Report generation date: 2025-06-13

Project overview: rdkit

High level conclusions

Fuzzers reach 3.400% of cyclomatic complexity.

"No files with coverage data was found. This is either because an error occurred when compiling and running coverage runs, or because the introspector run was intentionally done without coverage collection. In order to get optimal results coverage data is needed.

Reachability and coverage overview

Functions statically reachable by fuzzers

172 / 18333

Cyclomatic complexity statically reachable by fuzzers

1562 / 45933

Runtime code coverage of functions

0 / 18333

Fuzzers overview

Fuzzer	Fuzzer filename	Functions Reached	Functions unreached	Fuzzer depth	Files reached	Cyclomatic complexity	Details
rdkit/Code/Fuzz/mol_data_stream_to_mol_fuzzer.cc	rdkit/Code/Fuzz/mol_data_stream_to_mol_fuzzer.cc	8	18329	4	3	2	mol_data_stream_to_mol_fuzzer.cc
rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc	rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc	711	18165	57	138	1563	smiles_string_to_mol_fuzzer.cc
rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc	rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc	19	18327	44	132	2	mol_deserialization_fuzzer.cc

Project functions overview

The following table shows data about each function in the project. The functions included in this table correspond to all functions that exist in the executables of the fuzzers. As such, there may be functions that are from third-party libraries.

For further technical details on the meaning of columns in the below table, please see the Glossary .

Func name	Functions filename	Args	Function call depth	Reached by Fuzzers	Fuzzers runtime hit	Func lines hit %	I Count	BB Count	Cyclomatic complexity	Functions reached	Reached by functions	Accumulated cyclomatic complexity	Undiscovered complexity

Fuzzer details

Fuzzer: rdkit/Code/Fuzz/mol_data_stream_to_mol_fuzzer.cc

Call tree

The calltree shows the control flow of the fuzzer. This is overlaid with coverage information to display how much of the potential code a fuzzer can reach is in fact covered at runtime. In the following there is a link to a detailed calltree visualisation as well as a bitmap showing a high-level view of the calltree. For further information about these topics please see the glossary for full calltree and calltree overview

Full calltree

Call tree overview bitmap:

The project has no code coverage. Will not display blockers as blockers depend on code coverage.

Fuzzer: rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc

Call tree

Full calltree

Call tree overview bitmap:

The project has no code coverage. Will not display blockers as blockers depend on code coverage.

Fuzzer: rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc

Call tree

Full calltree

Call tree overview bitmap:

The project has no code coverage. Will not display blockers as blockers depend on code coverage.

Analyses and suggestions

Optimal target analysis

Remaining optimal interesting functions

The following table shows a list of functions that are optimal targets. Optimal targets are identified by finding the functions that in combination, yield a high code coverage.

Func name	Functions filename	Arg count	Args	Function depth	hitcount	instr count	bb count	cyclomatic complexity	Reachable functions	Incoming references	total cyclomatic complexity	Unreached complexity

Implementing fuzzers that target the above functions will improve reachability such that it becomes:

Functions statically reachable by fuzzers

172 / 18333

Cyclomatic complexity statically reachable by fuzzers

1562 / 45933

All functions overview

If you implement fuzzers for these functions, the status of all functions in the project will be:

Func name	Functions filename	Args	Function call depth	Reached by Fuzzers	Fuzzers runtime hit	Func lines hit %	I Count	BB Count	Cyclomatic complexity	Functions reached	Reached by functions	Accumulated cyclomatic complexity	Undiscovered complexity

Fuzz engine guidance

This sections provides heuristics that can be used as input to a fuzz engine when running a given fuzz target. The current focus is on providing input that is usable by libFuzzer.

rdkit/Code/Fuzz/mol_data_stream_to_mol_fuzzer.cc

Dictionary

Use this with the libFuzzer -dict=DICT.file flag

rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc

Dictionary

Use this with the libFuzzer -dict=DICT.file flag

rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc

Dictionary

Use this with the libFuzzer -dict=DICT.file flag

Runtime coverage analysis

No runtime coverage data was found

Fuzz driver synthesis

New fuzzers

The below fuzzers are templates and suggestions for how to target the set of optimal functions above

Files and Directories in report

This section shows which files and directories are considered in this report. The main reason for showing this is fuzz introspector may include more code in the reasoning than is desired. This section helps identify if too many files/directories are included, e.g. third party code, which may be irrelevant for the threat model. In the event too much is included, fuzz introspector supports a configuration file that can exclude data from the report. See the following link for more information on how to create a config file: link

