERNS2_ImNS5_ImEEEE
        - Src:             'src/builder.cpp:1693,20'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/builder.cpp:1702,76'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/builder.cpp:1702,29'
          Dst:             _ZN9OpenBabel12OBStereoUnitC2ENS_8OBStereo4TypeEmb
        - Src:             'src/builder.cpp:1702,11'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1702,11'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1703,27'
          Dst:             _ZN9OpenBabel17TetrahedralFrom3DEPNS_5OBMolERKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEEb
        - Src:             'src/builder.cpp:1709,54'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/builder.cpp:1710,22'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
        - Src:             'src/builder.cpp:1710,73'
          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo6ConfigneERKS1_
        - Src:             'src/builder.cpp:1710,11'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1714,22'
          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
        - Src:             'src/builder.cpp:1716,9'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/builder.cpp:1716,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:1716,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/builder.cpp:1710,11'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1717,19'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/builder.cpp:1718,31'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/builder.cpp:1718,51'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1720,33'
          Dst:             _ZN9OpenBabel9OBBuilder11IsSpiroAtomEmRNS_5OBMolE
        - Src:             'src/builder.cpp:1721,34'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1721,11'
          Dst:             _ZN9OpenBabel9OBBuilder9FlipSpiroERNS_5OBMolEi
        - Src:             'src/builder.cpp:1723,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1723,59'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1723,11'
          Dst:             _ZN9OpenBabel9OBBuilder4SwapERNS_5OBMolEiiii
        - Src:             'src/builder.cpp:1730,39'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1731,39'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/builder.cpp:1732,82'
          Dst:             _ZNK9OpenBabel6OBBond9GetLengthEv
        - Src:             'src/builder.cpp:1732,31'
          Dst:             _ZN9OpenBabel9OBBuilder16GetNewBondVectorEPNS_6OBAtomEd
        - Src:             'src/builder.cpp:1733,39'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1733,69'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1733,11'
          Dst:             _ZN9OpenBabel9OBBuilder14SwapWithVectorERNS_5OBMolEiiiRKNS_7vector3E
        - Src:             'src/builder.cpp:1734,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1734,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1736,5'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
        - Src:             'src/builder.cpp:1736,5'
          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
    - functionName:    _ZN9OpenBabel9OBBuilder4SwapERNS_5OBMolEiiii
      functionSourceFile: '/src/openbabel/src/builder.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 995
      functionLinenumberEnd: 1039
      functionDepth:   0
      returnType:      bool
      argCount:        5
      argTypes:
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        - int
        - int
        - int
        - int
      constantsTouched: []
      argNames:
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        - ''
        - ''
        - ''
        - ''
      BBCount:         63
      ICount:          267
      EdgeCount:       118
      CyclomaticComplexity: 57
      functionsReached:
        - _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel9OBBuilder7ConnectERNS_5OBMolEiiRNS_7vector3Ei
        - _ZN9OpenBabeldvERKNS_7vector3ERKd
        - _ZN9OpenBabelmiERKNS_7vector3ES2_
        - _ZN9OpenBabelmlERKdRKNS_7vector3E
        - _ZN9OpenBabelplERKNS_7vector3ES2_
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol7GetBondEii
        - _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - _ZNK9OpenBabel6OBBond8IsInRingEv
        - _ZNK9OpenBabel7vector36lengthEv
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/builder.cpp:996,21'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:997,21'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:998,21'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:999,21'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1005,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/builder.cpp:1006,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/builder.cpp:1013,16'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/builder.cpp:1013,37'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/builder.cpp:1017,29'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/builder.cpp:1018,29'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/builder.cpp:1021,9'
          Dst:             _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
        - Src:             'src/builder.cpp:1022,9'
          Dst:             _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
        - Src:             'src/builder.cpp:1025,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1025,41'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1025,36'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1026,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1026,41'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1026,36'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1029,23'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1029,43'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/builder.cpp:1029,67'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/builder.cpp:1029,60'
          Dst:             _ZN9OpenBabeldvERKNS_7vector3ERKd
        - Src:             'src/builder.cpp:1029,52'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/builder.cpp:1029,35'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1029,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1029,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1030,23'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1030,43'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/builder.cpp:1030,67'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/builder.cpp:1030,60'
          Dst:             _ZN9OpenBabeldvERKNS_7vector3ERKd
        - Src:             'src/builder.cpp:1030,52'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/builder.cpp:1030,35'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1030,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1030,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1033,10'
          Dst:             _ZN9OpenBabel9OBBuilder7ConnectERNS_5OBMolEiiRNS_7vector3Ei
        - Src:             'src/builder.cpp:1029,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1029,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1030,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1030,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1039,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1035,10'
          Dst:             _ZN9OpenBabel9OBBuilder7ConnectERNS_5OBMolEiiRNS_7vector3Ei
        - Src:             'src/builder.cpp:1039,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1039,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1039,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1039,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1039,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1039,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1039,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel9OBBuilder14SwapWithVectorERNS_5OBMolEiiiRKNS_7vector3E
      functionSourceFile: '/src/openbabel/src/builder.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 954
      functionLinenumberEnd: 992
      functionDepth:   0
      returnType:      bool
      argCount:        5
      argTypes:
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        - int
        - int
        - int
        - 'N/A'
      constantsTouched: []
      argNames:
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        - ''
        - ''
        - ''
        - ''
      BBCount:         50
      ICount:          225
      EdgeCount:       89
      CyclomaticComplexity: 41
      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:
        - Src:             'src/builder.cpp:955,21'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:956,21'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:957,21'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:963,25'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/builder.cpp:970,16'
          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
        - Src:             'src/builder.cpp:974,29'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/builder.cpp:977,9'
          Dst:             _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
        - Src:             'src/builder.cpp:980,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:980,41'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:980,36'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:981,41'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:981,36'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:984,23'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:984,43'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/builder.cpp:984,67'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/builder.cpp:984,60'
          Dst:             _ZN9OpenBabeldvERKNS_7vector3ERKd
        - Src:             'src/builder.cpp:984,52'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/builder.cpp:984,35'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:984,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:984,20'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:985,23'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:985,43'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/builder.cpp:985,67'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
        - Src:             'src/builder.cpp:985,60'
          Dst:             _ZN9OpenBabeldvERKNS_7vector3ERKd
        - Src:             'src/builder.cpp:985,52'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/builder.cpp:985,35'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:985,20'
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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          Dst:             _ZN9OpenBabel16OBCisTransStereo6ConfigD2Ev
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      ICount:          1851
      EdgeCount:       775
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        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
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        - _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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          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
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        - Src:             'src/builder.cpp:1089,9'
          Dst:             _ZNK9OpenBabel5OBMol12GetFirstAtomEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetHybEv
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          Dst:             _ZN9OpenBabel5OBMolC2ERKS0_
        - Src:             'src/builder.cpp:1095,17'
          Dst:             _ZNK9OpenBabel5OBMol12GetDimensionEv
        - Src:             'src/builder.cpp:1096,15'
          Dst:             _ZN9OpenBabel5OBMol12SetDimensionEt
        - Src:             'src/builder.cpp:1101,20'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/builder.cpp:1102,34'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEi
        - Src:             'src/builder.cpp:1102,15'
          Dst:             _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
        - Src:             'src/builder.cpp:1107,13'
          Dst:             _ZN9OpenBabel5OBMol25SetHybridizationPerceivedEb
        - Src:             'src/builder.cpp:1115,14'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/builder.cpp:1116,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/builder.cpp:1116,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:1116,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
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          Dst:             _ZN9OpenBabel8OBBitVecC2Ev
        - Src:             'src/builder.cpp:1117,34'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1117,19'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/builder.cpp:1122,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/builder.cpp:1122,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:1122,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/builder.cpp:1129,11'
          Dst:             _ZN9OpenBabel5OBMolC2Ev
        - Src:             'src/builder.cpp:1123,17'
          Dst:             _ZN9OpenBabel6OBBond7IsRotorEb
        - Src:             'src/builder.cpp:1124,39'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/builder.cpp:1124,24'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/builder.cpp:1130,9'
          Dst:             _ZN9OpenBabel5OBMol16CopySubstructureERS0_PNS_8OBBitVecES3_jPNSt3__16vectorIjNS4_9allocatorIjEEEES9_
        - Src:             'src/builder.cpp:1133,40'
          Dst:             _ZN9OpenBabel5OBMol8SeparateEi
        - Src:             'src/builder.cpp:1137,7'
          Dst:             _ZN9OpenBabel9OBBuilder13LoadFragmentsEv
        - Src:             'src/builder.cpp:1245,5'
          Dst:             _ZN9OpenBabel16OBMolAtomDFSIterC2ERNS_5OBMolEi
        - Src:             'src/builder.cpp:1141,42'
          Dst:             _ZN9OpenBabel12OBConversion11WriteStringEPNS_6OBBaseEb
        - Src:             'src/builder.cpp:1145,25'
          Dst:             _ZN9OpenBabel15OBSmartsPatternC2Ev
        - Src:             'src/builder.cpp:1146,17'
          Dst:             _ZN9OpenBabel15OBSmartsPattern4InitERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/builder.cpp:1147,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/builder.cpp:1148,23'
          Dst:             _ZN9OpenBabel15OBSmartsPattern5MatchERNS_5OBMolEb
        - Src:             'src/builder.cpp:1150,22'
          Dst:             _ZN9OpenBabel15OBSmartsPattern11GetUMapListEv
        - Src:             'src/builder.cpp:1155,25'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:1162,21'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/builder.cpp:1165,43'
          Dst:             _ZN9OpenBabel9OBBuilder16GetFragmentCoordENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/builder.cpp:1168,38'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1169,21'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:1174,35'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1176,37'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1177,39'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/builder.cpp:1179,27'
          Dst:             _ZN9OpenBabel5OBMol7AddBondERNS_6OBBondE
        - Src:             'src/builder.cpp:1185,7'
          Dst:             _ZN9OpenBabel15OBSmartsPatternD2Ev
        - Src:             'src/builder.cpp:1185,7'
          Dst:             _ZN9OpenBabel15OBSmartsPatternD2Ev
        - Src:             'src/builder.cpp:1185,7'
          Dst:             _ZN9OpenBabel15OBSmartsPatternD2Ev
        - Src:             'src/builder.cpp:1189,9'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/builder.cpp:1189,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:1189,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/builder.cpp:1190,18'
          Dst:             _ZNK9OpenBabel6OBAtom8IsInRingEv
        - Src:             'src/builder.cpp:1200,83'
          Dst:             _ZNK9OpenBabel15OBSmartsPattern8NumAtomsEv
        - Src:             'src/builder.cpp:1206,48'
          Dst:             _ZN9OpenBabel15OBSmartsPattern5MatchERNS_5OBMolEb
        - Src:             'src/builder.cpp:1207,23'
          Dst:             _ZN9OpenBabel15OBSmartsPattern5MatchERNS_5OBMolEb
        - Src:             'src/builder.cpp:1208,31'
          Dst:             _ZN9OpenBabel15OBSmartsPattern11GetUMapListEv
        - Src:             'src/builder.cpp:1213,27'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:1220,23'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/builder.cpp:1225,40'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1226,23'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:1230,37'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1232,39'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1233,41'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/builder.cpp:1235,29'
          Dst:             _ZN9OpenBabel5OBMol7AddBondERNS_6OBBondE
        - Src:             'src/builder.cpp:1245,5'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSItercvbEv
        - Src:             'src/builder.cpp:1245,5'
          Dst:             _ZN9OpenBabel16OBMolAtomDFSIterD2Ev
        - Src:             'src/builder.cpp:1246,26'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1246,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1246,17'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:1251,7'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterdeEv
        - Src:             'src/builder.cpp:1251,7'
          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
        - Src:             'src/builder.cpp:1251,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/builder.cpp:1251,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/builder.cpp:1251,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:1256,26'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1256,29'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1256,17'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:1251,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/builder.cpp:1252,33'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1252,19'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/builder.cpp:1251,7'
          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
        - Src:             'src/builder.cpp:1251,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
        - Src:             'src/builder.cpp:1258,34'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1258,44'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1258,47'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1258,76'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterdeEv
        - Src:             'src/builder.cpp:1258,61'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
        - Src:             'src/builder.cpp:1258,81'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/builder.cpp:1258,11'
          Dst:             _ZN9OpenBabel9OBBuilder7ConnectERNS_5OBMolEiii
        - Src:             'src/builder.cpp:1260,45'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1260,55'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1260,58'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1260,31'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/builder.cpp:1260,69'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/builder.cpp:1261,33'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1261,43'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1261,46'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1261,19'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEii
        - Src:             'src/builder.cpp:1261,57'
          Dst:             _ZN9OpenBabel6OBBond12SetBondOrderEi
        - Src:             'src/builder.cpp:1264,57'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1264,60'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1264,49'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1264,29'
          Dst:             _ZN9OpenBabel9OBBuilder11GetFragmentEPNS_6OBAtomE
        - Src:             'src/builder.cpp:1265,15'
          Dst:             _ZN9OpenBabel8OBBitVecoRERKS0_
        - Src:             'src/builder.cpp:1268,7'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:1268,7'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:1276,24'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1276,27'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/builder.cpp:1276,42'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/builder.cpp:1277,13'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1277,16'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/builder.cpp:1277,31'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/builder.cpp:1280,63'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1280,49'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1281,57'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1281,60'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1281,49'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1280,18'
          Dst:             _ZN9OpenBabel22GetCorrectedBondVectorEPNS_6OBAtomES1_i
        - Src:             'src/builder.cpp:1280,16'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1280,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1283,49'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1283,35'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1283,60'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1283,25'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1283,16'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1283,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1288,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:1289,22'
          Dst:             _ZN9OpenBabel7vector316randomUnitVectorEv
        - Src:             'src/builder.cpp:1290,27'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/builder.cpp:1290,21'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1290,16'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1290,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1290,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1291,28'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/builder.cpp:1291,21'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/builder.cpp:1291,16'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/builder.cpp:1291,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1291,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1292,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1290,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1291,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1292,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1294,22'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1294,25'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1294,13'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/builder.cpp:1297,38'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1297,41'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/builder.cpp:1297,30'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/builder.cpp:1298,13'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/builder.cpp:1302,24'
          Dst:             _ZNK9OpenBabel16OBMolAtomDFSIterptEv
        - Src:             'src/builder.cpp:1302,27'
          Dst:             _ZN9OpenBabel6OBAtom7GetBondEPS0_
        - Src:             'src/builder.cpp:1303,17'
          Dst:             _ZN9OpenBabel5OBMol7AddBondERNS_6OBBondE
        - Src:             'src/builder.cpp:1245,5'
          Dst:             _ZN9OpenBabel16OBMolAtomDFSIterppEv
        - Src:             'src/builder.cpp:1245,5'
          Dst:             _ZN9OpenBabel16OBMolAtomDFSIterD2Ev
        - Src:             'src/builder.cpp:1311,20'
          Dst:             _ZNK9OpenBabel5OBMol8NumBondsEv
        - Src:             'src/builder.cpp:1312,34'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEi
        - Src:             'src/builder.cpp:1312,15'
          Dst:             _ZN9OpenBabel5OBMol10DeleteBondEPNS_6OBBondEb
        - Src:             'src/builder.cpp:1315,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/builder.cpp:1315,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:1315,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/builder.cpp:1363,20'