Files in report

Source file	Reached by	Covered by
/src/eigen/bench/btl/actions/action_aat_product.hh	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h	[]	[]
/src/rdkit/Code/ForceField/UFF/TorsionAngle.h	[]	[]
/src/rdkit/Code/GraphMol/Wrap/StereoGroup.cpp	[]	[]
/src/rdkit/Code/GraphMol/RascalMCES/RascalButinaCluster.cpp	[]	[]
/src/eigen/test/metis_support.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/rules/Rule5.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorContractionMapper.h	[]	[]
/src/rdkit/Code/GraphMol/SubstanceGroup.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/bench/btl/libs/blaze/blaze_interface.hh	[]	[]
/src/rdkit/Code/Numerics/Optimizer/testOptimizer.cpp	[]	[]
/src/rdkit/Code/Catalogs/CatalogEntry.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/RDKitSVMainWindow.cc	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/test/product_small.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/Enumerate/Enumerate.h	[]	[]
/src/rdkit/Code/GraphMol/StructChecker/AtomSymbolMatch.cpp	[]	[]
/src/eigen/Eigen/src/Eigenvalues/ComplexEigenSolver.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawTextFTJS.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/testEEM.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/Tensor.h	[]	[]
/src/eigen/test/product_syrk.cpp	[]	[]
/src/eigen/Eigen/src/Core/Product.h	[]	[]
/src/rdkit/Code/Geometry/Wrap/Point.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/ReactionUtils.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/External/CoordGen/test.cpp	[]	[]
/src/eigen/Eigen/src/IterativeLinearSolvers/BasicPreconditioners.h	[]	[]
/src/rdkit/External/AvalonTools/test1.cpp	[]	[]
/src/rdkit/Code/Demos/RDKit/Draw/qtDemo/qtdraw_demo.cc	[]	[]
/src/eigen/Eigen/src/IterativeLinearSolvers/IncompleteLUT.h	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp	[]	[]
/src/rdkit/Code/ChemicalFeatures/ChemicalFeature.h	[]	[]
/src/eigen/blas/f2c/chpmv.c	[]	[]
/src/eigen/test/product_selfadjoint.cpp	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseMap.h	[]	[]
/src/rdkit/Code/ForceField/AngleConstraint.h	[]	[]
/src/eigen/Eigen/src/QR/CompleteOrthogonalDecomposition.h	[]	[]
/src/eigen/unsupported/Eigen/src/IterativeSolvers/BiCGSTABL.h	[]	[]
/src/eigen/unsupported/Eigen/src/BVH/KdBVH.h	[]	[]
/src/rdkit/Code/GraphMol/FMCS/FMCS.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/MHFP.h	[]	[]
/src/rdkit/Code/GraphMol/Wrap/MultithreadedMolSupplier.h	[]	[]
/src/rdkit/Code/GraphMol/TautomerQuery/Wrap/rdTautomerQuery.cpp	[]	[]
/src/eigen/test/qtvector.cpp	[]	[]
/src/rdkit/Code/GraphMol/WedgeBonds.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/test/fft_test_shared.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/MultithreadedMolSupplier.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolInterchange/Parser.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_reduction.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorExpr.h	[]	[]
/src/rdkit/Code/GraphMol/Bond.h	[]	[]
/src/eigen/Eigen/src/Core/arch/SVE/PacketMath.h	[]	[]
/src/eigen/Eigen/src/Geometry/Umeyama.h	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.cpp	[]	[]
/src/eigen/Eigen/src/IterativeLinearSolvers/LeastSquareConjugateGradient.h	[]	[]
/src/rdkit/External/GA/util/RandomUtil.h	[]	[]
/src/eigen/test/svd_common.h	[]	[]
/src/eigen/test/array_replicate.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/LevenbergMarquardt/LevenbergMarquardt.h	[]	[]
/src/eigen/bench/btl/libs/BLAS/blas_interface_impl.hh	[]	[]
/src/eigen/Eigen/src/Core/products/SelfadjointRank2Update.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/MolStandardize.h	[]	[]
/src/rdkit/Code/RDBoost/PySequenceHolder.h	[]	[]
/src/rdkit/Code/GraphMol/ScaffoldNetwork/Wrap/rdScaffoldNetwork.cpp	[]	[]
/src/eigen/Eigen/src/Core/products/GeneralMatrixVector.h	[]	[]
/src/eigen/Eigen/src/Geometry/RotationBase.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_block_access.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/testSquiggleDoubleBonds.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/MQN.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Tautomer.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/Property.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/SmilesWriter.cpp	[]	[]
/src/eigen/test/geo_parametrizedline.cpp	[]	[]
/src/eigen/bench/spbench/spbenchsolver.h	[]	[]
/src/rdkit/Code/DataStructs/testMultiFPB.cpp	[]	[]
/src/rdkit/Code/GraphMol/Basement/FeatTrees/FeatTree.cpp	[]	[]
/src/eigen/Eigen/src/Core/Block.h	[]	[]
/src/eigen/Eigen/src/Geometry/Translation.h	[]	[]
/src/eigen/bench/quat_slerp.cpp	[]	[]
/src/rdkit/External/pubchem_shape/PubChemShape.hpp	[]	[]
/src/rdkit/Code/GraphMol/Trajectory/Snapshot.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_of_complex.cpp	[]	[]
/src/rdkit/Contrib/PBF/PBFRDKit.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/RDKitFPGenerator.h	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/Edge.cpp	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h	[]	[]
/src/eigen/test/umeyama.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/RingInfo.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/test/EulerAngles.cpp	[]	[]
/src/eigen/Eigen/src/Core/BandMatrix.h	[]	[]
/src/rdkit/Code/Demos/boost/EBV_err/classC.h	[]	[]
/src/eigen/Eigen/src/Core/arch/NEON/GeneralBlockPanelKernel.h	[]	[]
/src/rdkit/Code/RDGeneral/LocaleSwitcher.cpp	[]	[]
/src/eigen/test/product_mmtr.cpp	[]	[]
/src/rdkit/External/GA/util/Util.h	[]	[]
/src/rdkit/Code/GraphMol/Wrap/PDBWriter.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp	[]	[]
/src/eigen/test/inverse.cpp	[]	[]
/src/rdkit/Code/GraphMol/FragCatalog/Wrap/FragCatParams.cpp	[]	[]
/src/eigen/Eigen/src/Core/util/Macros.h	[]	[]
/src/rdkit/Code/Numerics/Conrec.h	[]	[]
/src/eigen/test/product_extra.cpp	[]	[]
/src/rdkit/Code/GraphMol/Depictor/DepictUtils.h	[]	[]
/src/eigen/test/integer_types.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/testRDFcustom.cpp	[]	[]
/src/rdkit/Code/GraphMol/MarvinParse/MarvinWriter.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/macromols_catch.cpp	[]	[]
/src/eigen/test/random_without_cast_overflow.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/DataStructs/DiscreteDistMat.cpp	[]	[]
/src/eigen/Eigen/src/CholmodSupport/CholmodSupport.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorReductionSycl.h	[]	[]
/src/eigen/test/special_numbers.cpp	[]	[]
/src/rdkit/Code/GraphMol/MMPA/MMPA.cpp	[]	[]
/src/eigen/blas/level2_impl.h	[]	[]
/src/rdkit/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp	[]	[]
/src/eigen/Eigen/src/Core/Replicate.h	[]	[]
/src/rdkit/Code/RDGeneral/LocaleSwitcher.h	[]	[]
/src/eigen/test/geo_transformations.cpp	[]	[]
/src/eigen/test/smallvectors.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/Bond.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/Eigen/src/Core/CwiseTernaryOp.h	[]	[]
/src/rdkit/Code/Demos/boost/overloads/overloads.cpp	[]	[]
/src/rdkit/Code/GraphMol/StructChecker/Wrap/structchecker.cpp	[]	[]
/src/eigen/Eigen/src/Core/util/MaxSizeVector.h	[]	[]
/src/eigen/Eigen/src/Core/arch/MSA/MathFunctions.h	[]	[]
/src/eigen/test/upperbidiagonalization.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/MolSupplier.v1API.h	[]	[]
/src/eigen/test/product_trmm.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Pipeline.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorContractionThreadPool.h	[]	[]
/src/rdkit/External/GA/ga/IntegerStringChromosomePolicy.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/testCharge.cpp	[]	[]
/src/eigen/demos/opengl/camera.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_ref.cpp	[]	[]
/src/eigen/Eigen/src/Core/util/MoreMeta.h	[]	[]
/src/eigen/unsupported/test/matrix_square_root.cpp	[]	[]
/src/eigen/Eigen/src/misc/Image.h	[]	[]
/src/eigen/Eigen/src/Core/DenseStorage.h	[]	[]
/src/rdkit/Code/DataStructs/DiscreteValueVect.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc']	[]
/src/eigen/test/random_matrix_helper.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/CDXMLParser.h	[]	[]
/src/rdkit/Code/GraphMol/Wrap/ContextManagers.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DHelpers.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorPatch.h	[]	[]
/src/rdkit/External/FreeSASA/freesasa2.c	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/testPipeline.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorReductionGpu.h	[]	[]
/src/rdkit/Code/GraphMol/StructChecker/Stereo.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h	[]	[]
/src/eigen/test/symbolic_index.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/MolData3Ddescriptors.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SearchResults.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/QT4SelectItems.cc	[]	[]
/src/eigen/Eigen/src/Core/products/Parallelizer.h	[]	[]
/src/eigen/Eigen/src/ThreadPool/RunQueue.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/MaeWriter.cpp	[]	[]
/src/rdkit/Code/GraphMol/FMCS/Composition2N.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/Eigen/src/Cholesky/LLT_LAPACKE.h	[]	[]
/src/eigen/demos/opengl/icosphere.cpp	[]	[]
/src/eigen/lapack/second_INT_CPU_TIME.cpp	[]	[]
/src/eigen/Eigen/src/Core/functors/BinaryFunctors.h	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/Enumerate/RandomSample.h	[]	[]
/src/rdkit/Code/GraphMol/Substruct/vf2.hpp	[]	[]
/src/eigen/unsupported/Eigen/src/NonLinearOptimization/LevenbergMarquardt.h	[]	[]
/src/eigen/blas/f2c/srotmg.c	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/testRGroupInternals.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/MonomerInfo.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_trace.cpp	[]	[]
/src/eigen/bench/sparse_setter.cpp	[]	[]
/src/rdkit/Code/DataStructs/SparseIntVect.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/test/cxx11_tensor_roll.cpp	[]	[]
/src/rdkit/Code/DistGeom/TriangleSmooth.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorMeta.h	[]	[]
/src/rdkit/Code/GraphMol/FMCS/SubstructMatchCustom.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorDevice.h	[]	[]
/src/rdkit/Code/ForceField/UFF/TorsionAngle.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/MolFileStereochem.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorBlock.h	[]	[]
/src/eigen/blas/f2c/ssbmv.c	[]	[]
/src/rdkit/External/AvalonTools/Wrap/pyAvalonTools.cpp	[]	[]
/src/rdkit/Code/GraphMol/Substruct/SubstructUtils.cpp	[]	[]
/src/rdkit/Code/GraphMol/ShapeHelpers/ShapeUtils.cpp	[]	[]
/src/eigen/bench/benchEigenSolver.cpp	[]	[]
/src/eigen/bench/sparse_randomsetter.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/CIPMol.cpp	[]	[]
/src/rdkit/Code/GraphMol/EnumerateStereoisomers/Wrap/rdEnumerateStereoisomers.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/SpecialFunctions/arch/GPU/SpecialFunctions.h	[]	[]
/src/rdkit/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h	[]	[]
/src/eigen/unsupported/Eigen/src/BVH/BVAlgorithms.h	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupDecomp.h	[]	[]
/src/eigen/test/lu.cpp	[]	[]
/src/eigen/Eigen/src/Core/util/Memory.h	[]	[]
/src/rdkit/External/FreeSASA/RDFreeSASA.cpp	[]	[]
/src/eigen/Eigen/src/IterativeLinearSolvers/SolveWithGuess.h	[]	[]
/src/rdkit/Code/GraphMol/Kekulize.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp	[]	[]
/src/rdkit/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp	[]	[]
/src/rdkit/Code/GraphMol/Subgraphs/test1.cpp	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseBlock.h	[]	[]
/src/eigen/Eigen/src/Core/Redux.h	[]	[]
/src/rdkit/Code/GraphMol/MolProps.cpp	[]	[]
/src/rdkit/External/GA/ga/StringChromosome.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeatureFactory.cpp	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/FFConvenience.h	[]	[]
/src/rdkit/Code/GraphMol/Basement/FeatTrees/FeatTreeUtils.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolPickler.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/test/NumericalDiff.cpp	[]	[]
/src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_volume_patch_sycl.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawText.h	[]	[]
/src/rdkit/Code/RDGeneral/Invariant.cpp	[]	[]
/src/rdkit/Code/GraphMol/PartialCharges/Wrap/rdPartialCharges.cpp	[]	[]
/src/rdkit/Code/ForceField/UFF/Params.cpp	[]	[]
/src/rdkit/Code/GraphMol/FilterCatalog/FilterCatalog.h	[]	[]
/src/eigen/Eigen/src/Core/util/ReshapedHelper.h	[]	[]
/src/rdkit/Code/DataStructs/Wrap/DiscreteValueVect.cpp	[]	[]
/src/eigen/test/io.cpp	[]	[]
/src/eigen/test/real_qz.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/WHIM.cpp	[]	[]
/src/eigen/demos/opengl/icosphere.h	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/rules/Rules.h	[]	[]
/src/eigen/unsupported/Eigen/src/NumericalDiff/NumericalDiff.h	[]	[]
/src/eigen/Eigen/src/SparseLU/SparseLU_copy_to_ucol.h	[]	[]
/src/eigen/bench/btl/actions/action_hessenberg.hh	[]	[]
/src/eigen/unsupported/test/alignedvector3.cpp	[]	[]
/src/eigen/bench/tensors/tensor_contract_sycl_bench.cc	[]	[]
/src/rdkit/Code/DataStructs/Wrap/wrap_FPB.cpp	[]	[]
/src/eigen/Eigen/src/Core/NumTraits.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/Eigen/src/LevenbergMarquardt/LMcovar.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorEvaluator.h	[]	[]
/src/rdkit/Code/JavaWrappers/MorganFingerprints.h	[]	[]
/src/eigen/failtest/sparse_ref_5.cpp	[]	[]
/src/eigen/test/threads_eventcount.cpp	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseFuzzy.h	[]	[]
/src/eigen/test/accelerate_support.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/SparseExtra/MarketIO.h	[]	[]
/src/eigen/Eigen/src/Core/RandomImpl.h	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseSolverBase.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_index_list.cpp	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/UFF.h	[]	[]
/src/eigen/test/triangular.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_fixed_size.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Fragment.h	[]	[]
/src/eigen/Eigen/src/Core/MathFunctions.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/Eigen/src/Core/util/XprHelper.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/testAtropisomers.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.h	[]	[]
/src/rdkit/Code/ForceField/UFF/Params.h	[]	[]
/src/eigen/unsupported/test/special_packetmath.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/MorganFingerprints.cpp	[]	[]
/src/rdkit/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp	[]	[]
/src/rdkit/Code/DataStructs/Utils.cpp	[]	[]
/src/eigen/Eigen/src/AccelerateSupport/AccelerateSupport.h	[]	[]
/src/eigen/unsupported/test/dgmres.cpp	[]	[]
/src/rdkit/Code/ForceField/DistanceConstraints.h	[]	[]
/src/rdkit/Code/ForceField/TorsionConstraint.cpp	[]	[]
/src/rdkit/Code/RDBoost/Wrap.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/StructChecker/Stereo.h	[]	[]
/src/rdkit/Code/MinimalLib/cffiwrapper.cpp	[]	[]
/src/rdkit/Code/GraphMol/StructChecker/StructChecker.cpp	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h	[]	[]
/src/eigen/Eigen/src/SparseCore/SparsePermutation.h	[]	[]
/src/eigen/blas/f2c/ctbmv.c	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Wrap/Pipeline.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorBase.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_uint128.cpp	[]	[]
/src/eigen/bench/benchFFT.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorPadding.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/GETAWAY.cpp	[]	[]
/src/rdkit/Code/GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.h	[]	[]
/src/rdkit/Code/GraphMol/hanoitest.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawAnnotation.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.cpp	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseColEtree.h	[]	[]
/src/rdkit/Code/GraphMol/Substruct/catch_tests.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/MolSurf.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/FFT/imklfft_impl.h	[]	[]
/src/rdkit/Code/DataStructs/Wrap/DataStructs.cpp	[]	[]
/src/eigen/Eigen/src/SVD/BDCSVD_LAPACKE.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawShape.h	[]	[]
/src/eigen/Eigen/src/Eigenvalues/GeneralizedSelfAdjointEigenSolver.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/test1.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemTransforms/MolFragmenterJSONParser.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolAlign/O3AAlignMolecules.h	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupScore.h	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h	[]	[]
/src/rdkit/Code/SimDivPickers/LeaderPicker.h	[]	[]
/src/eigen/unsupported/test/matrix_power.cpp	[]	[]
/src/eigen/Eigen/src/Core/ArrayBase.h	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/Reaction.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/FileParsers/ProximityBonds.cpp	[]	[]
/src/eigen/test/dontalign.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorStriding.h	[]	[]
/src/rdkit/Code/DistGeom/DistGeomUtils.h	[]	[]
/src/eigen/test/schur_complex.cpp	[]	[]
/src/eigen/test/jacobisvd.cpp	[]	[]
/src/eigen/test/cholesky.cpp	[]	[]
/src/rdkit/Code/GraphMol/Conformer.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/test/visitor.cpp	[]	[]
/src/eigen/doc/examples/class_VectorBlock.cpp	[]	[]
/src/eigen/Eigen/src/SparseQR/SparseQR.h	[]	[]
/src/eigen/test/incomplete_cholesky.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SearchResults.h	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp	[]	[]
/src/eigen/unsupported/test/openglsupport.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/PartialCharges/GasteigerParams.h	[]	[]
/src/rdkit/Code/RDGeneral/types.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/NEON/MathFunctions.h	[]	[]
/src/rdkit/Code/GraphMol/MolChemicalFeatures/Wrap/rdMolChemicalFeatures.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/FileWriters.h	[]	[]
/src/eigen/Eigen/src/QR/ColPivHouseholderQR.h	[]	[]
/src/rdkit/Code/RDBoost/Wrap/RDBase.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixSquareRoot.h	[]	[]
/src/eigen/bench/perf_monitoring/llt.cpp	[]	[]
/src/rdkit/Code/GraphMol/FMCS/DebugTrace.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/SmilesWriter.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/rascal_search_catch_tests.cpp	[]	[]
/src/eigen/bench/perf_monitoring/trmv_lo.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/MatrixFunctions/StemFunction.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/Property.h	[]	[]
/src/eigen/demos/opengl/trackball.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_builtins_sycl.cpp	[]	[]
/src/rdkit/Code/GraphMol/StructChecker/ReCharge.cpp	[]	[]
/src/eigen/failtest/block_nonconst_ctor_on_const_xpr_2.cpp	[]	[]
/src/eigen/bench/btl/libs/gmm/gmm_LU_solve_interface.hh	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_chipping_sycl.cpp	[]	[]
/src/rdkit/Code/GraphMol/test_fixtures.h	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/SanitizeRxn.h	[]	[]
/src/eigen/Eigen/src/ThreadPool/ThreadPoolInterface.h	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/Synthon.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawText.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/LevenbergMarquardt/LMonestep.h	[]	[]
/src/rdkit/Code/RDGeneral/testConcurrentQueue.cpp	[]	[]
/src/rdkit/Code/GraphMol/ReducedGraphs/Wrap/rdReducedGraphs.cpp	[]	[]
/src/eigen/bench/perf_monitoring/lazy_gemm.cpp	[]	[]
/src/rdkit/Code/GraphMol/RingInfo.h	[]	[]
/src/rdkit/Code/GraphMol/MolInteractionFields/Wrap/rdMIF.cpp	[]	[]
/src/eigen/Eigen/src/Core/Reshaped.h	[]	[]
/src/rdkit/Code/DataStructs/testFPB.cpp	[]	[]
/src/rdkit/Code/Geometry/point.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/RDGeneral/testRDValue.cpp	[]	[]
/src/rdkit/Code/GraphMol/SmilesParse/test.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/AltiVec/PacketMath.h	[]	[]
/src/eigen/Eigen/src/Core/arch/AltiVec/TypeCasting.h	[]	[]
/src/rdkit/Code/ForceField/MMFF/Params.h	[]	[]
/src/eigen/doc/snippets/Slicing_custom_padding_cxx11.cpp	[]	[]
/src/rdkit/Code/ML/InfoTheory/InfoBitRanker.h	[]	[]
/src/eigen/test/corners.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/Trajectory.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/Data3Ddescriptors.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_morphing_sycl.cpp	[]	[]
/src/eigen/unsupported/doc/examples/FFT.cpp	[]	[]
/src/eigen/bench/analyze-blocking-sizes.cpp	[]	[]
/src/eigen/Eigen/src/IterativeLinearSolvers/IterativeSolverBase.h	[]	[]
/src/rdkit/Code/GraphMol/FMCS/SeedSet.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/RDGeneral/utils.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorStorage.h	[]	[]
/src/eigen/blas/double.cpp	[]	[]
/src/rdkit/Code/Demos/sqlite/rdk_funcs.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/MolSGroupParsing.h	[]	[]
/src/rdkit/Code/ForceField/UFF/Inversion.h	[]	[]
/src/eigen/bench/btl/libs/gmm/gmm_interface.hh	[]	[]
/src/eigen/bench/btl/actions/action_axpy.hh	[]	[]
/src/eigen/Eigen/src/Core/products/SelfadjointMatrixVector.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/FileParsers/MolSGroupParsing.cpp	[]	[]
/src/eigen/test/packet_segment.cpp	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseRedux.h	[]	[]
/src/eigen/Eigen/src/Core/ArithmeticSequence.h	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/Wrap/rdSynthonSpaceSearch.cpp	[]	[]
/src/rdkit/Code/ForceField/TorsionConstraint.h	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseSparseProductWithPruning.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorDeviceSycl.h	[]	[]
/src/eigen/Eigen/src/StlSupport/details.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/RDF.cpp	[]	[]
/src/eigen/test/gpu_common.h	[]	[]
/src/rdkit/Code/GraphMol/ChemTransforms/MolFragmenter.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/SmilesParse/SmartsWrite.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseAssign.h	[]	[]
/src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixPower.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/PDBParser.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Wrap/Normalize.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.cpp	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseDenseProduct.h	[]	[]
/src/rdkit/Code/GraphMol/Wrap/substructmethods.h	[]	[]
/src/eigen/Eigen/src/Eigenvalues/Tridiagonalization.h	[]	[]
/src/rdkit/Code/GraphMol/RascalMCES/RascalResult.h	[]	[]
/src/rdkit/External/INCHI-API/inchi.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/test/indexed_view.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/ChemReactions/ReactionFingerprints.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/CIPLabeler/Sort.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/SpecialFunctions/SpecialFunctionsHalf.h	[]	[]
/src/eigen/test/initializer_list_construction.cpp	[]	[]
/src/eigen/Eigen/src/Core/GenericPacketMath.h	[]	[]
/src/rdkit/Code/DistGeom/DistViolationContribs.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorDeviceThreadPool.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/ChemReactions/catch_tests.cpp	[]	[]
/src/eigen/Eigen/src/LU/Determinant.h	[]	[]
/src/rdkit/Code/RDGeneral/Invariant.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorDimensionList.h	[]	[]
/src/eigen/Eigen/src/SVD/BDCSVD.h	[]	[]
/src/rdkit/Code/RDGeneral/RDValue-taggedunion.h	[]	[]
/src/rdkit/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/Data3Ddescriptors.h	[]	[]
/src/rdkit/Code/GraphMol/Wrap/Queries.cpp	[]	[]
/src/eigen/Eigen/src/LU/PartialPivLU_LAPACKE.h	[]	[]
/src/rdkit/Code/GraphMol/FMCS/testFMCS_Unit.cpp	[]	[]
/src/eigen/test/array_reverse.cpp	[]	[]
/src/eigen/Eigen/src/Core/Array.h	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/Enumerate/CartesianProduct.h	[]	[]
/src/eigen/test/incomplete_LUT.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorScan.h	[]	[]
/src/rdkit/Code/PgSQL/rdkit/rdkit_io.c	[]	[]
/src/rdkit/Code/GraphMol/FragCatalog/FragFPGenerator.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorUInt128.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_layout_swap.cpp	[]	[]
/src/rdkit/External/GA/util/RandomUtil.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/Eigen/src/Core/DenseCoeffsBase.h	[]	[]
/src/rdkit/Code/GraphMol/Wrap/TDTMolSupplier.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseSelfAdjointView.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_patch_sycl.cpp	[]	[]
/src/eigen/Eigen/src/Core/MapBase.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/EEM.cpp	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp	[]	[]