          Dst:             _ZN9OpenBabel9OBBuilder18CorrectStereoBondsERNS_5OBMolE
        - Src:             'src/builder.cpp:1316,21'
          Dst:             _ZNK9OpenBabel6OBBond15GetBeginAtomIdxEv
        - Src:             'src/builder.cpp:1317,19'
          Dst:             _ZNK9OpenBabel6OBBond13GetEndAtomIdxEv
        - Src:             'src/builder.cpp:1318,44'
          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/builder.cpp:1318,63'
          Dst:             _ZNK9OpenBabel6OBBond8GetFlagsEv
        - Src:             'src/builder.cpp:1318,15'
          Dst:             _ZN9OpenBabel5OBMol7AddBondEiiiii
        - Src:             'src/builder.cpp:1365,26'
          Dst:             _ZN9OpenBabel9OBBuilder18CorrectStereoAtomsERNS_5OBMolEb
        - Src:             'src/builder.cpp:1374,9'
          Dst:             _ZN9OpenBabel5OBMolaSERKS0_
        - Src:             'src/builder.cpp:1375,9'
          Dst:             _ZN9OpenBabel5OBMol21SetChiralityPerceivedEb
        - Src:             'src/builder.cpp:1376,9'
          Dst:             _ZN9OpenBabel5OBMol12SetDimensionEt
        - Src:             'src/builder.cpp:1379,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/builder.cpp:1379,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/builder.cpp:1379,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/builder.cpp:1380,22'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/builder.cpp:1380,19'
          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
        - Src:             'src/builder.cpp:1381,18'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/builder.cpp:1381,10'
          Dst:             _ZN9OpenBabel5IsNanERKd
        - Src:             'src/builder.cpp:1381,34'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/builder.cpp:1381,26'
          Dst:             _ZN9OpenBabel5IsNanERKd
        - Src:             'src/builder.cpp:1381,50'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/builder.cpp:1381,42'
          Dst:             _ZN9OpenBabel5IsNanERKd
        - Src:             'src/builder.cpp:1385,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1385,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1385,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1387,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel12OBConversionD2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel12OBConversionD2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/builder.cpp:1390,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
    - functionName:    _ZN9OpenBabel9OBBuilder13LoadFragmentsEv
      functionSourceFile: '/src/openbabel/src/builder.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 98
      functionLinenumberEnd: 162
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         95
      ICount:          419
      EdgeCount:       168
      CyclomaticComplexity: 75
      functionsReached:
        - _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - _ZN9OpenBabel15OBSmartsPattern4InitERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - _ZN9OpenBabel15OBSmartsPatternC2Ev
        - _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel8OBLocale13RestoreLocaleEv
        - _ZN9OpenBabel8OBLocale9SetLocaleEv
        - _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - _ZN9OpenBabel9OBBuilder15AddRingFragmentEPNS_15OBSmartsPatternERKNSt3__16vectorINS_7vector3ENS3_9allocatorIS5_EEEE
        - atof
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/builder.cpp:101,9'
          Dst:             _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - Src:             'src/builder.cpp:102,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/builder.cpp:108,14'
          Dst:             _ZN9OpenBabel8OBLocale9SetLocaleEv
        - Src:             'src/builder.cpp:117,9'
          Dst:             _ZN9OpenBabel12OpenDatafileERNSt3__114basic_ifstreamIcNS0_11char_traitsIcEEEERKNS0_12basic_stringIcS3_NS0_9allocatorIcEEEESB_
        - Src:             'src/builder.cpp:118,18'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/builder.cpp:130,7'
          Dst:             _ZN9OpenBabel8tokenizeERNSt3__16vectorINS0_12basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEENS5_IS7_EEEEPKcSC_
        - Src:             'src/builder.cpp:134,11'
          Dst:             _ZN9OpenBabel9OBBuilder15AddRingFragmentEPNS_15OBSmartsPatternERKNSt3__16vectorINS_7vector3ENS3_9allocatorIS5_EEEE
        - Src:             'src/builder.cpp:137,18'
          Dst:             _ZN9OpenBabel15OBSmartsPatternC2Ev
        - Src:             'src/builder.cpp:138,18'
          Dst:             _ZN9OpenBabel15OBSmartsPattern4InitERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/builder.cpp:141,22'
          Dst:             _ZN9OpenBabel16OBMessageHandler10ThrowErrorERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEES9_NS_14obMessageLevelENS_14errorQualifierE
        - Src:             'src/builder.cpp:144,23'
          Dst:             atof
        - Src:             'src/builder.cpp:144,44'
          Dst:             atof
        - Src:             'src/builder.cpp:144,65'
          Dst:             atof
        - Src:             'src/builder.cpp:144,17'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/builder.cpp:146,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:146,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/builder.cpp:148,5'
          Dst:             _ZN9OpenBabel9OBBuilder15AddRingFragmentEPNS_15OBSmartsPatternERKNSt3__16vectorINS_7vector3ENS3_9allocatorIS5_EEEE
        - Src:             'src/builder.cpp:151,14'
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          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl8FullCodeD2Ev
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          Dst:             _ZN9OpenBabel19CanonicalLabelsImpl8FullCodeD2Ev
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
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          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
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          Dst:             _ZN9OpenBabel15isFerroceneBondEPNS_6OBBondE
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          Dst:             _ZN9OpenBabel21OBAtomAtomIterAdaptorppEv
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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          Dst:             _ZNK9OpenBabel6OBAtom8GetIndexEv
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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          Dst:             _ZN9OpenBabel4impl11AtomGetNbrsEPKNS_6OBAtomE
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE5beginEv
        - Src:             'src/canon.cpp:190,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENS_21OBAtomAtomIterAdaptorEE3endEv
        - Src:             'src/canon.cpp:190,7'
          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptordeEv
        - Src:             'src/canon.cpp:191,30'
          Dst:             _ZNK9OpenBabel5OBMol7GetBondEPNS_6OBAtomES2_
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          Dst:             _ZNK9OpenBabel21OBAtomAtomIterAdaptorneERKS0_
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          Dst:             _ZN9OpenBabel19OBTetrahedralStereo6ConfigD2Ev
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
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          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo9GetConfigENS_8OBStereo7WindingENS1_4ViewE
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          Dst:             _ZNK9OpenBabel19OBTetrahedralStereo7IsValidEv
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          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
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          Dst:             _ZN9OpenBabel13isTetrahedralEPNS_6OBAtomERKNSt3__16vectorINS_12OBStereoUnitENS2_9allocatorIS4_EEEE
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          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
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          Dst:             _ZNK9OpenBabel5OBMol11GetAtomByIdEm
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          Dst:             _ZN9OpenBabel5OBMol21HasChiralityPerceivedEv
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        - ''
        - ''
        - ''
        - ''
      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:     externalLinkage
      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:     externalLinkage
      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:     externalLinkage
      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:     externalLinkage
      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:     externalLinkage
      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:     externalLinkage
      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:     externalLinkage
      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:     externalLinkage
      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:     externalLinkage
      functionLinenumber: 1071
      functionLinenumberEnd: 1089
      functionDepth:   0
      returnType:      bool
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      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
      functionSourceFile: '/src/openbabel/src/chains.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 958
      functionLinenumberEnd: 1064
      functionDepth:   0
      returnType:      bool
      argCount:        3
      argTypes:
        - 'N/A'
        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      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:     externalLinkage
      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:     externalLinkage
      functionLinenumber: 840
      functionLinenumberEnd: 855
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      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:     externalLinkage
      functionLinenumber: 858
      functionLinenumberEnd: 951
      functionDepth:   0
      returnType:      void
      argCount:        3
      argTypes:
        - 'N/A'
        - 'N/A'
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
      BBCount:         105
      ICount:          539
      EdgeCount:       199
      CyclomaticComplexity: 96
      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:     externalLinkage
      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:     externalLinkage
      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'
          Dst:             _ZN9OpenBabelmlERKNS_7vector3ERKd
        - Src:             'src/chargemodel.cpp:56,22'
          Dst:             _ZN9OpenBabel7vector3pLERKS0_
        - Src:             'src/chargemodel.cpp:56,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/chargemodel.cpp:61,25'
          Dst:             _ZN9OpenBabelmlERKNS_7vector3ERKd
        - Src:             'src/chargemodel.cpp:62,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/chargemodel.cpp:62,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel13OBChargeModel17FillChargeVectorsERNS_5OBMolE
      functionSourceFile: '/src/openbabel/src/chargemodel.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 35
      functionLinenumberEnd: 48
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         9
      ICount:          58
      EdgeCount:       11
      CyclomaticComplexity: 4
      functionsReached:
        - _ZN9OpenBabel5OBMol8NextAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel5OBMol9BeginAtomERNSt3__111__wrap_iterIPPNS_6OBAtomEEE
        - _ZN9OpenBabel6OBAtom16GetPartialChargeEv
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom15GetFormalChargeEv
      functionUses:    3
      BranchProfiles:  []
      Callsites:
        - Src:             'src/chargemodel.cpp:39,34'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/chargemodel.cpp:41,33'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/chargemodel.cpp:43,21'
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          Dst:             _ZN9OpenBabel12OBForceField11VectorCrossEPdS1_S1_
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          Dst:             _ZN9OpenBabel12OBForceField9VectorDotEPdS1_
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          Dst:             _ZN9OpenBabel12OBForceField9VectorDotEPdS1_
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      BranchProfiles:  []
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        - Src:             'src/forcefield.cpp:4186,5'
          Dst:             _ZN9OpenBabel12OBForceField14VectorSubtractEPdS1_S1_
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          Dst:             _ZN9OpenBabel12OBForceField14VectorSubtractEPdS1_S1_
        - Src:             'src/forcefield.cpp:4191,12'
          Dst:             _ZN9OpenBabel12OBForceField12VectorLengthEPd
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          Dst:             _ZN9OpenBabel12OBForceField12VectorLengthEPd
        - Src:             'src/forcefield.cpp:4193,12'
          Dst:             _ZN9OpenBabel12OBForceField12VectorLengthEPd
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          Dst:             _ZN9OpenBabel10IsNearZeroERKdd
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          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
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          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4198,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4199,7'
          Dst:             _ZN9OpenBabel12OBForceField11VectorClearEPd
        - Src:             'src/forcefield.cpp:4204,5'
          Dst:             _ZN9OpenBabel12OBForceField12VectorDivideEPddS1_
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          Dst:             _ZN9OpenBabel12OBForceField12VectorDivideEPddS1_
        - Src:             'src/forcefield.cpp:4206,5'
          Dst:             _ZN9OpenBabel12OBForceField12VectorDivideEPddS1_
        - Src:             'src/forcefield.cpp:4211,22'
          Dst:             _ZN9OpenBabel12OBForceField9VectorDotEPdS1_
        - Src:             'src/forcefield.cpp:4219,19'
          Dst:             acos
        - Src:             'src/forcefield.cpp:4222,22'
          Dst:             _ZN9OpenBabel12OBForceField9VectorDotEPdS1_
        - Src:             'src/forcefield.cpp:4230,19'
          Dst:             acos
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          Dst:             sin
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          Dst:             sin
        - Src:             'src/forcefield.cpp:4245,27'
          Dst:             cos
        - Src:             'src/forcefield.cpp:4246,27'
          Dst:             cos
        - Src:             'src/forcefield.cpp:4249,5'
          Dst:             _ZN9OpenBabel12OBForceField11VectorCrossEPdS1_S1_
        - Src:             'src/forcefield.cpp:4251,5'
          Dst:             _ZN9OpenBabel12OBForceField11VectorCrossEPdS1_S1_
        - Src:             'src/forcefield.cpp:4253,5'
          Dst:             _ZN9OpenBabel12OBForceField11VectorCrossEPdS1_S1_
        - Src:             'src/forcefield.cpp:4254,17'
          Dst:             _ZN9OpenBabel12OBForceField9VectorDotEPdS1_
        - Src:             'src/forcefield.cpp:4255,17'
          Dst:             _ZN9OpenBabel12OBForceField9VectorDotEPdS1_
        - Src:             'src/forcefield.cpp:4256,31'
          Dst:             atan2
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          Dst:             _ZN9OpenBabel12OBForceField14VectorMultiplyEPddS1_
        - Src:             'src/forcefield.cpp:4259,5'
          Dst:             _ZN9OpenBabel12OBForceField14VectorMultiplyEPddS1_
        - Src:             'src/forcefield.cpp:4261,5'
          Dst:             _ZN9OpenBabel12OBForceField14VectorMultiplyEPddS1_
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:3534,68'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZN9OpenBabel15OBFFConstraints11GetGradientEi
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:3534,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:3536,61'
          Dst:             _ZN9OpenBabel15OBFFConstraints11GetGradientEi
        - Src:             'src/forcefield.cpp:3536,46'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/forcefield.cpp:3536,19'
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:3536,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:3536,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:3536,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:3536,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:3538,20'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:3538,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:3542,38'
          Dst:             _ZNK9OpenBabel6OBAtom13GetAtomicMassEv
        - Src:             'src/forcefield.cpp:3542,25'
          Dst:             _ZN9OpenBabeldvERKNS_7vector3ERKd
        - Src:             'src/forcefield.cpp:3542,17'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:3542,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:3545,24'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:3545,75'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:3545,15'
          Dst:             _ZN9OpenBabel7vector34SetXEd
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          Dst:             _ZN9OpenBabel7vector31yEv
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          Dst:             _ZN9OpenBabel7vector31yEv
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          Dst:             _ZN9OpenBabel7vector34SetYEd
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          Dst:             _ZN9OpenBabel7vector31zEv
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          Dst:             _ZN9OpenBabel7vector31zEv
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          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
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          Dst:             _ZN9OpenBabel7vector31yEv
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          Dst:             _ZN9OpenBabel7vector31zEv
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel12OBForceField19NumericalDerivativeEPNS_6OBAtomEi
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        - Src:             'src/forcefield.cpp:3560,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:3560,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:3560,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:3563,38'
          Dst:             _ZNK9OpenBabel6OBAtom13GetAtomicMassEv
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          Dst:             _ZN9OpenBabeldvERKNS_7vector3ERKd
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:3566,51'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:3567,51'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefield.cpp:3572,9'
          Dst:             _ZN9OpenBabel12OBForceField17CorrectVelocitiesEv
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:3574,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:3574,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      ICount:          245
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        - _ZN9OpenBabel8OBRandom9NextFloatEv
        - _ZN9OpenBabel8OBRandomC2Eb
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        - _ZNK9OpenBabel6OBAtom13GetAtomicMassEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
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        - Src:             'src/forcefield.cpp:3420,15'
          Dst:             _ZN9OpenBabel8OBRandom8TimeSeedEv
        - Src:             'src/forcefield.cpp:3421,21'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:3428,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefield.cpp:3428,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefield.cpp:3428,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefield.cpp:3463,5'
          Dst:             _ZN9OpenBabel12OBForceField17CorrectVelocitiesEv
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:3429,25'
          Dst:             _ZN9OpenBabel15OBFFConstraints7IsFixedEi
        - Src:             'src/forcefield.cpp:3429,65'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:3429,97'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:3430,27'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:3434,39'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:3434,27'
          Dst:             _ZN9OpenBabel15OBFFConstraints8IsXFixedEi
        - Src:             'src/forcefield.cpp:3437,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
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          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3437,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3437,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
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          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
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          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3437,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
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          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3437,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3437,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3437,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3437,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3439,63'
          Dst:             _ZNK9OpenBabel6OBAtom13GetAtomicMassEv
        - Src:             'src/forcefield.cpp:3439,23'
          Dst:             sqrt
        - Src:             'src/forcefield.cpp:3443,39'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:3443,27'
          Dst:             _ZN9OpenBabel15OBFFConstraints8IsYFixedEi
        - Src:             'src/forcefield.cpp:3446,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3446,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3446,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3446,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3446,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3446,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3446,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3446,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3446,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3446,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3446,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3446,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3448,63'
          Dst:             _ZNK9OpenBabel6OBAtom13GetAtomicMassEv
        - Src:             'src/forcefield.cpp:3448,23'
          Dst:             sqrt
        - Src:             'src/forcefield.cpp:3452,39'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:3452,27'
          Dst:             _ZN9OpenBabel15OBFFConstraints8IsZFixedEi
        - Src:             'src/forcefield.cpp:3455,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3455,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3455,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3455,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3455,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3455,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3455,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:3455,35'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
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          Dst:             snprintf
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:3051,11'
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          Dst:             _ZN9OpenBabel15OBFFConstraints19GetConstraintEnergyEv
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      BranchProfiles:
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:479,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:479,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:480,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:480,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:482,17'
          Dst:             _ZN9OpenBabel12OBForceField22VectorLengthDerivativeERNS_7vector3ES2_