/src/eigen/test/sparse_solver.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/MolWriters.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/SDMolSupplier.cpp	[]	[]
/src/eigen/Eigen/src/Core/VectorBlock.h	[]	[]
/src/eigen/Eigen/src/Core/products/TriangularSolverMatrix.h	[]	[]
/src/eigen/Eigen/src/QR/FullPivHouseholderQR.h	[]	[]
/src/rdkit/Code/ForceField/UFF/AngleBend.cpp	[]	[]
/src/rdkit/Code/PgSQL/rdkit/guc.c	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/BondIterators.h	[]	[]
/src/eigen/unsupported/Eigen/src/SparseExtra/RandomSetter.h	[]	[]
/src/eigen/Eigen/src/Core/CwiseNullaryOp.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/bench/btl/data/smooth.cxx	[]	[]
/src/rdkit/Code/GraphMol/MolAlign/AlignMolecules.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/Lipinski.cpp	[]	[]
/src/rdkit/Code/Numerics/Alignment/testAlignment.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/PMI.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Charge.h	[]	[]
/src/rdkit/Code/GraphMol/TautomerQuery/TautomerQuery.h	[]	[]
/src/eigen/unsupported/Eigen/src/NonLinearOptimization/rwupdt.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Metal.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/MaeWriter.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_assign.cpp	[]	[]
/src/rdkit/Code/GraphMol/RWMol.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/Wrap/SDMolSupplier.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_const.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Validate.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_shuffling_sycl.cpp	[]	[]
/src/rdkit/Code/DataStructs/FPBReader.h	[]	[]
/src/rdkit/Code/RDGeneral/testDict.cpp	[]	[]
/src/rdkit/Code/Query/NullQueryAlgebra.h	[]	[]
/src/rdkit/Code/GraphMol/StructChecker/Tautomer.h	[]	[]
/src/rdkit/Code/GraphMol/ChemTransforms/ChemTransforms.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/CMLWriter.cpp	[]	[]
/src/rdkit/Code/ForceField/PositionConstraint.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorIntDiv.h	[]	[]
/src/rdkit/Code/DataStructs/base64.cpp	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/catch_rgd.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/Qt/Wrap/rdMolDraw2DQt.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/AtomSymbol.cpp	[]	[]
/src/eigen/test/reshape.cpp	[]	[]
/src/eigen/Eigen/src/Householder/HouseholderSequence.h	[]	[]
/src/eigen/doc/examples/make_circulant2.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorConvolution.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_mixed_indices.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/Descriptor.h	[]	[]
/src/rdkit/Code/MinimalLib/jswrapper.cpp	[]	[]
/src/eigen/bench/btl/generic_bench/timers/portable_timer.hh	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorContraction.h	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/configs/Configuration.h	[]	[]
/src/rdkit/Code/GraphMol/MolInterchange/MolInterchange.h	[]	[]
/src/rdkit/Code/GraphMol/GeneralizedSubstruct/XQMol.h	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/configs/Configuration.cpp	[]	[]
/src/eigen/bench/btl/libs/tensors/tensor_interface.hh	[]	[]
/src/rdkit/External/GA/ga/Chromosome.h	[]	[]
/src/rdkit/Code/SimDivPickers/DistPicker.h	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/fingerprint_search_catch_tests.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/Crippen.h	[]	[]
/src/eigen/Eigen/src/Core/functors/AssignmentFunctors.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawTextFTSVG.h	[]	[]
/src/rdkit/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/MolBundle.cpp	[]	[]
/src/eigen/Eigen/src/Core/Inverse.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/testTautomer.cpp	[]	[]
/src/rdkit/Code/GraphMol/RascalMCES/LONG_TEST_mces_catch.cpp	[]	[]
/src/rdkit/Code/GraphMol/RascalMCES/RascalCluster.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/NEON/PacketMath.h	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/Fingerprints.cpp	[]	[]
/src/rdkit/Code/GraphMol/test-valgrind.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/AtomSymbol.h	[]	[]
/src/eigen/Eigen/src/Core/ArrayWrapper.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Pipeline.cpp	[]	[]
/src/rdkit/Code/GraphMol/ROMol.h	[]	[]
/src/eigen/test/selfadjoint.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolEnumerator/PositionVariation.cpp	[]	[]
/src/eigen/Eigen/src/Core/Reverse.h	[]	[]
/src/rdkit/Code/GraphMol/Wrap/rdchem.cpp	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseCompressedBase.h	[]	[]
/src/eigen/Eigen/src/Core/DenseBase.h	[]	[]
/src/eigen/Eigen/src/Core/CwiseUnaryOp.h	[]	[]
/src/eigen/Eigen/src/Core/NestByValue.h	[]	[]
/src/rdkit/Code/GraphMol/Renumber.cpp	[]	[]
/src/rdkit/Code/GraphMol/RascalMCES/PartitionSet.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_custom_op.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/catch_tests.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorInitializer.h	[]	[]
/src/rdkit/Code/GraphMol/MolAlign/AlignMolecules.cpp	[]	[]
/src/rdkit/Code/PgSQL/rdkit/bitstring.c	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/External/GA/ga/IntegerStringChromosomePolicy.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawTextSVG.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.cpp	[]	[]
/src/eigen/unsupported/test/minres.cpp	[]	[]
/src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp	[]	[]
/src/eigen/test/bicgstab.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/XYZFileWriter.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceHitSet.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/testRDF.cpp	[]	[]
/src/rdkit/Code/Geometry/testRealValueGrid.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_sycl.cpp	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h	[]	[]
/src/eigen/unsupported/Eigen/src/SpecialFunctions/BesselFunctionsImpl.h	[]	[]
/src/rdkit/Code/ForceField/AngleConstraints.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_image_op_sycl.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Wrap/Charge.cpp	[]	[]
/src/rdkit/Code/Geometry/testGrid.cpp	[]	[]
/src/eigen/test/umfpack_support.cpp	[]	[]
/src/eigen/Eigen/src/Core/util/Constants.h	[]	[]
/src/rdkit/Code/ForceField/MMFF/StretchBend.h	[]	[]
/src/eigen/test/lscg.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorBroadcasting.h	[]	[]
/src/rdkit/Code/Query/test.cpp	[]	[]
/src/eigen/test/sparse_permutations.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/testWHIM.cpp	[]	[]
/src/eigen/bench/btl/generic_bench/utils/size_lin_log.hh	[]	[]
/src/rdkit/Code/GraphMol/MolTransforms/test1.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/FingerprintGenerator.h	[]	[]
/src/eigen/test/mapstaticmethods.cpp	[]	[]
/src/rdkit/Code/GraphMol/RascalMCES/RascalMCES.cpp	[]	[]
/src/eigen/Eigen/src/Eigenvalues/RealSchur.h	[]	[]
/src/eigen/bench/btl/libs/BLAS/c_interface_base.h	[]	[]
/src/eigen/test/clz.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/SpecialFunctions/SpecialFunctionsArrayAPI.h	[]	[]
/src/eigen/bench/tensors/benchmark.h	[]	[]
/src/rdkit/Code/GraphMol/QueryAtom.h	[]	[]
/src/rdkit/External/AvalonTools/AvalonTools.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/Eigen/src/LU/PartialPivLU.h	[]	[]
/src/eigen/test/meta.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp	[]	[]
/src/rdkit/Code/ForceField/DistanceConstraint.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_inflation_sycl.cpp	[]	[]
/src/eigen/Eigen/src/Core/functors/UnaryFunctors.h	[]	[]
/src/eigen/test/sparselu.cpp	[]	[]
/src/eigen/bench/btl/libs/mtl4/mtl4_interface.hh	[]	[]
/src/eigen/Eigen/src/Core/CwiseBinaryOp.h	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseDiagonalProduct.h	[]	[]
/src/eigen/Eigen/src/SparseLU/SparseLU_heap_relax_snode.h	[]	[]
/src/rdkit/Code/GraphMol/QueryOps.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/SmilesParse/SmilesParse.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc']	[]
/src/eigen/unsupported/test/cxx11_tensor_of_strings.cpp	[]	[]
/src/eigen/Eigen/src/Core/products/SelfadjointMatrixMatrix.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/test3D.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/rules/Pairlist.h	[]	[]
/src/eigen/doc/examples/class_CwiseUnaryOp_ptrfun.cpp	[]	[]
/src/eigen/test/commainitializer.cpp	[]	[]
/src/rdkit/Code/GraphMol/PartialCharges/test1.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/Enumerate/testEnumerate.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/Synthon.h	[]	[]
/src/rdkit/Code/DataStructs/FPBReader.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/Numerics/EigenSolvers/testEigenSolvers.cpp	[]	[]
/src/rdkit/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/FileParsers/TplFileParser.cpp	['rdkit/Code/Fuzz/mol_data_stream_to_mol_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/MolBundle.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/Eigen/src/Core/DiagonalMatrix.h	[]	[]
/src/rdkit/Code/GraphMol/Subgraphs/Subgraphs.cpp	[]	[]
/src/eigen/test/num_dimensions.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/testPBF.cpp	[]	[]
/src/rdkit/Code/GraphMol/SmilesParse/catch_tests.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawMolMCH.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorConvolutionSycl.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_math_sycl.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/AtomFeat.cpp	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/SSE/PacketMath.h	[]	[]
/src/rdkit/Code/GraphMol/Depictor/Templates.h	[]	[]
/src/rdkit/Code/ForceField/MMFF/OopBend.cpp	[]	[]
/src/rdkit/Code/ForceField/UFF/BondStretch.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/SequenceWriters.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/molfile_stereo_catch.cpp	[]	[]
/src/eigen/unsupported/test/matrix_function.cpp	[]	[]
/src/rdkit/Code/GraphMol/FragCatalog/FragCatGenerator.cpp	[]	[]
/src/eigen/test/sizeoverflow.cpp	[]	[]
/src/eigen/Eigen/src/Householder/BlockHouseholder.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/testNormalize.cpp	[]	[]
/src/eigen/test/bfloat16_float.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/Mancude.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/testMHFPFingerprint.cpp	[]	[]
/src/eigen/bench/bench_move_semantics.cpp	[]	[]
/src/eigen/bench/btl/generic_bench/static/bench_static.hh	[]	[]
/src/eigen/bench/btl/generic_bench/static/intel_bench_fixed_size.hh	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/testSequence.cpp	[]	[]
/src/rdkit/Code/GraphMol/EnumerateStereoisomers/Flippers.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/test.cpp	[]	[]
/src/rdkit/Code/GraphMol/MarvinParse/MarvinParser.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/CompressedSDMolSupplier.cpp	[]	[]
/src/eigen/Eigen/src/Core/InnerProduct.h	[]	[]
/src/rdkit/Code/DistGeom/DistGeomUtils.cpp	[]	[]
/src/eigen/test/determinant.cpp	[]	[]
/src/eigen/Eigen/src/ThreadPool/ForkJoin.h	[]	[]
/src/rdkit/Code/ForceField/DistanceConstraint.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/AtomPairGenerator.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/SmilesParse/smatest.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/rules/Rule6.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/AUTOCORR3D.cpp	[]	[]
/src/eigen/bench/btl/generic_bench/init/init_vector.hh	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/MACCS.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolChemicalFeatures/FeatureParser.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.cpp	[]	[]
/src/rdkit/Code/GraphMol/resMolSupplierTest.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/IterativeSolvers/Scaling.h	[]	[]
/src/rdkit/Code/DataStructs/DiscreteValueVect.h	[]	[]
/src/rdkit/Code/GraphMol/Depictor/RDDepictor.cpp	[]	[]
/src/rdkit/Code/GraphMol/AtomIterators.cpp	[]	[]
/src/rdkit/Code/MinimalLib/testMinilib.cpp	[]	[]
/src/eigen/Eigen/src/MetisSupport/MetisSupport.h	[]	[]
/src/eigen/unsupported/Eigen/src/SpecialFunctions/BesselFunctionsHalf.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_scan_sycl.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/Wrap/MorganWrapper.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/FFT/fftw_impl.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/testMORSE.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceHitSet.h	[]	[]