        - Src:             'src/forcefield.cpp:488,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:488,20'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:488,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:489,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:489,20'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:495,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:495,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:496,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:496,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:497,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:497,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:499,19'
          Dst:             _ZN9OpenBabel12OBForceField21VectorAngleDerivativeERNS_7vector3ES2_S2_
        - Src:             'src/forcefield.cpp:505,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:505,20'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:505,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:506,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:506,20'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:506,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:507,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:507,20'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:507,11'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:513,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:513,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:514,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:514,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:515,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:515,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:516,24'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:516,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:518,19'
          Dst:             _ZN9OpenBabel12OBForceField23VectorTorsionDerivativeERNS_7vector3ES2_S2_S2_
        - Src:             'src/forcefield.cpp:523,60'
          Dst:             cos
        - Src:             'src/forcefield.cpp:524,36'
          Dst:             sin
        - Src:             'src/forcefield.cpp:526,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:526,20'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:527,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:528,25'
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:529,25'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
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          Dst:             _ZN9OpenBabel7vector3aSERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:534,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:534,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:534,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:534,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:534,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:534,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:534,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:534,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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      functionLinenumber: 2158
      functionLinenumberEnd: 2238
      functionDepth:   0
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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
        - _ZN9OpenBabel13OBMolPairIterppEv
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        - _ZN9OpenBabel8OBBitVec5ClearEv
        - _ZN9OpenBabel8OBBitVec6ResizeEj
        - _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - _ZN9OpenBabel8OBBitVec9SetBitOffEj
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/forcefield.cpp:2160,15'
          Dst:             _ZN9OpenBabel8OBBitVec5ClearEv
        - Src:             'src/forcefield.cpp:2162,40'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:2164,15'
          Dst:             _ZN9OpenBabel8OBBitVec6ResizeEj
        - Src:             'src/forcefield.cpp:2165,15'
          Dst:             _ZN9OpenBabel8OBBitVec6ResizeEj
        - Src:             'src/forcefield.cpp:2173,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterC2ERNS_5OBMolE
        - Src:             'src/forcefield.cpp:2173,5'
          Dst:             _ZNK9OpenBabel13OBMolPairItercvbEv
        - Src:             'src/forcefield.cpp:2173,5'
          Dst:             _ZN9OpenBabel13OBMolPairIterD2Ev
        - Src:             'src/forcefield.cpp:2176,33'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefield.cpp:2176,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefield.cpp:2177,33'
          Dst:             _ZNK9OpenBabel13OBMolPairIterdeEv
        - Src:             'src/forcefield.cpp:2177,24'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/forcefield.cpp:2180,11'
          Dst:             _ZN9OpenBabel12OBForceField9HasGroupsEv
        - Src:             'src/forcefield.cpp:2183,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:2183,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefield.cpp:2184,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:2184,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefield.cpp:2191,51'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:2191,39'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefield.cpp:2192,52'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:2192,40'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/forcefield.cpp:2196,51'
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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:             _ZN9OpenBabel15OBFFConstraints7IsFixedEi
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2790,13'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZN9OpenBabel15OBFFConstraints11GetGradientEi
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2797,19'
          Dst:             _ZNK9OpenBabel7vector38length_2Ev
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          Dst:             _ZNK9OpenBabel7vector38length_2Ev
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          Dst:             _ZN9OpenBabel15OBFFConstraints8IsZFixedEi
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          Dst:             _ZN9OpenBabel7vector31zEv
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          Dst:             _ZN9OpenBabel12OBForceField20Newton2NumLineSearchEPd
        - Src:             'src/forcefield.cpp:2823,25'
          Dst:             _ZN9OpenBabel5OBMol14GetCoordinatesEv
        - Src:             'src/forcefield.cpp:2823,9'
          Dst:             _ZN9OpenBabel12OBForceField10LineSearchEPdS1_
        - Src:             'src/forcefield.cpp:2826,38'
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        - Src:             'src/forcefield.cpp:2838,11'
          Dst:             _ZN9OpenBabel6IsNearERKdS1_d
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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      argTypes:
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      ICount:          324
      EdgeCount:       95
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      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefield.cpp:2674,24'
          Dst:             _ZN9OpenBabel6OBAtomC2Ev
        - Src:             'src/forcefield.cpp:2675,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2675,20'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2675,27'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2675,33'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2681,11'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
        - Src:             'src/forcefield.cpp:2682,18'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2682,30'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2682,47'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2682,59'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2685,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2686,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2687,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2688,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2689,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2694,28'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2694,42'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2694,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefield.cpp:2695,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2696,16'
          Dst:             _ZN9OpenBabel12OBForceField18ValidateLineSearchEPNS_6OBAtomERNS_7vector3E
        - Src:             'src/forcefield.cpp:2696,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2696,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2697,31'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2697,42'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:2697,53'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2697,64'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:2697,75'
          Dst:             _ZNK9OpenBabel6OBAtom1zEv
        - Src:             'src/forcefield.cpp:2697,86'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefield.cpp:2697,15'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
        - Src:             'src/forcefield.cpp:2698,22'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2698,34'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2698,51'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2698,63'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2701,11'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2702,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2706,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2709,28'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2709,42'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2709,15'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefield.cpp:2710,16'
          Dst:             _ZN9OpenBabel3dotERKNS_7vector3ES2_
        - Src:             'src/forcefield.cpp:2711,16'
          Dst:             _ZN9OpenBabel3dotERKNS_7vector3ES2_
        - Src:             'src/forcefield.cpp:2713,29'
          Dst:             _ZN9OpenBabelmlERKdRKNS_7vector3E
        - Src:             'src/forcefield.cpp:2713,22'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/forcefield.cpp:2713,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2713,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2713,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2714,16'
          Dst:             _ZN9OpenBabel12OBForceField18ValidateLineSearchEPNS_6OBAtomERNS_7vector3E
        - Src:             'src/forcefield.cpp:2714,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2714,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2715,31'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2715,42'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:2715,53'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2715,64'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:2715,75'
          Dst:             _ZNK9OpenBabel6OBAtom1zEv
        - Src:             'src/forcefield.cpp:2715,86'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefield.cpp:2715,15'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
        - Src:             'src/forcefield.cpp:2716,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2717,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2718,22'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2718,34'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2718,51'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2718,63'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2721,11'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2722,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2713,9'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2725,13'
          Dst:             _ZN9OpenBabel6IsNearERKdS1_d
        - Src:             'src/forcefield.cpp:2727,13'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2736,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2736,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2736,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2736,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2736,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2736,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2736,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2736,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel12OBForceField18ValidateLineSearchEPNS_6OBAtomERNS_7vector3E
      functionSourceFile: '/src/openbabel/src/forcefield.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 2583
      functionLinenumberEnd: 2620
      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:2585,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2585,22'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2585,32'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2585,39'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2588,15'
          Dst:             _ZN9OpenBabel7vector39normalizeEv
        - Src:             'src/forcefield.cpp:2589,22'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:2589,14'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2591,18'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2591,30'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2591,47'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2591,59'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2594,23'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:2594,15'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2596,21'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:2596,44'
          Dst:             _ZN9OpenBabelmlERKNS_7vector3ERKd
        - Src:             'src/forcefield.cpp:2596,33'
          Dst:             _ZN9OpenBabelplERKNS_7vector3ES2_
        - Src:             'src/forcefield.cpp:2596,13'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2596,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2596,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2597,13'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/forcefield.cpp:2599,20'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2599,32'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2599,49'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2599,61'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2596,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2606,15'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/forcefield.cpp:2617,17'
          Dst:             _ZN9OpenBabel6OBAtom9GetVectorEv
        - Src:             'src/forcefield.cpp:2617,29'
          Dst:             _ZN9OpenBabelmiERKNS_7vector3ES2_
        - Src:             'src/forcefield.cpp:2617,9'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2617,5'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2618,11'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - Src:             'src/forcefield.cpp:2620,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2620,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2620,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2620,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2620,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2620,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2620,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel12OBForceField23ValidateSteepestDescentEi
      functionSourceFile: '/src/openbabel/src/forcefield.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 2630
      functionLinenumberEnd: 2670
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         41
      ICount:          205
      EdgeCount:       76
      CyclomaticComplexity: 37
      functionsReached:
        - _ZN9OpenBabel12OBForceField18ValidateLineSearchEPNS_6OBAtomERNS_7vector3E
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel6IsNearERKdS1_d
        - _ZN9OpenBabel6OBAtom9SetVectorEddd
        - _ZN9OpenBabel6OBAtomC2Ev
        - _ZN9OpenBabel7vector31xEv
        - _ZN9OpenBabel7vector31yEv
        - _ZN9OpenBabel7vector33SetEddd
        - _ZN9OpenBabel7vector3C2Eddd
        - _ZN9OpenBabel7vector3D2Ev
        - _ZN9OpenBabel7vector3aSERKS0_
        - _ZNK9OpenBabel6OBAtom1xEv
        - _ZNK9OpenBabel6OBAtom1yEv
        - snprintf
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefield.cpp:2631,24'
          Dst:             _ZN9OpenBabel6OBAtomC2Ev
        - Src:             'src/forcefield.cpp:2632,13'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
        - Src:             'src/forcefield.cpp:2635,11'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
        - Src:             'src/forcefield.cpp:2636,18'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2636,30'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2636,47'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2636,59'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2639,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2640,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2641,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2642,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2643,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2647,25'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2647,39'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2647,12'
          Dst:             _ZN9OpenBabel7vector33SetEddd
        - Src:             'src/forcefield.cpp:2648,14'
          Dst:             _ZN9OpenBabel12OBForceField18ValidateLineSearchEPNS_6OBAtomERNS_7vector3E
        - Src:             'src/forcefield.cpp:2648,12'
          Dst:             _ZN9OpenBabel7vector3aSERKS0_
        - Src:             'src/forcefield.cpp:2648,7'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2649,29'
          Dst:             _ZNK9OpenBabel6OBAtom1xEv
        - Src:             'src/forcefield.cpp:2649,40'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:2649,51'
          Dst:             _ZNK9OpenBabel6OBAtom1yEv
        - Src:             'src/forcefield.cpp:2649,62'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:2649,13'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
        - 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:2653,9'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2654,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2657,11'
          Dst:             _ZN9OpenBabel6IsNearERKdS1_d
        - Src:             'src/forcefield.cpp:2659,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2667,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2670,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/forcefield.cpp:2670,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
    - functionName:    _ZN9OpenBabel12OBForceField15DetectExplosionEv
      functionSourceFile: '/src/openbabel/src/forcefield.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 2564
      functionLinenumberEnd: 2580
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         25
      ICount:          127
      EdgeCount:       33
      CyclomaticComplexity: 10
      functionsReached:
        - _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - _ZNK9OpenBabel6OBAtom4GetXEv
        - _ZNK9OpenBabel6OBAtom4GetYEv
        - _ZNK9OpenBabel6OBAtom4GetZEv
        - _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
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefield.cpp:2565,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefield.cpp:2565,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefield.cpp:2565,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefield.cpp:2566,27'
          Dst:             _ZNK9OpenBabel6OBAtom4GetXEv
        - Src:             'src/forcefield.cpp:2568,27'
          Dst:             _ZNK9OpenBabel6OBAtom4GetYEv
        - Src:             'src/forcefield.cpp:2570,27'
          Dst:             _ZNK9OpenBabel6OBAtom4GetZEv
        - Src:             'src/forcefield.cpp:2574,5'
          Dst:             _ZN9OpenBabel4impl11MolGetBondsERKNS_5OBMolE
        - Src:             'src/forcefield.cpp:2574,5'
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          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:1956,9'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefield.cpp:1956,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefield.cpp:1956,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefield.cpp:1959,19'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:1960,11'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefield.cpp:1960,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefield.cpp:1960,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefield.cpp:1963,21'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:2017,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2019,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2021,11'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2022,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2024,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2026,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2030,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefield.cpp:2030,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefield.cpp:2030,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefield.cpp:2031,14'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:2032,7'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefield.cpp:2032,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefield.cpp:2032,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefield.cpp:2033,16'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:2040,41'
          Dst:             time
        - Src:             'src/forcefield.cpp:2040,9'
          Dst:             srand
        - Src:             'src/forcefield.cpp:2045,44'
          Dst:             rand
        - Src:             'src/forcefield.cpp:2051,44'
          Dst:             rand
        - Src:             'src/forcefield.cpp:2060,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2062,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2064,11'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2065,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2067,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2069,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2082,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2084,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2086,11'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2087,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2089,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2091,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2102,5'
          Dst:             _ZN9OpenBabel9matrix3x36jacobiEjPdS1_S1_
        - Src:             'src/forcefield.cpp:2107,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2109,9'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2110,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2112,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2114,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2116,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2118,11'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:2119,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2121,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2123,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:2128,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
        - Src:             'src/forcefield.cpp:2128,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/forcefield.cpp:2128,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/forcefield.cpp:2129,14'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/forcefield.cpp:2132,14'
          Dst:             sqrt
        - Src:             'src/forcefield.cpp:2134,15'
          Dst:             sqrt
        - Src:             'src/forcefield.cpp:2137,14'
          Dst:             sqrt
        - Src:             'src/forcefield.cpp:2139,15'
          Dst:             sqrt
        - Src:             'src/forcefield.cpp:2142,14'
          Dst:             sqrt
        - Src:             'src/forcefield.cpp:2144,15'
          Dst:             sqrt
        - Src:             'src/forcefield.cpp:2146,10'
          Dst:             _ZN9OpenBabel6OBAtom9SetVectorEddd
    - functionName:    _ZN9OpenBabel12OBForceField19WeightedRotorSearchEjjb
      functionSourceFile: '/src/openbabel/src/forcefield.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1597
      functionLinenumberEnd: 1834
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
        - 'N/A'
        - int
        - int
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         220
      ICount:          1066
      EdgeCount:       420
      CyclomaticComplexity: 202
      functionsReached:
        - _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - _ZN9OpenBabel11OBRotorList11SetFixAtomsERNS_8OBBitVecE
        - _ZN9OpenBabel11OBRotorList4SizeEv
        - _ZN9OpenBabel11OBRotorList5SetupERNS_5OBMolEb
        - _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - _ZN9OpenBabel11OBRotorListC2Ev
        - _ZN9OpenBabel11OBRotorListD2Ev
        - _ZN9OpenBabel12OBForceField18ConjugateGradientsEidi
        - _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - _ZN9OpenBabel13OBRotamerList21SetBaseCoordinateSetsERNS_5OBMolE
        - _ZN9OpenBabel13OBRotamerList21SetCurrentCoordinatesERNS_5OBMolENSt3__16vectorIiNS3_9allocatorIiEEEE
        - _ZN9OpenBabel13OBRotamerList5SetupERNS_5OBMolERNS_11OBRotorListE
        - _ZN9OpenBabel13OBRotamerListC2Ev
        - _ZN9OpenBabel13OBRotamerListD2Ev
        - _ZN9OpenBabel15OBFFConstraints14GetFixedBitVecEv
        - _ZN9OpenBabel5OBMol12AddConformerEPd
        - _ZN9OpenBabel5OBMol12SetConformerEj
        - _ZN9OpenBabel5OBMol13SetConformersERNSt3__16vectorIPdNS1_9allocatorIS3_EEEE
        - _ZN9OpenBabel5OBMol14GetCoordinatesEv
        - _ZN9OpenBabel5OBMol14SetCoordinatesEPd
        - _ZN9OpenBabel6IsNearERKdS1_d
        - _ZN9OpenBabel7OBRotor13GetResolutionEv
        - _ZN9OpenBabel8OBBitVecD2Ev
        - _ZN9OpenBabel8OBRandom8TimeSeedEv
        - _ZN9OpenBabel8OBRandom9NextFloatEv
        - _ZN9OpenBabel8OBRandomC2Eb
        - _ZN9OpenBabel8ReweightERNSt3__16vectorINS1_IdNS0_9allocatorIdEEEENS2_IS4_EEEENS1_IiNS2_IiEEEEd
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - exp
        - snprintf
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefield.cpp:1601,17'
          Dst:             _ZN9OpenBabel11OBRotorListC2Ev
        - Src:             'src/forcefield.cpp:1602,19'
          Dst:             _ZN9OpenBabel13OBRotamerListC2Ev
        - Src:             'src/forcefield.cpp:1606,14'
          Dst:             _ZN9OpenBabel8OBRandomC2Eb
        - Src:             'src/forcefield.cpp:1607,15'
          Dst:             _ZN9OpenBabel8OBRandom8TimeSeedEv
        - Src:             'src/forcefield.cpp:1610,14'
          Dst:             _ZN9OpenBabel5OBMol14GetCoordinatesEv
        - Src:             'src/forcefield.cpp:1613,45'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1614,48'
          Dst:             _ZN9OpenBabel5OBMol14GetCoordinatesEv
        - Src:             'src/forcefield.cpp:1614,87'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1616,10'
          Dst:             _ZN9OpenBabel5OBMol13SetConformersERNSt3__16vectorIPdNS1_9allocatorIS3_EEEE
        - Src:             'src/forcefield.cpp:1618,10'
          Dst:             _ZN9OpenBabel5OBMol12SetConformerEj
        - Src:             'src/forcefield.cpp:1621,35'
          Dst:             _ZN9OpenBabel15OBFFConstraints14GetFixedBitVecEv
        - Src:             'src/forcefield.cpp:1622,8'
          Dst:             _ZN9OpenBabel11OBRotorList11SetFixAtomsERNS_8OBBitVecE
        - Src:             'src/forcefield.cpp:1623,8'
          Dst:             _ZN9OpenBabel11OBRotorList5SetupERNS_5OBMolEb
        - Src:             'src/forcefield.cpp:1624,14'
          Dst:             _ZN9OpenBabel13OBRotamerList21SetBaseCoordinateSetsERNS_5OBMolE
        - Src:             'src/forcefield.cpp:1625,14'
          Dst:             _ZN9OpenBabel13OBRotamerList5SetupERNS_5OBMolERNS_11OBRotorListE
        - Src:             'src/forcefield.cpp:1628,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1629,92'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1629,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1630,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1633,23'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1635,32'
          Dst:             _ZN9OpenBabel7OBRotor13GetResolutionEv
        - Src:             'src/forcefield.cpp:1634,23'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1637,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1638,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1644,13'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1646,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1649,7'
          Dst:             _ZN9OpenBabel12OBForceField18ConjugateGradientsEidi
        - Src:             'src/forcefield.cpp:1659,34'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1673,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1675,16'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1676,37'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1680,16'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1682,37'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1676,65'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1676,37'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1685,43'
          Dst:             _ZN9OpenBabel7OBRotor13GetResolutionEv
        - Src:             'src/forcefield.cpp:1712,43'
          Dst:             _ZN9OpenBabel7OBRotor13GetResolutionEv
        - Src:             'src/forcefield.cpp:1687,14'
          Dst:             _ZN9OpenBabel5OBMol14SetCoordinatesEPd
        - Src:             'src/forcefield.cpp:1689,18'
          Dst:             _ZN9OpenBabel13OBRotamerList21SetCurrentCoordinatesERNS_5OBMolENSt3__16vectorIiNS3_9allocatorIiEEEE
        - Src:             'src/forcefield.cpp:1693,9'
          Dst:             _ZN9OpenBabel12OBForceField18ConjugateGradientsEidi
        - Src:             'src/forcefield.cpp:1685,43'
          Dst:             _ZN9OpenBabel7OBRotor13GetResolutionEv
        - Src:             'src/forcefield.cpp:1719,43'
          Dst:             _ZN9OpenBabel7OBRotor13GetResolutionEv
        - Src:             'src/forcefield.cpp:1715,23'
          Dst:             exp
        - Src:             'src/forcefield.cpp:1712,43'
          Dst:             _ZN9OpenBabel7OBRotor13GetResolutionEv
        - Src:             'src/forcefield.cpp:1720,13'
          Dst:             _ZN9OpenBabel6IsNearERKdS1_d
        - Src:             'src/forcefield.cpp:1721,31'
          Dst:             _ZN9OpenBabel7OBRotor13GetResolutionEv
        - Src:             'src/forcefield.cpp:1719,43'
          Dst:             _ZN9OpenBabel7OBRotor13GetResolutionEv
        - Src:             'src/forcefield.cpp:1682,65'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1682,37'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1739,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1740,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1741,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1742,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1745,47'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1748,12'
          Dst:             _ZN9OpenBabel5OBMol14SetCoordinatesEPd
        - Src:             'src/forcefield.cpp:1751,18'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1752,39'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1755,31'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:1759,31'
          Dst:             _ZN9OpenBabel8OBRandom9NextFloatEv
        - Src:             'src/forcefield.cpp:1761,45'
          Dst:             _ZN9OpenBabel7OBRotor13GetResolutionEv
        - Src:             'src/forcefield.cpp:1761,45'
          Dst:             _ZN9OpenBabel7OBRotor13GetResolutionEv
        - Src:             'src/forcefield.cpp:1752,67'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1752,39'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1772,16'
          Dst:             _ZN9OpenBabel13OBRotamerList21SetCurrentCoordinatesERNS_5OBMolENSt3__16vectorIiNS3_9allocatorIiEEEE
        - Src:             'src/forcefield.cpp:1778,7'
          Dst:             _ZN9OpenBabel12OBForceField18ConjugateGradientsEidi
        - Src:             'src/forcefield.cpp:1782,44'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1783,43'
          Dst:             _ZN9OpenBabel5OBMol14GetCoordinatesEv
        - Src:             'src/forcefield.cpp:1783,82'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1784,12'
          Dst:             _ZN9OpenBabel5OBMol12AddConformerEPd
        - Src:             'src/forcefield.cpp:1787,9'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1788,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1799,9'
          Dst:             _ZN9OpenBabel8ReweightERNSt3__16vectorINS1_IdNS0_9allocatorIdEEEENS2_IS4_EEEENS1_IiNS2_IiEEEEd
        - Src:             'src/forcefield.cpp:1804,9'
          Dst:             _ZN9OpenBabel8ReweightERNSt3__16vectorINS1_IdNS0_9allocatorIdEEEENS2_IS4_EEEENS1_IiNS2_IiEEEEd
        - Src:             'src/forcefield.cpp:1807,9'
          Dst:             _ZN9OpenBabel8ReweightERNSt3__16vectorINS1_IdNS0_9allocatorIdEEEENS2_IS4_EEEENS1_IiNS2_IiEEEEd
        - Src:             'src/forcefield.cpp:1812,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1814,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1819,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1821,9'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1822,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1827,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1824,11'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1825,11'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1832,10'
          Dst:             _ZN9OpenBabel5OBMol12SetConformerEj
        - Src:             'src/forcefield.cpp:1834,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/forcefield.cpp:1834,3'
          Dst:             _ZN9OpenBabel13OBRotamerListD2Ev
        - Src:             'src/forcefield.cpp:1834,3'
          Dst:             _ZN9OpenBabel11OBRotorListD2Ev
        - Src:             'src/forcefield.cpp:1834,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/forcefield.cpp:1834,3'
          Dst:             _ZN9OpenBabel13OBRotamerListD2Ev
        - Src:             'src/forcefield.cpp:1834,3'
          Dst:             _ZN9OpenBabel11OBRotorListD2Ev
    - functionName:    _ZN9OpenBabel13OBRotamerListC2Ev
      functionSourceFile: '/src/openbabel/include/openbabel/rotamer.h'
      linkageType:     InternalLinkage
      functionLinenumber: 55
      functionLinenumberEnd: 59
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         8
      ICount:          57
      EdgeCount:       13
      CyclomaticComplexity: 7
      functionsReached:
        - _ZN9OpenBabel13OBGenericDataC2ENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEEjNS_10DataOriginE
        - _ZN9OpenBabel13OBGenericDataD2Ev
      functionUses:    5
      BranchProfiles:  []
      Callsites:
        - Src:             'include/openbabel/rotamer.h:54,5'
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        - Src:             'src/forcefield.cpp:1320,40'
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        - Src:             'src/forcefield.cpp:1321,40'
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        - Src:             'src/forcefield.cpp:1321,79'
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        - Src:             'src/forcefield.cpp:1325,17'
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          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1414,10'
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        - Src:             'src/forcefield.cpp:1386,86'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1372,32'
          Dst:             _ZN9OpenBabel7OBRotor13GetResolutionEv
        - Src:             'src/forcefield.cpp:1403,69'
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        - Src:             'src/forcefield.cpp:1408,78'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1423,3'
          Dst:             _ZN9OpenBabel13OBRotamerListD2Ev
        - Src:             'src/forcefield.cpp:1423,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/forcefield.cpp:1423,3'
          Dst:             _ZN9OpenBabel11OBRotorListD2Ev
        - Src:             'src/forcefield.cpp:1423,3'
          Dst:             _ZN9OpenBabel13OBRotamerListD2Ev
        - Src:             'src/forcefield.cpp:1423,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/forcefield.cpp:1423,3'
          Dst:             _ZN9OpenBabel11OBRotorListD2Ev
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        - _ZN9OpenBabel12OBForceField34SystematicRotorSearchNextConformerEj
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      BranchProfiles:  []
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      ICount:          315
      EdgeCount:       138
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      functionsReached:
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        - _ZN9OpenBabel11OBRotorKeys6GetKeyEv
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        - _ZN9OpenBabel11OBRotorKeysC2Ev
        - _ZN9OpenBabel11OBRotorKeysD2Ev
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        - _ZN9OpenBabel11OBRotorList5SetupERNS_5OBMolEb
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        - _ZN9OpenBabel13OBRotamerList19ExpandConformerListERNS_5OBMolERNSt3__16vectorIPdNS3_9allocatorIS5_EEEE
        - _ZN9OpenBabel13OBRotamerList21SetBaseCoordinateSetsERNS_5OBMolE
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        - _ZN9OpenBabel5OBMol13GetConformersEv
        - _ZN9OpenBabel5OBMol13NumConformersEv
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        - _ZN9OpenBabel8OBBitVecD2Ev
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      BranchProfiles:  []
      Callsites:
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        - Src:             'src/forcefield.cpp:1173,19'
          Dst:             _ZN9OpenBabel13OBRotamerListC2Ev
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        - Src:             'src/forcefield.cpp:1180,8'
          Dst:             _ZN9OpenBabel11OBRotorList11SetFixAtomsERNS_8OBBitVecE
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          Dst:             _ZN9OpenBabel13OBRotamerList21SetBaseCoordinateSetsERNS_5OBMolE
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          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
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          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1188,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1191,23'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1193,32'
          Dst:             _ZN9OpenBabel7OBRotor13GetResolutionEv
        - Src:             'src/forcefield.cpp:1192,23'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1195,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1196,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1201,13'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1203,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1205,7'
          Dst:             _ZN9OpenBabel12OBForceField18ConjugateGradientsEidi
        - Src:             'src/forcefield.cpp:1210,17'
          Dst:             _ZN9OpenBabel11OBRotorKeysC2Ev
        - Src:             'src/forcefield.cpp:1211,16'
          Dst:             _ZN9OpenBabel11OBRotorList10BeginRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1212,37'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1215,35'
          Dst:             _ZN9OpenBabel11OBRotorKeys6GetKeyEv
        - Src:             'src/forcefield.cpp:1213,33'
          Dst:             _ZN9OpenBabel7OBRotor13GetResolutionEv
        - Src:             'src/forcefield.cpp:1213,17'
          Dst:             _ZN9OpenBabel11OBRotorKeys8AddRotorEj
        - Src:             'src/forcefield.cpp:1212,65'
          Dst:             _ZN9OpenBabel11OBRotorList9NextRotorERNSt3__111__wrap_iterIPPNS_7OBRotorEEE
        - Src:             'src/forcefield.cpp:1212,37'
          Dst:             _ZN9OpenBabel11OBRotorList4SizeEv
        - Src:             'src/forcefield.cpp:1215,14'
          Dst:             _ZN9OpenBabel13OBRotamerList10AddRotamerENSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/forcefield.cpp:1216,22'
          Dst:             _ZN9OpenBabel11OBRotorKeys4NextEv
        - Src:             'src/forcefield.cpp:1217,37'
          Dst:             _ZN9OpenBabel11OBRotorKeys6GetKeyEv
        - Src:             'src/forcefield.cpp:1217,16'
          Dst:             _ZN9OpenBabel13OBRotamerList10AddRotamerENSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/forcefield.cpp:1216,22'
          Dst:             _ZN9OpenBabel11OBRotorKeys4NextEv
        - Src:             'src/forcefield.cpp:1217,37'
          Dst:             _ZN9OpenBabel11OBRotorKeys6GetKeyEv
        - Src:             'src/forcefield.cpp:1217,16'
          Dst:             _ZN9OpenBabel13OBRotamerList10AddRotamerENSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/forcefield.cpp:1219,45'
          Dst:             _ZN9OpenBabel5OBMol13GetConformersEv
        - Src:             'src/forcefield.cpp:1219,14'
          Dst:             _ZN9OpenBabel13OBRotamerList19ExpandConformerListERNS_5OBMolERNSt3__16vectorIPdNS3_9allocatorIS5_EEEE
        - Src:             'src/forcefield.cpp:1222,74'
          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
        - Src:             'src/forcefield.cpp:1222,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1223,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1224,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1225,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1230,17'
          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
        - Src:             'src/forcefield.cpp:1231,3'
          Dst:             _ZN9OpenBabel11OBRotorKeysD2Ev
        - Src:             'src/forcefield.cpp:1231,3'
          Dst:             _ZN9OpenBabel11OBRotorKeysD2Ev
        - Src:             'src/forcefield.cpp:1231,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/forcefield.cpp:1231,3'
          Dst:             _ZN9OpenBabel13OBRotamerListD2Ev
        - Src:             'src/forcefield.cpp:1231,3'
          Dst:             _ZN9OpenBabel11OBRotorListD2Ev
        - Src:             'src/forcefield.cpp:1231,3'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
        - Src:             'src/forcefield.cpp:1231,3'
          Dst:             _ZN9OpenBabel13OBRotamerListD2Ev
        - Src:             'src/forcefield.cpp:1231,3'
          Dst:             _ZN9OpenBabel11OBRotorListD2Ev
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      BBCount:         24
      ICount:          147
      EdgeCount:       31
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
        - Src:             'src/forcefield.cpp:1241,32'
          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
        - Src:             'src/forcefield.cpp:1241,32'
          Dst:             _ZN9OpenBabel5OBMol13NumConformersEv
        - Src:             'src/forcefield.cpp:1247,9'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1248,9'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
        - Src:             'src/forcefield.cpp:1251,12'
          Dst:             _ZN9OpenBabel5OBMol12SetConformerEj
        - Src:             'src/forcefield.cpp:1258,10'
          Dst:             _ZN9OpenBabel5OBMol12SetConformerEj
        - Src:             'src/forcefield.cpp:1262,5'
          Dst:             _ZN9OpenBabel12OBForceField18ConjugateGradientsEidi
        - Src:             'src/forcefield.cpp:1268,7'
          Dst:             snprintf
        - Src:             'src/forcefield.cpp:1269,7'
          Dst:             _ZN9OpenBabel12OBForceField7OBFFLogEPKc
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      argCount:        1
      argTypes:
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      ICount:          13
      EdgeCount:       3
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      functionsReached: []
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    - functionName:    _ZN9OpenBabel11OBRotorKeys6GetKeyEv
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
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      returnType:      void
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      argTypes:
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      argNames:
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      BBCount:         14
      ICount:          64
      EdgeCount:       27
      CyclomaticComplexity: 15
      functionsReached:
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      functionUses:    3
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel11rotor_digit9get_stateEv
    - functionName:    _ZN9OpenBabel11OBRotorKeys8AddRotorEj
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
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      ICount:          16
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel11rotor_digitC2Ej
    - functionName:    _ZN9OpenBabel11OBRotorKeys4NextEv
      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
      linkageType:     InternalLinkage
      functionLinenumber: 801
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      functionsReached:
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      functionUses:    2
      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel11rotor_digit4nextEv
        - Src:             'include/openbabel/rotor.h:811,26'
          Dst:             _ZN9OpenBabel11rotor_digit4nextEv
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      functionSourceFile: '/src/openbabel/include/openbabel/rotor.h'
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      argTypes:
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      ICount:          12
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      functionsReached: []
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      linkageType:     externalLinkage
      functionLinenumber: 1136
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      argTypes:
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        - 'N/A'
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
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      BBCount:         12
      ICount:          114
      EdgeCount:       15
      CyclomaticComplexity: 5
      functionsReached:
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      BranchProfiles:  []
      Callsites:
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        - Src:             'src/forcefield.cpp:1140,22'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:1140,41'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:1140,55'
          Dst:             _ZN9OpenBabel7vector31xEv
        - Src:             'src/forcefield.cpp:1142,28'
          Dst:             _ZN9OpenBabel7vector31xEv
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        - Src:             'src/forcefield.cpp:1142,57'
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        - Src:             'src/forcefield.cpp:1144,22'
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          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:1145,41'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:1145,55'
          Dst:             _ZN9OpenBabel7vector31yEv
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          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:1147,42'
          Dst:             _ZN9OpenBabel7vector31yEv
        - Src:             'src/forcefield.cpp:1147,57'
          Dst:             _ZN9OpenBabel7vector31yEv
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          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefield.cpp:1150,22'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefield.cpp:1150,41'
          Dst:             _ZN9OpenBabel7vector31zEv
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          Dst:             _ZN9OpenBabel7vector31zEv
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          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefield.cpp:1152,42'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefield.cpp:1152,57'