/src/eigen/bench/btl/actions/action_trmm.hh	[]	[]
/src/eigen/blas/f2c/dtbmv.c	[]	[]
/src/eigen/unsupported/Eigen/src/NonLinearOptimization/r1mpyq.h	[]	[]
/src/eigen/Eigen/src/Core/FindCoeff.h	[]	[]
/src/eigen/bench/btl/generic_bench/timers/x86_timer.hh	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupUtils.h	[]	[]
/src/eigen/test/sparseqr.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawMolMCH.h	[]	[]
/src/rdkit/Code/GraphMol/MolCatalog/MolCatalogParams.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_math.cpp	[]	[]
/src/eigen/doc/examples/function_taking_ref.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_symmetry.cpp	[]	[]
/src/eigen/bench/benchCholesky.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/GPU/Complex.h	[]	[]
/src/eigen/test/bug1213_main.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.cpp	[]	[]
/src/rdkit/External/FreeSASA/Wrap/rdFreeSASA.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/Demos/boost/EBV_err/wrapC.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorMap.h	[]	[]
/src/rdkit/Code/GraphMol/Wrap/Table.cpp	[]	[]
/src/rdkit/Code/ForceField/Contrib.h	[]	[]
/src/rdkit/Code/GraphMol/Depictor/RDDepictor.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h	[]	[]
/src/eigen/Eigen/src/Core/products/TriangularMatrixMatrix.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorForcedEval.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/OxidationNumbers.cpp	[]	[]
/src/eigen/Eigen/src/Eigenvalues/RealQZ.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/CDXMLParser.cpp	[]	[]
/src/rdkit/Code/ForceField/UFF/BondStretch.cpp	[]	[]
/src/eigen/bench/btl/actions/action_matrix_matrix_product_bis.hh	[]	[]
/src/rdkit/Code/ForceField/AngleConstraints.cpp	[]	[]
/src/rdkit/Code/GraphMol/SLNParse/SLNParse.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolEnumerator/Wrap/rdMolEnumerator.cpp	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseView.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorExecutor.h	[]	[]
/src/rdkit/Code/Numerics/SquareMatrix.h	[]	[]
/src/eigen/blas/f2c/drotm.c	[]	[]
/src/rdkit/Code/GraphMol/FMCS/Seed.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/Eigen/src/Core/arch/Default/BFloat16.h	[]	[]
/src/eigen/Eigen/src/Core/arch/AltiVec/MatrixProduct.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_generator_sycl.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/Conformer.cpp	[]	[]
/src/rdkit/Code/GraphMol/Depictor/Templates.cpp	[]	[]
/src/rdkit/Code/GraphMol/FilterCatalog/FilterCatalogEntry.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Contrib/ConformerParser/ConformerParser.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Wrap/Fragment.cpp	[]	[]
/src/eigen/bench/btl/actions/action_partial_lu.hh	[]	[]
/src/eigen/test/skew_symmetric_matrix3.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/Eigen/src/IterativeSolvers/IncompleteLU.h	[]	[]
/src/rdkit/Code/RDGeneral/hanoiSort.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Normalize.cpp	[]	[]
/src/eigen/test/stdvector.cpp	[]	[]
/src/eigen/test/product_notemporary.cpp	[]	[]
/src/eigen/bench/btl/generic_bench/utils/xy_file.hh	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/RDKitSVPanel.cc	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/Wrap/rdRGroupComposition.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/SpecialFunctions/BesselFunctionsPacketMath.h	[]	[]
/src/eigen/Eigen/src/Core/Random.h	[]	[]
/src/rdkit/Code/GraphMol/Conformer.h	[]	[]
/src/eigen/test/tuple_test.cpp	[]	[]
/src/eigen/demos/opengl/trackball.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/testAUTOCORR2D.cpp	[]	[]
/src/eigen/Eigen/src/ThreadPool/ThreadLocal.h	[]	[]
/src/eigen/test/diagonal.cpp	[]	[]
/src/eigen/bench/tensors/benchmark_main.cc	[]	[]
/src/rdkit/Code/ForceField/DistanceConstraints.cpp	[]	[]
/src/rdkit/Code/ML/InfoTheory/InfoBitRanker.cpp	[]	[]
/src/rdkit/Code/ML/InfoTheory/CorrMatGenerator.h	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/PreprocessRxn.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorFixedSize.h	[]	[]
/src/rdkit/Code/GraphMol/MolAlign/testMolAlign.cpp	[]	[]
/src/eigen/test/miscmatrices.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/MDLParser.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/seqs.hpp	[]	[]
/src/eigen/test/mapstride.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_block_eval.cpp	[]	[]
/src/rdkit/Code/MinimalLib/minilib.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/Eigen/src/EulerAngles/EulerAngles.h	[]	[]
/src/eigen/blas/f2c/chbmv.c	[]	[]
/src/eigen/unsupported/bench/bench_svd.cpp	[]	[]
/src/rdkit/Code/GraphMol/SmilesParse/test2.cpp	[]	[]
/src/eigen/Eigen/src/OrderingMethods/Eigen_Colamd.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorEvalTo.h	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/AtomPairs.cpp	[]	[]
/src/rdkit/External/CoordGen/Wrap/rdCoordGen.cpp	[]	[]
/src/eigen/bench/perf_monitoring/gemv_common.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/MultithreadedMolSupplier.h	[]	[]
/src/eigen/Eigen/src/Core/products/SelfadjointProduct.h	[]	[]
/src/rdkit/Code/GraphMol/new_canon.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/test/threads_non_blocking_thread_pool.cpp	[]	[]
/src/rdkit/External/GA/ga/StringChromosome.h	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorMorphing.h	[]	[]
/src/eigen/test/threads_fork_join.cpp	[]	[]
/src/eigen/test/qr_colpivoting.cpp	[]	[]
/src/rdkit/Code/PgSQL/rdkit/mol_op.c	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/DetermineBonds/Wrap/rdDetermineBonds.cpp	[]	[]
/src/rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc']	[]
/src/eigen/test/stddeque.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp	[]	[]
/src/eigen/bench/btl/generic_bench/timers/x86_perf_analyzer.hh	[]	[]
/src/eigen/unsupported/test/idrs.cpp	[]	[]
/src/rdkit/Code/DataStructs/SparseBitVect.h	[]	[]
/src/rdkit/Code/ML/InfoTheory/Wrap/rdInfoTheory.cpp	[]	[]
/src/rdkit/Code/RDGeneral/ControlCHandler.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.cpp	[]	[]
/src/rdkit/Code/RDBoost/Wrap.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/FileParsers/MolFileStereochem.h	[]	[]
/src/rdkit/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorConcatenation.h	[]	[]
/src/rdkit/Code/ForceField/AngleConstraint.cpp	[]	[]
/src/eigen/unsupported/test/autodiff.cpp	[]	[]
/src/eigen/Eigen/src/Core/GeneralProduct.h	[]	[]
/src/eigen/unsupported/Eigen/src/FFT/kissfft_impl.h	[]	[]
/src/eigen/unsupported/Eigen/src/SpecialFunctions/SpecialFunctionsImpl.h	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/testCoulombMat.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolTransforms/MolTransforms.cpp	[]	[]
/src/eigen/test/blasutil.cpp	[]	[]
/src/eigen/test/bandmatrix.cpp	[]	[]
/src/rdkit/Code/GraphMol/FragCatalog/Wrap/FragFPGenerator.cpp	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseMatrix.h	[]	[]
/src/eigen/Eigen/src/Core/GlobalFunctions.h	[]	[]
/src/rdkit/Code/GraphMol/FMCS/Graph.h	[]	[]
/src/rdkit/Code/GraphMol/Matrices.cpp	[]	[]
/src/rdkit/Code/GraphMol/FMCS/MaximumCommonSubgraph.h	[]	[]
/src/rdkit/Code/GraphMol/RascalMCES/mces_catch.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/Default/GenericPacketMathFunctions.h	[]	[]
/src/eigen/unsupported/Eigen/src/SparseExtra/MatrixMarketIterator.h	[]	[]
/src/rdkit/Code/GraphMol/MolTransforms/Wrap/rdMolTransforms.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/SparseExtra/SparseInverse.h	[]	[]
/src/rdkit/Code/SimDivPickers/Wrap/LeaderPicker.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2D.h	[]	[]
/src/rdkit/Code/Fuzz/mol_data_stream_to_mol_fuzzer.cc	['rdkit/Code/Fuzz/mol_data_stream_to_mol_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp	[]	[]
/src/eigen/test/conservative_resize.cpp	[]	[]
/src/eigen/test/cholmod_support.cpp	[]	[]
/src/eigen/Eigen/src/SparseLU/SparseLU_panel_bmod.h	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.h	[]	[]
/src/eigen/Eigen/src/ThreadPool/ThreadEnvironment.h	[]	[]
/src/eigen/Eigen/src/Core/arch/AVX/TypeCasting.h	[]	[]
/src/rdkit/Code/ML/Data/cQuantize.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/ReactionFingerprints.h	[]	[]
/src/rdkit/Code/GraphMol/SLNParse/SLNParseOps.h	[]	[]
/src/eigen/doc/examples/class_CwiseUnaryOp.cpp	[]	[]
/src/eigen/test/serializer.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorForwardDeclarations.h	[]	[]
/src/eigen/bench/btl/actions/action_matrix_vector_product.hh	[]	[]
/src/rdkit/Code/MinimalLib/common.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/MinimalLib/JSONParsers.cpp	[]	[]
/src/eigen/Eigen/src/OrderingMethods/Amd.h	[]	[]
/src/rdkit/Code/GraphMol/Basement/FeatTrees/testFeatTrees.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_morphing.cpp	[]	[]
/src/eigen/test/householder.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorFunctors.h	[]	[]
/src/rdkit/External/pubchem_shape/PubChemShape.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/test/cxx11_tensor_broadcast_sycl.cpp	[]	[]
/src/eigen/test/product.h	[]	[]
/src/eigen/Eigen/src/IterativeLinearSolvers/IncompleteCholesky.h	[]	[]
/src/rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc	['rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/test/matrix_functions.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/PDBWriter.cpp	[]	[]
/src/eigen/Eigen/src/Core/ConditionEstimator.h	[]	[]
/src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp	[]	[]
/src/eigen/Eigen/src/SparseCore/TriangularSolver.h	[]	[]
/src/eigen/unsupported/Eigen/src/EulerAngles/EulerSystem.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Wrap/Validate.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/FileParsers/SDWriter.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorReverse.h	[]	[]
/src/rdkit/Code/GraphMol/Trajectory/trajectoryTest.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/AUTOCORR2D.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_generator.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/MolDisplay2DWidget.cc	[]	[]
/src/eigen/unsupported/Eigen/src/SpecialFunctions/SpecialFunctionsBFloat16.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorCostModel.h	[]	[]
/src/eigen/Eigen/src/Core/DeviceWrapper.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_fft.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolEnumerator/MolEnumerator.cpp	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseRef.h	[]	[]
/src/rdkit/Code/DataStructs/RealValueVect.h	[]	[]
/src/rdkit/Code/GraphMol/RascalMCES/PartitionSet.h	[]	[]
/src/eigen/Eigen/src/Core/AssignEvaluator.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorGlobalFunctions.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/MolFileWriter.cpp	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.h	[]	[]
/src/rdkit/Code/DataStructs/Wrap/wrap_ExplicitBV.cpp	[]	[]
/src/eigen/Eigen/src/Core/PlainObjectBase.h	[]	[]
/src/eigen/bench/btl/libs/blitz/tiny_blitz_interface.hh	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_block_io.cpp	[]	[]
/src/eigen/test/inplace_decomposition.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/XYZFileParser.cpp	[]	[]
/src/rdkit/Code/GraphMol/BondIterators.cpp	[]	[]
/src/rdkit/Code/GraphMol/testSGroup.cpp	[]	[]
/src/rdkit/Code/GraphMol/StructChecker/StripSmallFragments.cpp	[]	[]
/src/eigen/Eigen/src/Core/SkewSymmetricMatrix3.h	[]	[]
/src/eigen/Eigen/src/misc/RealSvd2x2.h	[]	[]
/src/rdkit/Code/GraphMol/AtomIterators.h	[]	[]
/src/eigen/blas/f2c/lsame.c	[]	[]
/src/rdkit/Code/SimDivPickers/catch_tests.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.cpp	[]	[]
/src/eigen/Eigen/src/SparseLU/SparseLU_Memory.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_comparisons.cpp	[]	[]
/src/rdkit/Code/GraphMol/FilterCatalog/FilterCatalog.cpp	[]	[]
/src/rdkit/Code/Numerics/Vector.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.h	[]	[]
/src/rdkit/Code/GraphMol/Depictor/EmbeddedFrag.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_of_const_values.cpp	[]	[]
/src/rdkit/Code/GraphMol/FragCatalog/test1.cpp	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.cpp	[]	[]
/src/rdkit/Code/GraphMol/FMCS/TargetMatch.cpp	[]	[]
/src/rdkit/Code/RDGeneral/RDValue.h	[]	[]