          Dst:             _ZN9OpenBabel7vector31zEv
        - Src:             'src/forcefield.cpp:1158,12'
          Dst:             _ZN9OpenBabel7vector3C2Eddd
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      linkageType:     externalLinkage
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      argTypes:
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      constantsTouched: []
      argNames:
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      ICount:          176
      EdgeCount:       36
      CyclomaticComplexity: 4
      functionsReached:
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        - _ZN9OpenBabel5OBMol12GetConformerEi
        - _ZN9OpenBabel5OBMol12SetConformerEj
        - _ZN9OpenBabel5OBMol13NumConformersEv
        - _ZN9OpenBabel5OBMol13SetConformersERNSt3__16vectorIPdNS1_9allocatorIS3_EEEE
        - _ZN9OpenBabel6OBAtom9GetVectorEv
        - _ZN9OpenBabel6OBAtom9SetVectorERKNS_7vector3E
        - _ZNK9OpenBabel5OBMol7GetAtomEi
        - _ZNK9OpenBabel5OBMol8NumAtomsEv
        - _ZNK9OpenBabel6OBAtom6GetIdxEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
      functionUses:    0
      BranchProfiles:  []
      Callsites:
        - Src:             'src/forcefield.cpp:1108,14'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1108,32'
          Dst:             _ZNK9OpenBabel5OBMol8NumAtomsEv
        - Src:             'src/forcefield.cpp:1111,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsERKNS_5OBMolE
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          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
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        - Src:             'src/forcefield.cpp:1026,5'
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        - Src:             'src/forcefield.cpp:1028,26'
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        - Src:             'src/forcefield.cpp:1028,13'
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          Dst:             _ZN9OpenBabel5OBMolaSERKS0_
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          Dst:             _ZN9OpenBabel15OBFFConstraintsaSERKS0_
        - Src:             'src/forcefield.cpp:908,13'
          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZN9OpenBabel15OBFFConstraintsaSERKS0_
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          Dst:             _ZN9OpenBabel15OBFFConstraints5SetupERNS_5OBMolE
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          Dst:             _ZN9OpenBabel12OBForceField14SetCoordinatesERNS_5OBMolE
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          Dst:             _ZN9OpenBabel7vector3C2ERKS0_
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector31zEv
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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        - Src:             'src/generic.cpp:660,11'
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
        - Src:             'src/generic.cpp:665,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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        - Src:             'src/generic.cpp:608,3'
          Dst:             _ZN9OpenBabel7vector3D2Ev
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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          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
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          Dst:             _ZN9OpenBabel7vector3D2Ev
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        - Src:             'src/generic.cpp:305,22'
          Dst:             _ZN9OpenBabel11vectorAngleERKNS_7vector3ES2_
        - Src:             'src/generic.cpp:306,25'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
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        - Src:             'src/generic.cpp:308,25'
          Dst:             _ZNK9OpenBabel7vector36lengthEv
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          Dst:             _ZN9OpenBabel9matrix3x38FillOrthEdddddd
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        - 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
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          Dst:             _ZN9OpenBabel9matrix3x3C2Ed
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          Dst:             _ZN9OpenBabel7vector3C2Eddd
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          Dst:             _ZN9OpenBabel9matrix3x3D2Ev
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZN9OpenBabel17OBGraphSymPrivate12GetHvyDegreeEPNS_6OBAtomE
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          Dst:             _ZNK9OpenBabel6OBAtom10IsAromaticEv
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          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
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          Dst:             _ZNK9OpenBabel6OBAtom12GetAtomicNumEv
        - Src:             'src/graphsym.cpp:321,14'
          Dst:             _ZN9OpenBabel17OBGraphSymPrivate13GetHvyBondSumEPNS_6OBAtomE
        - Src:             'src/graphsym.cpp:322,25'
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZN9OpenBabel9KekulizerD2Ev
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          Dst:             _ZN9OpenBabel9Kekulizer17AssignDoubleBondsEv
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      CyclomaticComplexity: 8
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        - _ZNK9OpenBabel6OBBond10IsAromaticEv
        - _ZNK9OpenBabel6OBBond6GetIdxEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - _ZNK9OpenBabel8OBBitVec7IsEmptyEv
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel8OBBitVecC2Ej
        - Src:             'src/kekulize.cpp:197,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsEPKNS_5OBMolE
        - Src:             'src/kekulize.cpp:197,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/kekulize.cpp:197,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/kekulize.cpp:203,25'
          Dst:             _ZN9OpenBabel8OBBitVecC2ERKS0_
        - Src:             'src/kekulize.cpp:198,11'
          Dst:             _ZN9OpenBabelL15NeedsDoubleBondEPNS_6OBAtomE
        - Src:             'src/kekulize.cpp:199,40'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/kekulize.cpp:199,25'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/kekulize.cpp:206,44'
          Dst:             calloc
        - Src:             'src/kekulize.cpp:208,5'
          Dst:             _ZN9OpenBabel4impl11MolGetAtomsEPKNS_5OBMolE
        - Src:             'src/kekulize.cpp:208,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/kekulize.cpp:208,5'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBAtomENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/kekulize.cpp:209,37'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/kekulize.cpp:210,28'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/kekulize.cpp:215,7'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/kekulize.cpp:215,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/kekulize.cpp:215,7'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/kekulize.cpp:216,20'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/kekulize.cpp:217,29'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/kekulize.cpp:218,43'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/kekulize.cpp:218,29'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/kekulize.cpp:227,23'
          Dst:             _ZN9OpenBabel8OBBitVecC2Ej
        - Src:             'src/kekulize.cpp:237,45'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/kekulize.cpp:237,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/kekulize.cpp:238,9'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/kekulize.cpp:238,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/kekulize.cpp:238,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/kekulize.cpp:239,22'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/kekulize.cpp:240,31'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/kekulize.cpp:241,46'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/kekulize.cpp:241,32'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/kekulize.cpp:243,39'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/kekulize.cpp:243,24'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/kekulize.cpp:244,43'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
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          Dst:             _ZN9OpenBabel8OBBitVec9SetBitOffEj
        - Src:             'src/kekulize.cpp:245,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/kekulize.cpp:245,27'
          Dst:             _ZN9OpenBabel8OBBitVec9SetBitOffEj
        - Src:             'src/kekulize.cpp:247,11'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/kekulize.cpp:247,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/kekulize.cpp:247,11'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/kekulize.cpp:248,54'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/kekulize.cpp:249,39'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/kekulize.cpp:250,46'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/kekulize.cpp:251,34'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/kekulize.cpp:261,27'
          Dst:             _ZNK9OpenBabel8OBBitVec7IsEmptyEv
        - Src:             'src/kekulize.cpp:270,20'
          Dst:             _ZN9OpenBabel12NodeIteratorC2ERPjj
        - Src:             'src/kekulize.cpp:272,46'
          Dst:             _ZN9OpenBabel12NodeIterator4nextEv
        - Src:             'src/kekulize.cpp:273,30'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/kekulize.cpp:276,31'
          Dst:             _ZNK9OpenBabel5OBMol7GetAtomEi
        - Src:             'src/kekulize.cpp:277,9'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/kekulize.cpp:277,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/kekulize.cpp:277,9'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/kekulize.cpp:278,22'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
        - Src:             'src/kekulize.cpp:279,31'
          Dst:             _ZN9OpenBabel6OBBond10GetNbrAtomEPNS_6OBAtomE
        - Src:             'src/kekulize.cpp:280,46'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/kekulize.cpp:280,32'
          Dst:             _ZNK9OpenBabel8OBBitVec8BitIsSetEj
        - Src:             'src/kekulize.cpp:282,39'
          Dst:             _ZNK9OpenBabel6OBBond6GetIdxEv
        - Src:             'src/kekulize.cpp:282,24'
          Dst:             _ZN9OpenBabel8OBBitVec8SetBitOnEj
        - Src:             'src/kekulize.cpp:283,27'
          Dst:             _ZN9OpenBabel8OBBitVec9SetBitOffEj
        - Src:             'src/kekulize.cpp:284,42'
          Dst:             _ZNK9OpenBabel6OBAtom6GetIdxEv
        - Src:             'src/kekulize.cpp:284,27'
          Dst:             _ZN9OpenBabel8OBBitVec9SetBitOffEj
        - Src:             'src/kekulize.cpp:288,13'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/kekulize.cpp:288,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE5beginEv
        - Src:             'src/kekulize.cpp:288,13'
          Dst:             _ZNK9OpenBabel7OBRangeIPNS_6OBBondENSt3__111__wrap_iterIPKS2_EEE3endEv
        - Src:             'src/kekulize.cpp:288,13'
          Dst:             _ZN9OpenBabel4impl12AtomGetBondsEPKNS_6OBAtomE
        - Src:             'src/kekulize.cpp:288,13'
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          Dst:             _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - Src:             'src/mcdlutil.cpp:1602,3'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
        - Src:             'src/mcdlutil.cpp:1602,3'
          Dst:             _ZN9OpenBabel14OBStereoFacadeD2Ev
    - functionName:    _ZN9OpenBabel14TemplateRedrawC2Ev
      functionSourceFile: '/src/openbabel/src/mcdlutil.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 5149
      functionLinenumberEnd: 5184
      functionDepth:   0
      returnType:      void
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         43
      ICount:          181
      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:5156,25'
          Dst:             _ZN9OpenBabel15TEditedMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:5160,9'
          Dst:             _ZN9OpenBabel14TemplateRedraw13loadTemplatesEv
        - Src:             'src/mcdlutil.cpp:5163,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule20setCoordinatesStringENSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9allocatorIcEEEE
        - Src:             'src/mcdlutil.cpp:5164,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5165,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - Src:             'src/mcdlutil.cpp:5166,18'
          Dst:             _ZN9OpenBabel15TEditedMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:5167,15'
          Dst:             _ZN9OpenBabel15TEditedMolecule12prepareQueryERNS_15TSimpleMoleculeE
        - Src:             'src/mcdlutil.cpp:5174,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5174,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5175,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5175,42'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5176,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5176,44'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5183,7'
          Dst:             _ZN9OpenBabel15TEditedMoleculeD2Ev
        - Src:             'src/mcdlutil.cpp:5183,7'
          Dst:             _ZN9OpenBabel15TEditedMoleculeD2Ev
    - functionName:    _ZN9OpenBabel14TemplateRedraw10redrawFineERNS_15TSimpleMoleculeE
      functionSourceFile: '/src/openbabel/src/mcdlutil.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 5838
      functionLinenumberEnd: 6037
      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:5841,38'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5851,21'
          Dst:             _ZN9OpenBabel15TEditedMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:5852,21'
          Dst:             _ZN9OpenBabel15TEditedMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:5861,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5865,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5862,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5862,24'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:5862,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5863,41'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5863,25'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:5863,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5861,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5866,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - Src:             'src/mcdlutil.cpp:5867,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14redrawMoleculeEv
        - Src:             'src/mcdlutil.cpp:5871,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule17averageBondLengthEv
        - Src:             'src/mcdlutil.cpp:5874,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:5876,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5887,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5876,47'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5876,78'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5876,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5889,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5887,63'
          Dst:             _ZN9OpenBabel8intToStrEi
        - Src:             'src/mcdlutil.cpp:5887,46'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5887,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5892,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5889,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5893,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12makeFragmentERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - Src:             'src/mcdlutil.cpp:5898,19'
          Dst:             _ZN9OpenBabel15TEditedMolecule15extractFragmentEiPNSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/mcdlutil.cpp:5899,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5900,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5892,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5908,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5924,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5924,42'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5924,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5927,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:5931,11'
          Dst:             _ZN9OpenBabel14TemplateRedraw18coordinatesPrepareERNS_15TEditedMoleculeEii
        - Src:             'src/mcdlutil.cpp:5933,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule20correctDblBondStereoEv
        - Src:             'src/mcdlutil.cpp:5934,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule17correctOverlappedEv
        - Src:             'src/mcdlutil.cpp:5936,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:5938,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:5943,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5944,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5946,7'
          Dst:             _ZN9OpenBabel14TemplateRedraw27selectFragmentConfigurationEPNS_15TSimpleMoleculeEPNSt3__16vectorIiNS3_9allocatorIiEEEE
        - Src:             'src/mcdlutil.cpp:5947,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule17averageBondLengthEv
        - Src:             'src/mcdlutil.cpp:5948,47'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5949,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5949,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5950,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5950,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5948,47'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5958,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule5clearEv
        - Src:             'src/mcdlutil.cpp:5962,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5966,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5963,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5963,28'
          Dst:             _ZN9OpenBabel11TSingleAtom5cloneEv
        - Src:             'src/mcdlutil.cpp:5964,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7addAtomEPNS_11TSingleAtomE
        - Src:             'src/mcdlutil.cpp:5962,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5976,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5967,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5967,28'
          Dst:             _ZN9OpenBabel11TSingleBond5cloneEv
        - Src:             'src/mcdlutil.cpp:5968,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5969,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5970,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7addBondEPNS_11TSingleBondE
        - Src:             'src/mcdlutil.cpp:5966,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5977,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5977,71'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5978,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5978,71'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5979,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5979,71'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5980,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5980,71'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5976,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5982,14'
          Dst:             _ZN9OpenBabel22PartFragmentDefinitionC2Ev
        - Src:             'src/mcdlutil.cpp:5994,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5996,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5999,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule17averageBondLengthEv
        - Src:             'src/mcdlutil.cpp:6005,7'
          Dst:             _ZN9OpenBabel14TemplateRedraw16arrangeMoleculesERNSt3__16vectorIPNS_22PartFragmentDefinitionENS1_9allocatorIS4_EEEEd
        - Src:             'src/mcdlutil.cpp:6009,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12makeFragmentERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - Src:             'src/mcdlutil.cpp:6010,9'
          Dst:             _ZN9OpenBabel14TemplateRedraw21rescaleSingleFragmentEPNS_15TSimpleMoleculeEPNSt3__16vectorIiNS3_9allocatorIiEEEERNS_22PartFragmentDefinitionEd
        - Src:             'src/mcdlutil.cpp:6014,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule17averageBondLengthEv
        - Src:             'src/mcdlutil.cpp:6015,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:6016,38'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6016,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6017,38'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6017,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6015,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:6019,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:6020,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6020,9'
          Dst:             atoi
        - Src:             'src/mcdlutil.cpp:6022,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6022,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6023,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6023,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6019,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:6037,3'
          Dst:             _ZN9OpenBabel15TEditedMoleculeD2Ev
        - Src:             'src/mcdlutil.cpp:6037,3'
          Dst:             _ZN9OpenBabel15TEditedMoleculeD2Ev
        - Src:             'src/mcdlutil.cpp:6037,3'
          Dst:             _ZN9OpenBabel15TEditedMoleculeD2Ev
        - Src:             'src/mcdlutil.cpp:6037,3'
          Dst:             _ZN9OpenBabel15TEditedMoleculeD2Ev
    - functionName:    _ZN9OpenBabel15TSimpleMolecule10getMolfileERNSt3__113basic_ostreamIcNS1_11char_traitsIcEEEE
      functionSourceFile: '/src/openbabel/src/mcdlutil.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 2669
      functionLinenumberEnd: 2710
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         25
      ICount:          137
      EdgeCount:       33
      CyclomaticComplexity: 10
      functionsReached:
        - _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - snprintf
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/mcdlutil.cpp:2676,71'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2676,80'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:2676,5'
          Dst:             snprintf
        - Src:             'src/mcdlutil.cpp:2678,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2693,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:2679,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2689,7'
          Dst:             snprintf
        - Src:             'src/mcdlutil.cpp:2678,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2694,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2707,7'
          Dst:             snprintf
        - Src:             'src/mcdlutil.cpp:2693,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
    - functionName:    _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
      functionSourceFile: '/src/openbabel/src/mcdlutil.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1605
      functionLinenumberEnd: 1606
      functionDepth:   0
      returnType:      int
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         3
      ICount:          14
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    255
      BranchProfiles:  []
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4425,42'
          Dst:             _ZN9OpenBabel11TSingleBond5cloneEv
        - Src:             'src/mcdlutil.cpp:4426,49'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4427,49'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4428,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7addBondEPNS_11TSingleBondE
        - Src:             'src/mcdlutil.cpp:4423,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
    - functionName:    _ZN9OpenBabel14TemplateRedraw18coordinatesPrepareERNS_15TEditedMoleculeEii
      functionSourceFile: '/src/openbabel/src/mcdlutil.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 5639
      functionLinenumberEnd: 5830
      functionDepth:   0
      returnType:      int
      argCount:        4
      argTypes:
        - 'N/A'
        - 'N/A'
        - int
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         263
      ICount:          1212
      EdgeCount:       514
      CyclomaticComplexity: 253
      functionsReached:
        - _ZN9OpenBabel11TSingleAtom5cloneEv
        - _ZN9OpenBabel11TSingleBond5cloneEv
        - _ZN9OpenBabel14TemplateRedraw18coordinatesPrepareERNS_15TEditedMoleculeEii
        - _ZN9OpenBabel14TemplateRedraw20internalBondsPresentEPNS_15TEditedMoleculeEPNS_15TSimpleMoleculeE
        - _ZN9OpenBabel15TEditedMolecule13addAsTemplateERS0_iiiib
        - _ZN9OpenBabel15TEditedMolecule14fragmentSearchEPS0_PNSt3__16vectorIiNS2_9allocatorIiEEEE
        - _ZN9OpenBabel15TEditedMolecule15extractFragmentEiPNSt3__16vectorIiNS1_9allocatorIiEEEE
        - _ZN9OpenBabel15TEditedMoleculeC2Ev
        - _ZN9OpenBabel15TEditedMoleculeD2Ev
        - _ZN9OpenBabel15TSimpleMolecule10deleteAtomEi
        - _ZN9OpenBabel15TSimpleMolecule10deleteBondEi
        - _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - _ZN9OpenBabel15TSimpleMolecule14redrawMoleculeEv
        - _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - _ZN9OpenBabel15TSimpleMolecule6redrawENSt3__16vectorIiNS1_9allocatorIiEEEES5_iRiiiib
        - _ZN9OpenBabel15TSimpleMolecule7addAtomEPNS_11TSingleAtomE
        - _ZN9OpenBabel15TSimpleMolecule7addAtomEiidd
        - _ZN9OpenBabel15TSimpleMolecule7addBondEPNS_11TSingleBondE
        - _ZN9OpenBabel15TSimpleMolecule7addBondEiii
        - _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - _ZN9OpenBabel15TSimpleMolecule7getBondEi
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/mcdlutil.cpp:5649,21'
          Dst:             _ZN9OpenBabel15TEditedMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:5660,8'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5661,8'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - Src:             'src/mcdlutil.cpp:5667,78'
          Dst:             _ZN9OpenBabel15TEditedMolecule14fragmentSearchEPS0_PNSt3__16vectorIiNS2_9allocatorIiEEEE
        - Src:             'src/mcdlutil.cpp:5669,15'
          Dst:             _ZN9OpenBabel14TemplateRedraw20internalBondsPresentEPNS_15TEditedMoleculeEPNS_15TSimpleMoleculeE
        - Src:             'src/mcdlutil.cpp:5679,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7addAtomEiidd
        - Src:             'src/mcdlutil.cpp:5680,38'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5680,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7addBondEiii
        - Src:             'src/mcdlutil.cpp:5681,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5683,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14redrawMoleculeEv
        - Src:             'src/mcdlutil.cpp:5685,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5685,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10deleteBondEi
        - Src:             'src/mcdlutil.cpp:5686,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5686,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10deleteAtomEi
        - Src:             'src/mcdlutil.cpp:5687,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5696,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5698,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5702,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5702,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5703,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5703,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5698,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5696,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5714,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5724,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5733,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5730,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5730,35'
          Dst:             _ZN9OpenBabel11TSingleAtom5cloneEv
        - Src:             'src/mcdlutil.cpp:5730,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7addAtomEPNS_11TSingleAtomE
        - Src:             'src/mcdlutil.cpp:5724,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5734,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5734,27'
          Dst:             _ZN9OpenBabel11TSingleBond5cloneEv
        - Src:             'src/mcdlutil.cpp:5737,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7addBondEPNS_11TSingleBondE
        - Src:             'src/mcdlutil.cpp:5733,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5742,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5743,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - Src:             'src/mcdlutil.cpp:5748,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5749,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5749,55'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5749,91'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5749,124'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5750,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5752,30'
          Dst:             _ZN9OpenBabel15TEditedMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:5753,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5754,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5755,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5757,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5758,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5760,47'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5761,47'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5762,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10deleteBondEi
        - Src:             'src/mcdlutil.cpp:5763,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5764,29'
          Dst:             _ZN9OpenBabel15TEditedMolecule15extractFragmentEiPNSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/mcdlutil.cpp:5765,25'
          Dst:             _ZN9OpenBabel15TEditedMolecule15extractFragmentEiPNSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/mcdlutil.cpp:5766,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:5768,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:5748,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5777,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5783,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5786,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5787,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5783,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5796,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5797,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6redrawENSt3__16vectorIiNS1_9allocatorIiEEEES5_iRiiiib
        - Src:             'src/mcdlutil.cpp:5801,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5801,64'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5801,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5808,9'
          Dst:             _ZN9OpenBabel14TemplateRedraw18coordinatesPrepareERNS_15TEditedMoleculeEii
        - Src:             'src/mcdlutil.cpp:5810,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5810,46'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5810,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5814,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5814,64'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:5814,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5819,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5821,14'
          Dst:             _ZN9OpenBabel15TEditedMolecule13addAsTemplateERS0_iiiib
        - Src:             'src/mcdlutil.cpp:5824,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:5825,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:5826,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - Src:             'src/mcdlutil.cpp:5830,3'
          Dst:             _ZN9OpenBabel15TEditedMoleculeD2Ev
        - Src:             'src/mcdlutil.cpp:5830,3'
          Dst:             _ZN9OpenBabel15TEditedMoleculeD2Ev
    - functionName:    _ZN9OpenBabel15TSimpleMolecule20correctDblBondStereoEv
      functionSourceFile: '/src/openbabel/src/mcdlutil.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 3073
      functionLinenumberEnd: 3118
      functionDepth:   0
      returnType:      bool
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         61
      ICount:          265
      EdgeCount:       83
      CyclomaticComplexity: 24
      functionsReached:
        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - _ZN9OpenBabel15TSimpleMolecule9flipSmallEi
        - _ZN9OpenBabel8sproductERNS_15TSimpleMoleculeEiii
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/mcdlutil.cpp:3079,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:3080,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:3098,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:3099,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:3098,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:3111,13'
          Dst:             _ZN9OpenBabel8sproductERNS_15TSimpleMoleculeEiii
        - Src:             'src/mcdlutil.cpp:3113,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule9flipSmallEi
        - Src:             'src/mcdlutil.cpp:3079,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
    - functionName:    _ZN9OpenBabel15TSimpleMolecule17correctOverlappedEv
      functionSourceFile: '/src/openbabel/src/mcdlutil.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 3338
      functionLinenumberEnd: 3489
      functionDepth:   0
      returnType:      int
      argCount:        1
      argTypes:
        - 'N/A'
      constantsTouched: []
      argNames:
        - ''
      BBCount:         204
      ICount:          843
      EdgeCount:       206
      CyclomaticComplexity: 4
      functionsReached:
        - _ZN9OpenBabel15TSimpleMolecule11bondEnlargeEi
        - _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - _ZN9OpenBabel15TSimpleMolecule13hasOverlappedEdb
        - _ZN9OpenBabel15TSimpleMolecule16setupRotorSearchERKNSt3__16vectorIiNS1_9allocatorIiEEEERS5_S8_
        - _ZN9OpenBabel15TSimpleMolecule17averageBondLengthEv
        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - _ZN9OpenBabel15TSimpleMolecule9flipSmallEi
        - _ZN9OpenBabel15TSimpleMoleculeC2Ev
        - _ZN9OpenBabel15incrementValuesERNSt3__16vectorIiNS0_9allocatorIiEEEES4_
      functionUses:    1
      BranchProfiles:  []
      Callsites:
        - Src:             'src/mcdlutil.cpp:3340,34'
          Dst:             _ZN9OpenBabel15TSimpleMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:3342,38'
          Dst:             _ZN9OpenBabel15TSimpleMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:3346,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:3347,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:3348,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:3352,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule17averageBondLengthEv
        - Src:             'src/mcdlutil.cpp:3353,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule13hasOverlappedEdb
        - Src:             'src/mcdlutil.cpp:3355,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:3359,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:3359,38'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:3360,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule9flipSmallEi
        - Src:             'src/mcdlutil.cpp:3361,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule13hasOverlappedEdb
        - Src:             'src/mcdlutil.cpp:3365,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:3366,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:3359,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:3372,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:3376,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:3377,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:3386,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:3386,41'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:3389,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:3391,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:3392,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:3393,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:3396,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:3398,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:3399,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:3400,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:3376,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:3409,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule16setupRotorSearchERKNSt3__16vectorIiNS1_9allocatorIiEEEERS5_S8_
        - Src:             'src/mcdlutil.cpp:3420,24'
          Dst:             _ZN9OpenBabel15TSimpleMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:3421,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:3425,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:3429,44'
          Dst:             _ZN9OpenBabel15TSimpleMolecule9flipSmallEi
        - Src:             'src/mcdlutil.cpp:3431,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule13hasOverlappedEdb
        - Src:             'src/mcdlutil.cpp:3434,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:3438,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:3439,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule9flipSmallEi
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      ICount:          94
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4853,77'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
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        - Src:             'src/mcdlutil.cpp:4854,77'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4855,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4855,81'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4856,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4856,87'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4857,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4857,87'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4858,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4858,105'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4859,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4859,77'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4862,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4862,27'
          Dst:             calloc
        - Src:             'src/mcdlutil.cpp:4863,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4867,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4867,27'
          Dst:             calloc
        - Src:             'src/mcdlutil.cpp:4868,32'
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        - Src:             'src/mcdlutil.cpp:4864,31'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4864,24'
          Dst:             calloc
        - Src:             'src/mcdlutil.cpp:4863,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4869,31'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4869,24'
          Dst:             calloc
        - Src:             'src/mcdlutil.cpp:4868,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4880,29'
          Dst:             _ZN9OpenBabel15TEditedMolecule14atomBondChangeEv
        - Src:             'src/mcdlutil.cpp:4881,16'
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        - Src:             'src/mcdlutil.cpp:4882,69'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4882,51'
          Dst:             calloc
        - Src:             'src/mcdlutil.cpp:4883,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineBondConnEPNS_12adjustedlistE
        - Src:             'src/mcdlutil.cpp:4886,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4892,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4888,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4888,71'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4889,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4886,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4898,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4892,58'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4893,60'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4893,101'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4895,62'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4893,101'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4892,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4898,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4899,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4904,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4905,56'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4905,67'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4905,17'
          Dst:             _ZN9OpenBabel11TSingleAtom14atomEquivalentEPS0_S1_iibb
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4911,31'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4911,66'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4925,46'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4928,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4931,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4938,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4931,59'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4932,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4931,59'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4931,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4932,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4938,59'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4941,59'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4941,70'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4941,20'
          Dst:             _ZN9OpenBabel11TSingleAtom14atomEquivalentEPS0_S1_iibb
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4942,110'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4945,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4949,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4949,68'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4938,59'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4938,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4960,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4961,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4960,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4961,57'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4963,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4963,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4964,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4964,60'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4967,58'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4967,69'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4967,19'
          Dst:             _ZN9OpenBabel11TSingleBond14bondEquivalentEPS0_S1_
        - Src:             'src/mcdlutil.cpp:4961,57'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4961,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4973,52'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4973,61'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4973,13'
          Dst:             _ZN9OpenBabel15TEditedMolecule15allQueryPresentENSt3__16vectorIiNS1_9allocatorIiEEEES5_ii
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4976,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4994,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4995,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4994,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4996,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4995,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4997,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4996,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4998,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4997,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4998,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5004,15'
          Dst:             _ZN9OpenBabel15TEditedMolecule13directBondAssERiRbS2_PKPKbS6_RNSt3__16vectorIiNS7_9allocatorIiEEEESC_SC_SC_SC_SB_PKNS_12adjustedlistEPNS_15TSimpleMoleculeE
        - Src:             'src/mcdlutil.cpp:5019,31'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5023,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5030,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5031,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5032,41'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5032,41'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5038,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5041,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5038,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5041,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
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      functionLinenumberEnd: 5211
      functionDepth:   0
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      constantsTouched: []
      argNames:
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      BBCount:         46
      ICount:          220
      EdgeCount:       55
      CyclomaticComplexity: 11
      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5195,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5201,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5202,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5201,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:5202,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:5204,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:5205,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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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:
        - Src:             'src/mcdlutil.cpp:1333,12'
          Dst:             _ZN9OpenBabel11TSingleAtomC2Ev
    - functionName:    _ZN9OpenBabel15TSimpleMolecule7addBondEiii
      functionSourceFile: '/src/openbabel/src/mcdlutil.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1345
      functionLinenumberEnd: 1352
      functionDepth:   0
      returnType:      void
      argCount:        4
      argTypes:
        - 'N/A'
        - int
        - int
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
      BBCount:         3
      ICount:          28
      EdgeCount:       3
      CyclomaticComplexity: 2
      functionsReached:
        - _ZN9OpenBabel11TSingleBondC2Ev
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/mcdlutil.cpp:1347,12'
          Dst:             _ZN9OpenBabel11TSingleBondC2Ev
    - functionName:    _ZN9OpenBabel15TSimpleMolecule10deleteBondEi
      functionSourceFile: '/src/openbabel/src/mcdlutil.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1370
      functionLinenumberEnd: 1386
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         27
      ICount:          124
      EdgeCount:       29
      CyclomaticComplexity: 4
      functionsReached:
        - _ZN9OpenBabel11TSingleBondD2Ev
        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - _ZN9OpenBabel15TSimpleMolecule7getBondEi
      functionUses:    2
      BranchProfiles:  []
      Callsites:
        - Src:             'src/mcdlutil.cpp:1371,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:1376,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:1377,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1380,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1380,9'
          Dst:             _ZN9OpenBabel11TSingleBondD2Ev
        - Src:             'src/mcdlutil.cpp:1376,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
    - functionName:    _ZN9OpenBabel15TSimpleMolecule10deleteAtomEi
      functionSourceFile: '/src/openbabel/src/mcdlutil.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 1389
      functionLinenumberEnd: 1422
      functionDepth:   0
      returnType:      void
      argCount:        2
      argTypes:
        - 'N/A'
        - int
      constantsTouched: []