/src/rdkit/Code/GraphMol/PartialCharges/GasteigerParams.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/MolSupplier.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawTextJS.cpp	[]	[]
/src/rdkit/Code/GraphMol/Trajectory/Trajectory.h	[]	[]
/src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDKitImpl.cpp	[]	[]
/src/eigen/Eigen/src/Core/util/Assert.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_custom_op_sycl.cpp	[]	[]
/src/rdkit/Code/DataStructs/testDatastructs.cpp	[]	[]
/src/rdkit/External/GA/ga/GaBase.h	[]	[]
/src/rdkit/Code/SimDivPickers/MaxMinPicker.h	[]	[]
/src/eigen/test/sparse_basic.cpp	[]	[]
/src/eigen/unsupported/test/bessel_functions.cpp	[]	[]
/src/eigen/test/eigen2support.cpp	[]	[]
/src/rdkit/External/FreeSASA/RDFreeSASA.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/MolDraw2D/StringRect.h	[]	[]
/src/rdkit/Code/Demos/RDKit/Basement/Minimize/MinimizeCLI.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/MemoryMappedFileReader.cpp	[]	[]
/src/eigen/Eigen/src/Core/CoreIterators.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_roundings.cpp	[]	[]
/src/rdkit/Code/GraphMol/Chirality.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorVolumePatch.h	[]	[]
/src/rdkit/Code/DataStructs/SparseBitVect.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/MolStandardize/Wrap/Metal.cpp	[]	[]
/src/rdkit/Code/GraphMol/catch_graphmol.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorImagePatch.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/Qt/DrawTextFTQt.h	[]	[]
/src/eigen/Eigen/src/Cholesky/LDLT.h	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_of_float16_sycl.cpp	[]	[]
/src/rdkit/Code/Geometry/Transform2D.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_padding_sycl.cpp	[]	[]
/src/rdkit/Code/Demos/boost/python_objs/python_objs.cpp	[]	[]
/src/eigen/test/geo_eulerangles.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/MolDescriptors.cpp	[]	[]
/src/eigen/unsupported/test/polynomialsolver.cpp	[]	[]
/src/rdkit/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp	[]	[]
/src/eigen/bench/perf_monitoring/gemm.cpp	[]	[]
/src/rdkit/Code/Numerics/SymmMatrix.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/test/diagonalmatrices.cpp	[]	[]
/src/rdkit/Code/GraphMol/DistGeomHelpers/Embedder.h	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h	[]	[]
/src/eigen/Eigen/src/Core/Assign.h	[]	[]
/src/rdkit/Code/PgSQL/rdkit/sfp_op.c	[]	[]
/src/rdkit/Code/GraphMol/Substruct/test1.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_thread_local.cpp	[]	[]
/src/rdkit/Code/GraphMol/Deprotect/Wrap/DeprotectWrap.cpp	[]	[]
/src/rdkit/Code/GraphMol/FMCS/TargetMatch.h	[]	[]
/src/eigen/Eigen/src/Core/Solve.h	[]	[]
/src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupUtils.cpp	[]	[]
/src/rdkit/Code/GraphMol/Abbreviations/Abbreviations.h	[]	[]
/src/rdkit/Code/GraphMol/atomic_data.h	[]	[]
/src/eigen/bench/btl/actions/action_syr2.hh	[]	[]
/src/rdkit/Code/SimDivPickers/pickersCLI.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_concatenation.cpp	[]	[]
/src/eigen/Eigen/src/SPQRSupport/SuiteSparseQRSupport.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/MaeMolSupplier.cpp	[]	[]
/src/eigen/bench/btl/generic_bench/static/static_size_generator.hh	[]	[]
/src/rdkit/Code/ML/InfoTheory/InfoGainFuncs.h	[]	[]
/src/rdkit/Code/GraphMol/GenericGroups/GenericGroups.cpp	[]	[]
/src/rdkit/Code/GraphMol/SubstructLibrary/substructLibraryTest.cpp	[]	[]
/src/rdkit/Code/MinimalLib/minilib.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/Eigen/src/NonLinearOptimization/chkder.h	[]	[]
/src/eigen/Eigen/src/Core/functors/TernaryFunctors.h	[]	[]
/src/eigen/test/swap.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/Geometry/testTransforms.cpp	[]	[]
/src/rdkit/Code/GraphMol/FilterCatalog/FilterMatchers.cpp	[]	[]
/src/eigen/Eigen/src/Eigenvalues/ComplexSchur.h	[]	[]
/src/eigen/bench/bench_gemm.cpp	[]	[]
/src/eigen/bench/btl/generic_bench/timers/STL_timer.hh	[]	[]
/src/eigen/Eigen/src/Geometry/AngleAxis.h	[]	[]
/src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDMolImpl.cpp	[]	[]
/src/eigen/bench/btl/data/mean.cxx	[]	[]
/src/eigen/Eigen/src/Core/products/GeneralMatrixMatrix.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h	[]	[]
/src/eigen/Eigen/src/IterativeLinearSolvers/ConjugateGradient.h	[]	[]
/src/eigen/Eigen/src/Geometry/Quaternion.h	[]	[]
/src/eigen/test/bdcsvd.cpp	[]	[]
/src/rdkit/External/GA/ga/GaOperation.h	[]	[]
/src/rdkit/Code/GraphMol/SubstructLibrary/PatternFactory.cpp	[]	[]
/src/rdkit/Code/GraphMol/DetermineBonds/DetermineBonds.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/Eigen/src/NonLinearOptimization/qrsolv.h	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.h	[]	[]
/src/eigen/test/OffByOneScalar.h	[]	[]
/src/rdkit/Code/GraphMol/test1.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolEnumerator/RepeatUnit.cpp	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseMatrixBase.h	[]	[]
/src/rdkit/Code/GraphMol/Wrap/TDTWriter.cpp	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp	[]	[]
/src/eigen/blas/f2c/zhpmv.c	[]	[]
/src/rdkit/Code/GraphMol/AddHs.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/test/prec_inverse_4x4.cpp	[]	[]
/src/eigen/bench/btl/libs/eigen2/eigen2_interface.hh	[]	[]
/src/rdkit/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp	[]	[]
/src/eigen/unsupported/test/special_functions.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeature.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/MolOps.cpp	[]	[]
/src/eigen/blas/PackedTriangularSolverVector.h	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/ReactionDepict.cpp	[]	[]
/src/eigen/test/sparse_ref.cpp	[]	[]
/src/eigen/test/random_matrix.cpp	[]	[]
/src/rdkit/External/GA/ga/BinaryStringChromosomePolicy.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearch_details.h	[]	[]
/src/eigen/test/jacobi.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_image_patch_sycl.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorTrace.h	[]	[]
/src/rdkit/Code/Numerics/Optimizer/BFGSOpt.h	[]	[]
/src/eigen/unsupported/Eigen/src/Splines/SplineFitting.h	[]	[]
/src/rdkit/Code/RDGeneral/utils.h	[]	[]
/src/rdkit/External/YAeHMOP/Wrap/rdEHTTools.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_shuffling.cpp	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupData.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.h	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/Wrap/RDKitFPWrapper.cpp	[]	[]
/src/rdkit/Code/ForceField/MMFF/OopBend.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_argmax.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/SpecialFunctions/BesselFunctionsArrayAPI.h	[]	[]
/src/rdkit/Code/ML/InfoTheory/Wrap/InfoBitRanker.cpp	[]	[]
/src/eigen/test/eigensolver_generalized_real.cpp	[]	[]
/src/rdkit/Code/GraphMol/Depictor/DepictUtils.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/MorganGenerator.cpp	[]	[]
/src/rdkit/Code/GraphMol/StructChecker/Utilites.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DDetails.cpp	[]	[]
/src/eigen/test/numext.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Contrib/PBF/demo.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/External/CoordGen/CoordGen.h	[]	[]
/src/rdkit/Code/DataStructs/DiscreteDistMat.h	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/Digraph.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/Default/Half.h	[]	[]
/src/rdkit/Code/GraphMol/MonomerInfo.cpp	[]	[]
/src/rdkit/Code/DataStructs/ExplicitBitVect.h	[]	[]
/src/rdkit/Code/GraphMol/EnumerateStereoisomers/Flippers.cpp	[]	[]
/src/rdkit/Code/GraphMol/MarvinParse/testMrvToMol.cpp	[]	[]
/src/rdkit/Code/ForceField/UFF/Nonbonded.cpp	[]	[]
/src/eigen/bench/btl/actions/action_atv_product.hh	[]	[]
/src/eigen/unsupported/test/splines.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_random.cpp	[]	[]
/src/rdkit/Contrib/ConformerParser/Wrap/rdConformerParser.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolPickler.h	[]	[]
/src/rdkit/Docs/Book/C++Examples/example17.cpp	[]	[]
/src/eigen/Eigen/src/Eigenvalues/HessenbergDecomposition.h	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/FingerprintUtil.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/cdxml_parser_catch.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_thread_pool.cpp	[]	[]
/src/eigen/Eigen/src/Geometry/OrthoMethods.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.cpp	[]	[]
/src/rdkit/Code/DataStructs/DatastructsStreamOps.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2Dwx.h	[]	[]
/src/eigen/Eigen/src/Geometry/Homogeneous.h	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/MHFP.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorDeviceGpu.h	[]	[]
/src/eigen/blas/xerbla.cpp	[]	[]
/src/eigen/Eigen/src/SparseCholesky/SimplicialCholesky_impl.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/Eigen/src/Core/util/IndexedViewHelper.h	[]	[]
/src/eigen/test/basicstuff.cpp	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h	[]	[]
/src/eigen/Eigen/src/Geometry/Hyperplane.h	[]	[]
/src/rdkit/Code/Catalogs/CatalogEntry.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/PNGParser.cpp	[]	[]
/src/rdkit/Code/Geometry/UniformRealValueGrid3D.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/Polynomials/PolynomialSolver.h	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupScore.cpp	[]	[]
/src/eigen/unsupported/test/forward_adolc.cpp	[]	[]
/src/eigen/test/threads_runqueue.cpp	[]	[]
/src/eigen/bench/BenchUtil.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawTextJS.h	[]	[]
/src/eigen/bench/btl/actions/action_lu_solve.hh	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/testReactionFingerprints.cpp	[]	[]
/src/eigen/test/evaluators.cpp	[]	[]
/src/rdkit/Code/SimDivPickers/Wrap/PickerHelpers.h	[]	[]
/src/rdkit/Code/GraphMol/Abbreviations/Abbreviations.cpp	[]	[]
/src/rdkit/Code/GraphMol/testPicklerGlobalSettings.cpp	[]	[]
/src/eigen/Eigen/src/Core/util/EmulateArray.h	[]	[]
/src/rdkit/Code/GraphMol/StructChecker/ReCharge.h	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupDecomp.cpp	[]	[]
/src/eigen/bench/btl/actions/action_lu_decomp.hh	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawAnnotation.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/Mol2FileParser.cpp	[]	[]
/src/eigen/bench/btl/generic_bench/btl.hh	[]	[]
/src/rdkit/Code/GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.cpp	[]	[]
/src/rdkit/Code/GraphMol/StructChecker/Pattern.cpp	[]	[]
/src/rdkit/Code/GraphMol/PeriodicTable.h	[]	[]
/src/rdkit/Code/GraphMol/MolProcessing/Wrap/rdMolProcessing.cpp	[]	[]
/src/eigen/demos/mandelbrot/mandelbrot.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/ForwardSDMolSupplier.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/NonLinearOptimization/r1updt.h	[]	[]
/src/rdkit/Code/Demos/RDKit/GettingStarted/sample.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp	[]	[]
/src/eigen/Eigen/src/Core/SelfAdjointView.h	[]	[]
/src/eigen/Eigen/src/Eigenvalues/MatrixBaseEigenvalues.h	[]	[]
/src/rdkit/Code/GraphMol/FMCS/DuplicatedSeedCache.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/TDTWriter.cpp	[]	[]
/src/rdkit/External/YAeHMOP/EHTTools.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/MolSGroupWriting.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/testMultithreadedMolSupplier.cpp	[]	[]
/src/eigen/demos/opengl/gpuhelper.cpp	[]	[]
/src/rdkit/Code/PgSQL/rdkit/rdkit_gist.c	[]	[]
/src/rdkit/Code/GraphMol/MolInteractionFields/MIFDescriptors.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/testBCUT.cpp	[]	[]
/src/rdkit/Code/GraphMol/SubstructLibrary/SubstructLibrary.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorShuffling.h	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupCore.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/TplFileWriter.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_argmax_sycl.cpp	[]	[]
/src/eigen/doc/examples/TemplateKeyword_flexible.cpp	[]	[]
/src/rdkit/Code/PgSQL/rdkit/rxn_op.c	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/rules/Rule3.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/RDKitSVSettings.cc	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupData.cpp	[]	[]
/src/rdkit/Code/RDGeneral/RDThreads.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_concatenation_sycl.cpp	[]	[]
/src/eigen/bench/btl/actions/action_axpby.hh	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_io.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/bench/btl/generic_bench/timers/portable_perf_analyzer.hh	[]	[]
/src/rdkit/Code/GraphMol/querytest.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_intdiv.cpp	[]	[]
/src/eigen/bench/btl/actions/action_symv.hh	[]	[]
/src/rdkit/Code/GraphMol/FMCS/SubstructureCache.h	[]	[]
/src/eigen/bench/btl/actions/action_trisolve.hh	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/rules/Rule1a.cpp	[]	[]
/src/eigen/test/linearstructure.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolOps.h	[]	[]
/src/rdkit/Code/GraphMol/ChemTransforms/MolFragmenter.h	[]	[]
/src/eigen/Eigen/src/QR/HouseholderQR.h	[]	[]
/src/eigen/Eigen/src/Core/functors/NullaryFunctors.h	[]	[]
/src/eigen/demos/opengl/quaternion_demo.cpp	[]	[]
/src/eigen/doc/examples/class_Block.cpp	[]	[]
/src/rdkit/Code/GraphMol/GeneralizedSubstruct/Wrap/rdGeneralizedSubstruct.cpp	[]	[]
/src/rdkit/Code/Numerics/EigenSolvers/PowerEigenSolver.cpp	[]	[]
/src/rdkit/Code/Geometry/Utils.h	[]	[]
/src/rdkit/Code/ForceField/UFF/Utils.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_empty.cpp	[]	[]
/src/eigen/Eigen/src/misc/lapacke_helpers.h	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/MoleculeParser.cpp	[]	[]
/src/eigen/bench/btl/libs/blitz/blitz_interface.hh	[]	[]
/src/eigen/Eigen/src/Core/products/GeneralMatrixMatrixTriangular.h	[]	[]
/src/eigen/bench/perf_monitoring/gemvt.cpp	[]	[]
/src/eigen/test/unaryview.cpp	[]	[]
/src/eigen/Eigen/src/Core/Transpositions.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_casts.cpp	[]	[]
/src/eigen/test/klu_support.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_reduction_sycl.cpp	[]	[]
/src/rdkit/Code/GraphMol/Depictor/Basement/Depictor.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolEnumerator/LinkNode.h	[]	[]
/src/rdkit/Code/GraphMol/MolHash/hashfunctions.cpp	[]	[]
/src/rdkit/Code/GraphMol/MonomerInfo.h	[]	[]
/src/rdkit/Code/Catalogs/CatalogParams.h	[]	[]
/src/rdkit/Code/GraphMol/MolInteractionFields/testMIF.cpp	[]	[]
/src/eigen/Eigen/src/SparseLU/SparseLU_panel_dfs.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/QTGet2Strings.cc	[]	[]
/src/eigen/demos/mandelbrot/mandelbrot.h	[]	[]
/src/eigen/test/product_threaded.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/rxn_test1.cpp	[]	[]
/src/rdkit/Code/Geometry/Wrap/UniformGrid3D.cpp	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolHash/normalize.cpp	[]	[]
/src/eigen/Eigen/src/Geometry/ParametrizedLine.h	[]	[]
/src/rdkit/Code/GraphMol/Canon.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/Wrap/ResonanceMolSupplier.cpp	[]	[]
/src/eigen/Eigen/src/SparseLU/SparseLU.h	[]	[]
/src/rdkit/Code/RDStreams/streams.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/test2.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/MolFileParser.cpp	[]	[]
/src/eigen/Eigen/src/LU/FullPivLU.h	[]	[]
/src/eigen/unsupported/doc/examples/BVH_Example.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Validate.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/rules/Rule2.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawTextCairo.h	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseDot.h	[]	[]
/src/rdkit/Code/ForceField/MMFF/TorsionAngle.cpp	[]	[]
/src/eigen/bench/btl/generic_bench/timers/mixed_perf_analyzer.hh	[]	[]
/src/rdkit/Code/DistGeom/testDistGeom.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/AVX512/TrsmKernel.h	[]	[]
/src/rdkit/Code/SimDivPickers/Wrap/HierarchicalClusterPicker.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/Digraph.h	[]	[]
/src/rdkit/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/SSE/TypeCasting.h	[]	[]
/src/eigen/bench/btl/generic_bench/init/init_function.hh	[]	[]
/src/eigen/bench/btl/generic_bench/init/init_matrix.hh	[]	[]
/src/rdkit/Code/ForceField/MMFF/TorsionAngle.h	[]	[]
/src/eigen/unsupported/test/BVH.cpp	[]	[]
/src/rdkit/External/GA/ga/StringChromosomeBase.h	[]	[]
/src/rdkit/Code/GraphMol/MolInterchange/Wrap/rdMolInterchange.cpp	[]	[]
/src/eigen/bench/btl/actions/action_ger.hh	[]	[]
/src/eigen/Eigen/src/Core/StableNorm.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorGenerator.h	[]	[]
/src/eigen/Eigen/src/Core/DiagonalProduct.h	[]	[]
/src/rdkit/Code/Numerics/Matrix.h	[]	[]
/src/eigen/Eigen/src/misc/Kernel.h	[]	[]
/src/eigen/test/packetmath_test_shared.h	[]	[]
/src/eigen/lapack/dsecnd_INT_CPU_TIME.cpp	[]	[]
/src/eigen/Eigen/src/Eigenvalues/EigenSolver.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/bench/basicbenchmark.h	[]	[]
/src/eigen/bench/spbench/spbenchsolver.cpp	[]	[]
/src/rdkit/External/GA/ga/BinaryStringChromosomePolicy.h	[]	[]
/src/eigen/Eigen/src/Jacobi/Jacobi.h	[]	[]
/src/eigen/Eigen/src/Core/Swap.h	[]	[]
/src/eigen/Eigen/src/IterativeLinearSolvers/BiCGSTAB.h	[]	[]
/src/eigen/Eigen/src/SparseCholesky/SimplicialCholesky.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorChipping.h	[]	[]
/src/eigen/Eigen/src/Core/ReturnByValue.h	[]	[]
/src/rdkit/Code/GraphMol/SubstructLibrary/catch_tests.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/AltiVec/MatrixProductMMAbfloat16.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/testExtendedStereoParsing.cpp	[]	[]
/src/eigen/bench/geometry.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/test/matrix_exponential.cpp	[]	[]
/src/rdkit/Code/DataStructs/Wrap/wrap_BitOps.cpp	[]	[]
/src/rdkit/Code/Demos/RDKit/MPI/rdkexample2.cpp	[]	[]
/src/rdkit/Code/GraphMol/MarvinParse/MarvinDefs.cpp	[]	[]
/src/rdkit/Code/Geometry/point.cpp	[]	[]
/src/eigen/doc/examples/function_taking_eigenbase.cpp	[]	[]
/src/rdkit/Code/GraphMol/SmilesParse/nontetrahedral_tests.cpp	[]	[]
/src/rdkit/Code/GraphMol/StructChecker/testStructChecker.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Wrap/rdMolStandardize.cpp	[]	[]
/src/eigen/test/mapped_matrix.cpp	[]	[]
/src/eigen/Eigen/src/Core/Fuzzy.h	[]	[]
/src/rdkit/Code/GraphMol/Deprotect/Deprotect.h	[]	[]
/src/eigen/blas/f2c/drotmg.c	[]	[]
/src/eigen/bench/vdw_new.cpp	[]	[]
/src/eigen/bench/bench_norm.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorConversion.h	[]	[]
/src/rdkit/Code/PgSQL/rdkit/low_gist.c	[]	[]
/src/rdkit/Code/Fuzz/include/fuzzer/FuzzedDataProvider.h	['rdkit/Code/Fuzz/mol_data_stream_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/testGeneralFileReader.cpp	[]	[]
/src/rdkit/Code/GraphMol/SmilesParse/SmilesJSONParsers.cpp	[]	[]
/src/eigen/bench/btl/generic_bench/utils/size_log.hh	[]	[]
/src/rdkit/Code/RDGeneral/Ranking.h	[]	[]
/src/eigen/test/sparse_block.cpp	[]	[]
/src/rdkit/Code/GraphMol/StructChecker/StructCheckerOptions.cpp	[]	[]
/src/eigen/test/ctorleak.cpp	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseProduct.h	[]	[]
/src/eigen/Eigen/src/SparseLU/SparseLU_column_dfs.h	[]	[]
/src/rdkit/Code/GraphMol/FilterCatalog/FilterMatchers.h	[]	[]
/src/rdkit/Code/Demos/RDKit/Draw/qtDemo/RDKitMolToQPainter.cc	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/Demos/RDKit/Draw/demo.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_image_patch.cpp	[]	[]
/src/eigen/bench/tensors/tensor_benchmarks.h	[]	[]
/src/rdkit/Code/DataStructs/Wrap/RealValueVect.cpp	[]	[]
/src/eigen/Eigen/src/OrderingMethods/Ordering.h	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/SDWriter.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/NonLinearOptimization/dogleg.h	[]	[]
/src/rdkit/Code/GraphMol/StructChecker/Utilites.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorDimensions.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Metal.h	[]	[]
/src/rdkit/Code/GraphMol/QueryBond.h	[]	[]
/src/rdkit/Code/GraphMol/MolCatalog/MolCatalogParams.cpp	[]	[]
/src/eigen/test/nullary.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_simple.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/LSX/PacketMath.h	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/substructure_search_catch_tests.cpp	[]	[]
/src/eigen/test/eigensolver_selfadjoint.cpp	[]	[]
/src/rdkit/Code/GraphMol/FMCS/FMCS.h	[]	[]
/src/eigen/unsupported/Eigen/src/SpecialFunctions/BesselFunctionsBFloat16.h	[]	[]
/src/eigen/bench/BenchSparseUtil.h	[]	[]
/src/rdkit/Code/RDGeneral/RDAny.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/DataStructs/MultiFPBReader.cpp	[]	[]
/src/eigen/demos/mix_eigen_and_c/example.c	[]	[]
/src/eigen/bench/BenchTimer.h	[]	[]
/src/eigen/Eigen/src/PardisoSupport/PardisoSupport.h	[]	[]
/src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDMolSupplierImpl.h	[]	[]
/src/eigen/test/block.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp	[]	[]
/src/eigen/test/MovableScalar.h	[]	[]
/src/rdkit/Code/RDGeneral/Dict.h	[]	[]
/src/eigen/bench/btl/libs/ublas/ublas_interface.hh	[]	[]
/src/rdkit/Code/GraphMol/Trajectory/Trajectory.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/Eigen/src/Core/arch/SSE/Complex.h	[]	[]
/src/eigen/test/sparse_product.cpp	[]	[]
/src/rdkit/Code/GraphMol/QueryAtom.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/testMol2ToMol.cpp	[]	[]
/src/eigen/Eigen/src/SVD/UpperBidiagonalization.h	[]	[]
/src/rdkit/Code/ForceField/MMFF/Nonbonded.cpp	[]	[]
/src/eigen/Eigen/src/Core/Transpose.h	[]	[]
/src/rdkit/Code/GraphMol/QueryBond.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/test/cxx11_tensor_chipping.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Charge.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.cpp	[]	[]
/src/eigen/Eigen/src/Core/SolverBase.h	[]	[]
/src/eigen/test/product_large.cpp	[]	[]
/src/eigen/doc/examples/nullary_indexing.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorArgMax.h	[]	[]
/src/eigen/Eigen/src/Core/arch/ZVector/Complex.h	[]	[]
/src/eigen/Eigen/src/Core/Diagonal.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_contraction.cpp	[]	[]
/src/eigen/Eigen/src/SparseLU/SparseLU_column_bmod.h	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/Edge.h	[]	[]
/src/rdkit/Code/PgSQL/rdkit/bfp_gist.c	[]	[]
/src/rdkit/Code/GraphMol/Atom.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/ChemReactions/PNGParser.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/Enumerate/EnumerateBase.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/Qt/MolDraw2DQt.h	[]	[]
/src/eigen/bench/product_threshold.cpp	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupGa.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/testValidate.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorAssign.h	[]	[]
/src/rdkit/Code/Demos/boost/numpy/linalg.cpp	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp	[]	[]
/src/rdkit/Code/GraphMol/FragCatalog/FragCatGenerator.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawTextFT.h	[]	[]
/src/eigen/bench/sparse_cholesky.cpp	[]	[]
/src/eigen/Eigen/src/Core/MathFunctionsImpl.h	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp	[]	[]
/src/eigen/blas/common.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/test/sparse_extra.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/Node.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/PeriodicTable.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/Eigen/src/Cholesky/LLT.h	[]	[]
/src/eigen/unsupported/Eigen/src/SparseExtra/BlockSparseMatrix.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/Eigen/src/Core/util/BlasUtil.h	[]	[]
/src/rdkit/Code/GraphMol/SLNParse/SLNAttribs.h	[]	[]
/src/eigen/Eigen/src/Core/VectorwiseOp.h	[]	[]
/src/rdkit/Code/DistGeom/Wrap/DistGeom.cpp	[]	[]
/src/eigen/test/matrix_cwise.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/testAUTOCORR3D.cpp	[]	[]
/src/eigen/unsupported/test/idrstabl.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawTextCairo.cpp	[]	[]
/src/eigen/test/diagonal_matrix_variadic_ctor.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DUtils.cpp	[]	[]
/src/rdkit/Code/GraphMol/SmilesParse/SmilesWrite.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/FMCS/Seed.h	[]	[]
/src/eigen/Eigen/src/ThreadPool/NonBlockingThreadPool.h	[]	[]
/src/rdkit/Code/Geometry/Grid3D.h	[]	[]
/src/eigen/test/adjoint.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/IterativeSolvers/IDRS.h	[]	[]
/src/rdkit/Code/GraphMol/Deprotect/Deprotect.cpp	[]	[]
/src/eigen/bench/btl/libs/tvmet/tvmet_interface.hh	[]	[]
/src/eigen/test/main.h	[]	[]