      argNames:
        - ''
        - ''
      BBCount:         69
      ICount:          310
      EdgeCount:       137
      CyclomaticComplexity: 70
      functionsReached:
        - _ZN9OpenBabel11TSingleAtomD2Ev
        - _ZN9OpenBabel11TSingleBondD2Ev
        - _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - _ZN9OpenBabel15TSimpleMolecule7getBondEi
      functionUses:    3
      BranchProfiles:  []
      Callsites:
        - Src:             'src/mcdlutil.cpp:1390,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:1391,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:1396,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:1397,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1400,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1400,9'
          Dst:             _ZN9OpenBabel11TSingleAtomD2Ev
        - Src:             'src/mcdlutil.cpp:1396,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:1409,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1409,44'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1410,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1410,9'
          Dst:             _ZN9OpenBabel11TSingleBondD2Ev
        - Src:             'src/mcdlutil.cpp:1413,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1413,58'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1413,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1414,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1414,58'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1414,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:1415,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
    - functionName:    _ZN9OpenBabel15TSimpleMolecule6redrawENSt3__16vectorIiNS1_9allocatorIiEEEES5_iRiiiib
      functionSourceFile: '/src/openbabel/src/mcdlutil.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 2166
      functionLinenumberEnd: 2666
      functionDepth:   0
      returnType:      void
      argCount:        9
      argTypes:
        - 'N/A'
        - 'N/A'
        - 'N/A'
        - int
        - 'N/A'
        - int
        - int
        - int
        - bool
      constantsTouched: []
      argNames:
        - ''
        - ''
        - ''
        - ''
        - ''
        - ''
        - ''
        - ''
        - ''
      BBCount:         619
      ICount:          3353
      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
        - calloc
        - cos
        - sin
        - sqrt
      functionUses:    3
      BranchProfiles:
        - Branch String:   'src/mcdlutil.cpp:2374,9'
          Branch Sides:    []
      Callsites:
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          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:2217,5'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14allAboutCyclesEv
        - Src:             'src/mcdlutil.cpp:2220,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2220,27'
          Dst:             calloc
        - Src:             'src/mcdlutil.cpp:2221,5'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineBondConnEPNS_12adjustedlistE
        - Src:             'src/mcdlutil.cpp:2234,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule8vaweBondEiPNS_12adjustedlistERiRNSt3__16vectorIiNS4_9allocatorIiEEEE
        - Src:             'src/mcdlutil.cpp:2236,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule13canonizeCycleEiRNSt3__16vectorIiNS1_9allocatorIiEEEE
        - Src:             'src/mcdlutil.cpp:2261,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2261,31'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2261,54'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2261,73'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2261,116'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2262,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2266,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2266,58'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2266,106'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2278,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2284,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2285,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2286,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2284,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2290,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:2298,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:2299,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10bondLengthEi
        - Src:             'src/mcdlutil.cpp:2298,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:2309,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2310,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2315,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10bondLengthEi
        - Src:             'src/mcdlutil.cpp:2322,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2323,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2324,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2325,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2327,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2328,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2332,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2332,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2333,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2333,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2341,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2343,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2343,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2356,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2352,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule4defCERiiiRNSt3__16vectorIiNS2_9allocatorIiEEEES7_RNS3_IS6_NS4_IS6_EEEES7_S7_S7_S7_S7_
        - Src:             'src/mcdlutil.cpp:2353,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule4defAERiiiiRNSt3__16vectorIiNS2_9allocatorIiEEEES6_S7_RNS3_IS6_NS4_IS6_EEEES7_S7_S7_S7_
        - Src:             'src/mcdlutil.cpp:2356,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2359,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2359,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2364,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2365,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2365,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2366,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2366,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2364,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:2377,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2377,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2378,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2378,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2384,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2391,48'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2392,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2394,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2394,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2395,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2395,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2396,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2396,82'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2397,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2397,56'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2397,48'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2398,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2398,56'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2398,48'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2406,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2407,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2412,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule16threeBondResolveEiiRdS1_PNS_12adjustedlistE
        - Src:             'src/mcdlutil.cpp:2423,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2423,68'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2424,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2427,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2443,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2444,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2445,38'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2460,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2460,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2461,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2461,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2471,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2471,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2472,36'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2472,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2476,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2476,66'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2477,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2478,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2478,44'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2479,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2479,44'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2482,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2483,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2485,29'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2485,40'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2486,40'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2491,37'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2491,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2492,37'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2492,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2499,25'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2499,36'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2500,36'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2505,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2505,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2506,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2506,17'
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        - Src:             'src/mcdlutil.cpp:2508,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2509,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2511,28'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2511,39'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2512,39'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2516,37'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2516,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2517,37'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2517,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2528,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2528,50'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2529,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2529,52'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:2530,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2534,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2535,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2536,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2537,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2537,50'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2537,76'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2537,102'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2546,24'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2546,35'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2547,36'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2552,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2552,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2553,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2553,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2560,22'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2560,33'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2561,34'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2568,23'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2569,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2570,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2572,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2573,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2577,50'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2577,68'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2577,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2578,50'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2578,68'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2578,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2589,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule17twoAtomUnitVectorEiiRdS1_NSt3__16vectorIiNS2_9allocatorIiEEEE
        - Src:             'src/mcdlutil.cpp:2591,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2591,37'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2592,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2592,37'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2597,22'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2597,41'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2604,21'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2606,16'
          Dst:             sqrt
        - Src:             'src/mcdlutil.cpp:2608,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2608,37'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2609,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2609,37'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2610,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2611,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2613,22'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2613,44'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2614,44'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2615,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2615,61'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2618,46'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2618,64'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2618,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2619,46'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:2619,64'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:2619,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2631,62'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10bondLengthEi
        - Src:             'src/mcdlutil.cpp:2635,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2636,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2642,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2643,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2644,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2644,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2645,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2645,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2651,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2652,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2653,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2654,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2661,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2661,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2662,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:2662,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
    - functionName:    _ZN9OpenBabel15TEditedMolecule13addAsTemplateERS0_iiiib
      functionSourceFile: '/src/openbabel/src/mcdlutil.cpp'
      linkageType:     externalLinkage
      functionLinenumber: 4215
      functionLinenumberEnd: 4391
      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:4234,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4236,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:4246,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4253,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12makeFragmentERNSt3__16vectorIiNS1_9allocatorIiEEEEii
        - Src:             'src/mcdlutil.cpp:4257,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4258,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4263,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4265,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4266,31'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4266,83'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4266,63'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4267,31'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4267,83'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4267,63'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4274,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4274,81'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4274,61'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4275,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4275,81'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4275,61'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4279,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4281,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4282,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4282,64'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4282,50'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4283,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4283,64'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4283,50'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4290,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4290,62'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4290,48'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4291,23'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4291,62'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4291,48'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4294,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4294,42'
          Dst:             _ZN9OpenBabel15TSimpleMolecule17averageBondLengthEv
        - Src:             'src/mcdlutil.cpp:4298,47'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4298,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4298,105'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4298,85'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4299,47'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4299,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4299,105'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4299,85'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4301,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4301,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4301,83'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4301,69'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4302,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4302,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4302,83'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4302,69'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4308,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4309,24'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4312,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4312,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4312,103'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4312,83'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4313,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4313,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4313,103'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4313,83'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4319,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4319,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4319,81'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4319,67'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4320,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4320,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4320,81'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4320,67'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4323,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10unitVectorEiRdS1_
        - Src:             'src/mcdlutil.cpp:4325,22'
          Dst:             atan
        - Src:             'src/mcdlutil.cpp:4330,15'
          Dst:             cos
        - Src:             'src/mcdlutil.cpp:4331,15'
          Dst:             sin
        - Src:             'src/mcdlutil.cpp:4333,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4334,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4336,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4338,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1104,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1112,11'
          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:1118,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1118,29'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1132,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1133,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1136,13'
          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:1141,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1142,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1142,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1143,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1141,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1142,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1142,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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        - Src:             'src/mcdlutil.cpp:1143,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1174,19'
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1176,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1177,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1177,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1174,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1191,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1192,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1193,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1193,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1194,30'
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1208,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1209,32'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1220,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1221,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1221,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1222,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1222,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:1234,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule20unitVectorCoincidentEidd
        - Src:             'src/mcdlutil.cpp:1240,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule20unitVectorCoincidentEidd
        - Src:             'src/mcdlutil.cpp:1244,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule20unitVectorCoincidentEidd
        - Src:             'src/mcdlutil.cpp:1250,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule20unitVectorCoincidentEidd
        - Src:             'src/mcdlutil.cpp:1260,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
    - functionName:    atan
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      argTypes:
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      argNames:
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      BBCount:         0
      ICount:          0
      EdgeCount:       0
      CyclomaticComplexity: 2
      functionsReached: []
      functionUses:    2
      BranchProfiles:  []
      Callsites:       []
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      functionLinenumberEnd: 4211
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      BBCount:         183
      ICount:          846
      EdgeCount:       185
      CyclomaticComplexity: 4
      functionsReached:
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        - _ZN9OpenBabel11TSingleAtomD2Ev
        - _ZN9OpenBabel11TSingleBondC2Ev
        - _ZN9OpenBabel15TSimpleMolecule10bondLengthEi
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        - _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
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        - _ZN9OpenBabel15TSimpleMolecule6nBondsEv
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        - _ZN9OpenBabel15TSimpleMolecule7addBondEPNS_11TSingleBondE
        - _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - _ZN9OpenBabel15TSimpleMolecule7getBondEi
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:3988,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:3989,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:3990,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:3993,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10bondLengthEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:3998,8'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:3999,8'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4004,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4005,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4006,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4007,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4022,24'
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4023,56'
          Dst:             _ZN9OpenBabel15TSimpleMolecule17averageBondLengthEv
        - Src:             'src/mcdlutil.cpp:4031,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4032,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4035,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4035,38'
          Dst:             _ZN9OpenBabel11TSingleAtom5cloneEv
        - Src:             'src/mcdlutil.cpp:4040,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7addAtomEPNS_11TSingleAtomE
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4046,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4046,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4047,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4047,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4049,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4049,34'
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4050,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:0,0'
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        - Src:             'src/mcdlutil.cpp:0,0'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4062,25'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4068,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4069,18'
          Dst:             _ZN9OpenBabel11TSingleBondC2Ev
        - Src:             'src/mcdlutil.cpp:4072,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4076,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7addBondEPNS_11TSingleBondE
        - Src:             'src/mcdlutil.cpp:4056,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4082,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4083,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4083,38'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4084,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4085,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4085,38'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4086,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4086,38'
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          Dst:             strtol
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          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
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        - Src:             'src/mcdlutil.cpp:4461,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4461,49'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
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          Dst:             calloc
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          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4468,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4469,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4470,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4471,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4472,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4473,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4474,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4475,26'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4477,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4477,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
        - Src:             'src/mcdlutil.cpp:4489,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4490,30'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4491,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4491,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4495,19'
          Dst:             _ZN9OpenBabel15TEditedMoleculeC2Ev
        - Src:             'src/mcdlutil.cpp:4499,5'
          Dst:             _ZN9OpenBabel15TEditedMolecule14removeHydrogenEPNSt3__16vectorIiNS1_9allocatorIiEEEES6_
        - Src:             'src/mcdlutil.cpp:4500,18'
          Dst:             _ZN9OpenBabel15TEditedMolecule14atomBondChangeEv
        - Src:             'src/mcdlutil.cpp:4501,5'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineBondConnEPNS_12adjustedlistE
        - Src:             'src/mcdlutil.cpp:4503,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4503,44'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4503,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4505,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4507,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4511,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4511,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4512,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4512,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4507,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4522,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4540,38'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4565,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4568,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4569,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4570,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4587,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4587,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4593,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:4594,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4595,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4594,45'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4594,87'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4594,72'
          Dst:             _ZN9OpenBabel11TSingleAtom8atomCopyEPS0_
        - Src:             'src/mcdlutil.cpp:4594,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4595,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4598,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4598,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4598,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4599,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4599,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4599,61'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4599,98'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4599,83'
          Dst:             _ZN9OpenBabel11TSingleBond8bondCopyEPS0_
        - Src:             'src/mcdlutil.cpp:4599,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4602,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4602,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4603,65'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4603,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4604,65'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4604,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4602,35'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4607,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule12moleculeCopyERS0_
        - Src:             'src/mcdlutil.cpp:4608,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
        - Src:             'src/mcdlutil.cpp:4610,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4610,34'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4610,19'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4611,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineBondConnEPNS_12adjustedlistE
        - Src:             'src/mcdlutil.cpp:4614,20'
          Dst:             _ZN9OpenBabel15TEditedMolecule16stereoBondChangeEv
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      ICount:          385
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4641,49'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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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:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4647,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:4649,15'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4650,21'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4650,47'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4652,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4653,31'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4655,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4660,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule10deleteAtomEi
        - Src:             'src/mcdlutil.cpp:4661,39'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel16deleteIntElementEPNSt3__16vectorIiNS0_9allocatorIiEEEEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:4679,7'
          Dst:             _ZN9OpenBabel15TSimpleMolecule14defineAtomConnEv
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      ICount:          90
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4721,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:4724,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4724,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4725,13'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4727,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:4727,46'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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        - Src:             'src/mcdlutil.cpp:7006,3'
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      ICount:          123
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:6923,53'
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        - Src:             'src/mcdlutil.cpp:6924,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:6925,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:6926,37'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:6926,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:6927,16'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:6932,14'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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      argNames:
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      BBCount:         86
      ICount:          548
      EdgeCount:       117
      CyclomaticComplexity: 33
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      functionUses:    2
      BranchProfiles:  []
      Callsites:
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        - Src:             'src/mcdlutil.cpp:834,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:835,17'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:835,50'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:845,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:838,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:838,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:838,64'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:839,56'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:839,84'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:838,64'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:845,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:845,64'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:845,64'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:857,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:857,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:858,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:858,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:857,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:857,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:858,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:858,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:857,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:857,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:858,12'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:858,27'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:862,9'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:862,40'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:864,42'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:866,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:866,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:864,42'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:866,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:866,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:867,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:867,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:864,42'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:866,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:866,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:867,18'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:867,33'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:892,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:893,11'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
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        - 'N/A'
        - 'N/A'
        - 'N/A'
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      ICount:          2429
      EdgeCount:       973
      CyclomaticComplexity: 467
      functionsReached:
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        - _ZN9OpenBabel13getAtomSymbolERNS_15TSimpleMoleculeEiiiNSt3__112basic_stringIcNS2_11char_traitsIcEENS2_9allocatorIcEEEE
        - _ZN9OpenBabel13removeZeroethENSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEE
        - _ZN9OpenBabel14bondEquivalentEiiNSt3__16vectorIiNS0_9allocatorIiEEEERNS_15TSimpleMoleculeE
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        - _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - _ZN9OpenBabel15TSimpleMolecule9readOBMolEPNS_5OBMolE
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        - _ZN9OpenBabel15TSimpleMoleculeD2Ev
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        - _ZN9OpenBabel17analizeParityBondENSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEE
        - _ZN9OpenBabel21compareStringsNumbersENSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEES6_
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          Dst:             _ZN9OpenBabel15TSimpleMoleculeC2Ev
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          Dst:             _ZN9OpenBabel15TSimpleMolecule9readOBMolEPNS_5OBMolE
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:6688,38'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6688,20'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
        - Src:             'src/mcdlutil.cpp:6692,27'
          Dst:             _ZN9OpenBabel8intToStrEi
        - Src:             'src/mcdlutil.cpp:6692,10'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getAtomEi
        - Src:             'src/mcdlutil.cpp:6712,19'
          Dst:             _ZN9OpenBabel8intToStrEi
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          Dst:             _ZN9OpenBabel8intToStrEi
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          Dst:             _ZN9OpenBabel8intToStrEi
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        - Src:             'src/mcdlutil.cpp:6748,17'
          Dst:             _ZN9OpenBabel13getAtomSymbolERNS_15TSimpleMoleculeEiiiNSt3__112basic_stringIcNS2_11char_traitsIcEENS2_9allocatorIcEEEE
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          Dst:             _ZN9OpenBabel8intToStrEi
        - Src:             'src/mcdlutil.cpp:6755,17'
          Dst:             _ZN9OpenBabel13getAtomSymbolERNS_15TSimpleMoleculeEiiiNSt3__112basic_stringIcNS2_11char_traitsIcEENS2_9allocatorIcEEEE
        - Src:             'src/mcdlutil.cpp:6757,32'
          Dst:             _ZN9OpenBabel8intToStrEi
        - Src:             'src/mcdlutil.cpp:6758,17'
          Dst:             _ZN9OpenBabel13getAtomSymbolERNS_15TSimpleMoleculeEiiiNSt3__112basic_stringIcNS2_11char_traitsIcEENS2_9allocatorIcEEEE
        - Src:             'src/mcdlutil.cpp:6767,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:6768,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:6769,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:6773,21'
          Dst:             _ZN9OpenBabel13getAtomSymbolERNS_15TSimpleMoleculeEi
        - Src:             'src/mcdlutil.cpp:6767,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:6784,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:6785,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:6786,22'
          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
        - Src:             'src/mcdlutil.cpp:6790,21'
          Dst:             _ZN9OpenBabel13getAtomSymbolERNS_15TSimpleMoleculeEi
        - Src:             'src/mcdlutil.cpp:6784,28'
          Dst:             _ZN9OpenBabel15TSimpleMolecule6nBondsEv
        - Src:             'src/mcdlutil.cpp:6809,15'
          Dst:             _ZN9OpenBabel8sproductERNS_15TSimpleMoleculeEiii
        - Src:             'src/mcdlutil.cpp:6845,53'
          Dst:             _ZN9OpenBabel14bondEquivalentEiiNSt3__16vectorIiNS0_9allocatorIiEEEERNS_15TSimpleMoleculeE
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          Dst:             _ZN9OpenBabel17analizeParityBondENSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEE
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          Dst:             _ZN9OpenBabel14bondEquivalentEiiNSt3__16vectorIiNS0_9allocatorIiEEEERNS_15TSimpleMoleculeE
        - Src:             'src/mcdlutil.cpp:6853,21'
          Dst:             _ZN9OpenBabel17analizeParityBondENSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEE
        - Src:             'src/mcdlutil.cpp:6856,21'
          Dst:             _ZN9OpenBabel21compareStringsNumbersENSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEES6_
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          Dst:             _ZN9OpenBabel17analizeParityBondENSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEE
        - Src:             'src/mcdlutil.cpp:6862,20'
          Dst:             _ZN9OpenBabel16changeParityBondENSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEE
        - Src:             'src/mcdlutil.cpp:6864,59'
          Dst:             _ZN9OpenBabel14bondEquivalentEiiNSt3__16vectorIiNS0_9allocatorIiEEEERNS_15TSimpleMoleculeE
        - Src:             'src/mcdlutil.cpp:6866,24'
          Dst:             _ZN9OpenBabel16changeParityBondENSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEE
        - Src:             'src/mcdlutil.cpp:6872,55'
          Dst:             _ZN9OpenBabel14bondEquivalentEiiNSt3__16vectorIiNS0_9allocatorIiEEEERNS_15TSimpleMoleculeE
        - Src:             'src/mcdlutil.cpp:6880,15'
          Dst:             _ZN9OpenBabel21compareStringsNumbersENSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEES6_
        - Src:             'src/mcdlutil.cpp:6889,16'
          Dst:             _ZN9OpenBabel7indexOfENSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEES6_i
        - Src:             'src/mcdlutil.cpp:6890,13'
          Dst:             _ZN9OpenBabel7indexOfENSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEES6_i
        - Src:             'src/mcdlutil.cpp:6893,16'
          Dst:             _ZN9OpenBabel7indexOfENSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEES6_i
        - Src:             'src/mcdlutil.cpp:6894,13'
          Dst:             _ZN9OpenBabel7indexOfENSt3__112basic_stringIcNS0_11char_traitsIcEENS0_9allocatorIcEEEES6_i
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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel11TSingleAtom9allAtAtomEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule7getBondEi
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          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
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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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          Dst:             _ZN9OpenBabel15TSimpleMolecule6nAtomsEv
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          Dst:             _ZN9OpenBabel15TSimpleMolecule10listarSizeEv
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          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
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          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
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          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
        - Src:             'src/parsmart.cpp:2234,52'
          Dst:             _ZNK9OpenBabel6OBBond10IsAromaticEv
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          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
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          Dst:             _ZNK9OpenBabel6OBBond12GetBondOrderEv
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          Dst:             _ZNK9OpenBabel6OBBond8IsInRingEv
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      Callsites:
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          Dst:             _ZNK9OpenBabel8OBBitVecixEi
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      functionsReached:
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          Dst:             _ZN9OpenBabel15OBSmartsMatcherD2Ev
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          Dst:             _ZN9OpenBabel15OBSmartsMatcherD2Ev
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      functionsReached:
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        - Src:             'src/parsmart.cpp:1788,7'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
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          Dst:             _ZN9OpenBabel8OBBitVec10FromVecIntERKNSt3__16vectorIiNS1_9allocatorIiEEEE
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZN9OpenBabel8OBBitVecD2Ev
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          Dst:             _ZN9OpenBabel15OBSmartsMatcherD2Ev
        - Src:             'src/parsmart.cpp:1821,3'
          Dst:             _ZN9OpenBabel15OBSmartsMatcherD2Ev
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      functionsReached:
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      BranchProfiles:  []
      Callsites:
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          Dst:             _ZN9OpenBabel15OBSmartsMatcherC2Ev
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          Dst:             _ZN9OpenBabel5OBMolC2ERKS0_
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          Dst:             _ZN9OpenBabel5OBMol12AddHydrogensEbbd
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          Dst:             _ZN9OpenBabel15OBSmartsMatcher5matchERNS_5OBMolEPKNS_7PatternERNSt3__16vectorINS7_IiNS6_9allocatorIiEEEENS8_ISA_EEEEb
        - Src:             'src/parsmart.cpp:1763,7'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
        - Src:             'src/parsmart.cpp:1763,7'
          Dst:             _ZN9OpenBabel5OBMolD2Ev
        - Src:             'src/parsmart.cpp:1764,20'
          Dst:             _ZN9OpenBabel15OBSmartsMatcher5matchERNS_5OBMolEPKNS_7PatternERNSt3__16vectorINS7_IiNS6_9allocatorIiEEEENS8_ISA_EEEEb
        - Src:             'src/parsmart.cpp:1765,3'
          Dst:             _ZN9OpenBabel15OBSmartsMatcherD2Ev
        - Src:             'src/parsmart.cpp:1765,3'
          Dst:             _ZN9OpenBabel15OBSmartsMatcherD2Ev
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      functionsReached:
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      BranchProfiles:  []
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...