/src/rdkit/Code/SimDivPickers/testPickers.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/FileParsers.h	[]	[]
/src/rdkit/Code/DistGeom/FourthDimContribs.h	[]	[]
/src/eigen/Eigen/src/Core/products/GeneralBlockPanelKernel.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp	[]	[]
/src/eigen/doc/examples/class_FixedReshaped.cpp	[]	[]
/src/eigen/blas/f2c/ztbmv.c	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/DCLV.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.cpp	[]	[]
/src/rdkit/Code/RDStreams/streams.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/CDXMLParser.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/test/zerosized.cpp	[]	[]
/src/eigen/unsupported/test/autodiff_scalar.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_forced_eval.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h	[]	[]
/src/eigen/bench/btl/actions/action_cholesky.hh	[]	[]
/src/eigen/unsupported/test/NonLinearOptimization.cpp	[]	[]
/src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDMolImpl.h	[]	[]
/src/rdkit/External/INCHI-API/Wrap/pyInchi.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/StructChecker/Tautomer.cpp	[]	[]
/src/eigen/demos/mix_eigen_and_c/binary_library.cpp	[]	[]
/src/eigen/test/geo_orthomethods.cpp	[]	[]
/src/rdkit/Code/DataStructs/BitVect.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/testPCS.cpp	[]	[]
/src/eigen/test/product_symm.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearch_details.cpp	[]	[]
/src/rdkit/Code/Demos/boost/EBV_err/wrapA.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_lvalue.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DJS.h	[]	[]
/src/eigen/demos/opengl/gpuhelper.h	[]	[]
/src/rdkit/Code/GraphMol/MarvinParse/MarvinParser.h	[]	[]
/src/eigen/test/hessenberg.cpp	[]	[]
/src/eigen/test/solverbase.h	[]	[]
/src/eigen/bench/btl/data/regularize.cxx	[]	[]
/src/eigen/Eigen/src/Core/arch/NEON/UnaryFunctors.h	[]	[]
/src/eigen/Eigen/src/SuperLUSupport/SuperLUSupport.h	[]	[]
/src/eigen/Eigen/src/SparseCore/AmbiVector.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorLayoutSwap.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawTextSVG.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/Priority.h	[]	[]
/src/eigen/test/nestbyvalue.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/Wrap/TopologicalTorsionWrapper.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/ChiralityOps.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/Wrap/rdCIPLabeler.cpp	[]	[]
/src/rdkit/Code/ForceField/ForceField.h	[]	[]
/src/eigen/blas/f2c/zhbmv.c	[]	[]
/src/rdkit/Code/GraphMol/testPickler.cpp	[]	[]
/src/rdkit/Code/GraphMol/Bond.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/Eigen/src/SVD/SVDBase.h	[]	[]
/src/rdkit/Code/GraphMol/Substruct/SubstructMatch.h	[]	[]
/src/eigen/Eigen/src/ThreadPool/EventCount.h	[]	[]
/src/rdkit/External/YAeHMOP/EHTTools.h	[]	[]
/src/rdkit/Code/GraphMol/Subgraphs/test2.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/rules/Rule4b.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp	[]	[]
/src/rdkit/Code/Numerics/Alignment/Wrap/rdAlignment.cpp	[]	[]
/src/eigen/bench/btl/generic_bench/timers/STL_perf_analyzer.hh	[]	[]
/src/eigen/unsupported/Eigen/src/IterativeSolvers/GMRES.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_convolution_sycl.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/NEON/Complex.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/Qt/DrawTextFTQt.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/SYCL/InteropHeaders.h	[]	[]
/src/eigen/test/resize.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/Reaction.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/test/cxx11_tensor_map.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/SVGParser.cpp	[]	[]
/src/eigen/test/schur_real.cpp	[]	[]
/src/rdkit/Code/GraphMol/NontetrahedralStereo.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/test/qr_fullpivoting.cpp	[]	[]
/src/rdkit/Code/GraphMol/testChirality.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/AVX512/PacketMath.h	[]	[]
/src/eigen/test/vectorwiseop.cpp	[]	[]
/src/eigen/bench/benchVecAdd.cpp	[]	[]
/src/eigen/Eigen/src/QR/ColPivHouseholderQR_LAPACKE.h	[]	[]
/src/rdkit/Code/Demos/RDKit/Basement/xpcom/IRDKit.h	[]	[]
/src/eigen/unsupported/Eigen/src/Polynomials/Companion.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorInflation.h	[]	[]
/src/rdkit/Code/SimDivPickers/DistPicker.cpp	[]	[]
/src/rdkit/Code/Geometry/UniformGrid3D.cpp	[]	[]
/src/rdkit/External/GA/ga/Chromosome.cpp	[]	[]
/src/rdkit/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp	[]	[]
/src/rdkit/Code/GraphMol/FMCS/MatchTable.h	[]	[]
/src/rdkit/Code/GraphMol/StereoGroup.h	[]	[]
/src/eigen/Eigen/src/Core/arch/AVX512/GemmKernel.h	[]	[]
/src/eigen/doc/special_examples/Tutorial_sparse_example_details.cpp	[]	[]
/src/rdkit/Code/GraphMol/Canon.h	[]	[]
/src/rdkit/Code/DataStructs/DatastructsException.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_layout_swap_sycl.cpp	[]	[]
/src/eigen/Eigen/src/Core/util/Serializer.h	[]	[]
/src/eigen/test/constexpr.cpp	[]	[]
/src/rdkit/Code/DataManip/MetricMatrixCalc/MetricFuncs.h	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupGa.cpp	[]	[]
/src/rdkit/Code/RDGeneral/ConcurrentQueue.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/blas/f2c/dspmv.c	[]	[]
/src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp	[]	[]
/src/eigen/test/svd_fill.h	[]	[]
/src/rdkit/Code/RDGeneral/StreamOps.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/StructChecker/StructureFlags.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/MORSE.cpp	[]	[]
/src/rdkit/Code/ML/Cluster/Murtagh/Clustering.cpp	[]	[]
/src/rdkit/Code/DataStructs/RealValueVect.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/AutoDiff/CoherentPadOp.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/Eigen/src/IterativeSolvers/IDRSTABL.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.cpp	[]	[]
/src/rdkit/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp	[]	[]
/src/eigen/test/stl_iterators.cpp	[]	[]
/src/rdkit/Code/GraphMol/Resonance.h	[]	[]
/src/eigen/test/sparse_vector.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/AtomPairGenerator.h	[]	[]
/src/rdkit/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_executor.cpp	[]	[]
/src/eigen/test/dynalloc.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/TDTMolSupplier.cpp	[]	[]
/src/eigen/test/pastix_support.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/MemoryMappedFileReader.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/MolData3Ddescriptors.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_striding_sycl.cpp	[]	[]
/src/rdkit/Code/GraphMol/SmilesParse/SmartsWrite.cpp	[]	[]
/src/rdkit/Code/GraphMol/FindRings.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/Eigen/src/Polynomials/PolynomialUtils.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_ifft.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.cpp	[]	[]
/src/rdkit/Code/GraphMol/cptest.cpp	[]	[]
/src/rdkit/Code/RDBoost/list_indexing_suite.hpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/Demos/boost/cross_module/mods.h	[]	[]
/src/eigen/test/ref.cpp	[]	[]
/src/eigen/test/permutationmatrices.cpp	[]	[]
/src/rdkit/Code/GraphMol/GenericGroups/generic_tests.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/SpecialFunctions/SpecialFunctionsPacketMath.h	[]	[]
/src/eigen/Eigen/src/Core/arch/GPU/Tuple.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/Eigen/src/Splines/Spline.h	[]	[]
/src/rdkit/Code/GraphMol/Substruct/ullmann.hpp	[]	[]
/src/rdkit/Code/SimDivPickers/Wrap/MaxMinPicker.cpp	[]	[]
/src/rdkit/Code/GraphMol/ConjugHybrid.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/catch_chirality.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/ReactionPickler.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.cpp	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupDecompData.cpp	[]	[]
/src/rdkit/Code/Demos/boost/smartPtrsAndIters/module.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/RascalMCES/RascalClusterOptions.h	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupDecompJSONParsers.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/EEM.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_dimension.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Normalize.h	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_device_sycl.cpp	[]	[]
/src/eigen/Eigen/src/SparseLU/SparseLU_pruneL.h	[]	[]
/src/rdkit/Code/GraphMol/memtest1.cpp	[]	[]
/src/rdkit/Code/GraphMol/ReducedGraphs/test1.cpp	[]	[]
/src/eigen/Eigen/src/Core/CwiseUnaryView.h	[]	[]
/src/eigen/bench/perf_monitoring/gemm_common.h	[]	[]
/src/rdkit/Code/ChemicalFeatures/FreeChemicalFeature.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/Qt/DrawTextQt.cpp	[]	[]
/src/eigen/Eigen/src/Core/StlIterators.h	[]	[]
/src/eigen/Eigen/src/LU/InverseImpl.h	[]	[]
/src/eigen/unsupported/test/bicgstabl.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DSVG.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/CoulombMat.cpp	[]	[]
/src/eigen/bench/btl/libs/STL/STL_interface.hh	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/FingerprintUtil.cpp	[]	[]
/src/eigen/Eigen/src/Core/PartialReduxEvaluator.h	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseCwiseBinaryOp.h	[]	[]
/src/eigen/test/array_cwise.cpp	[]	[]
/src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDMolSupplierImpl.cpp	[]	[]
/src/rdkit/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h	[]	[]
/src/rdkit/Code/GraphMol/Abbreviations/Wrap/rdAbbreviations.cpp	[]	[]
/src/eigen/Eigen/src/Geometry/AlignedBox.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/MolCatalog/MolCatalogEntry.cpp	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.h	[]	[]
/src/rdkit/Code/GraphMol/FragCatalog/FragCatParams.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/CIPLabeler.h	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.h	[]	[]
/src/rdkit/Code/GraphMol/sanitTest.cpp	[]	[]
/src/eigen/test/gpu_test_helper.h	[]	[]
/src/eigen/Eigen/src/Core/ForceAlignedAccess.h	[]	[]
/src/eigen/test/pardiso_support.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/MorganGenerator.h	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/Node.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DCairo.h	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseTriangularView.h	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/configs/Sp2Bond.h	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/rules/Rule4a.cpp	[]	[]
/src/eigen/test/sparse.h	[]	[]
/src/rdkit/Code/ForceField/MMFF/StretchBend.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/Eigenvalues/ArpackSelfAdjointEigenSolver.h	[]	[]
/src/eigen/doc/examples/class_FixedVectorBlock.cpp	[]	[]
/src/rdkit/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp	[]	[]
/src/rdkit/Code/ForceField/UFF/Inversions.cpp	[]	[]
/src/rdkit/Code/Features/Feature.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/TensorSymmetry/Symmetry.h	[]	[]
/src/rdkit/Code/GraphMol/MolInteractionFields/MIFDescriptors.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/AVX512/Complex.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorReduction.h	[]	[]
/src/rdkit/Code/ChemicalFeatures/Wrap/FreeChemicalFeature.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorFFT.h	[]	[]
/src/rdkit/Code/MinimalLib/common_defs.h	[]	[]
/src/eigen/Eigen/src/UmfPackSupport/UmfPackSupport.h	[]	[]
/src/rdkit/Code/GraphMol/SubstanceGroup.h	[]	[]
/src/eigen/test/constructor.cpp	[]	[]
/src/eigen/test/eigensolver_generic.cpp	[]	[]
/src/eigen/test/redux.cpp	[]	[]
/src/rdkit/Code/Demos/RDKit/Basement/TemplEnum/TemplEnumTools.cpp	[]	[]
/src/rdkit/Code/GraphMol/Depictor/Basement/DepictorDLL.cpp	[]	[]
/src/eigen/test/dense_storage.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/PBF.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/Crippen.cpp	[]	[]
/src/eigen/test/AnnoyingScalar.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/Eigen/src/AutoDiff/AutoDiffVector.h	[]	[]
/src/eigen/unsupported/test/kronecker_product.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_volume_patch.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolOps.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/External/GA/ga/LinkedPopLinearSel.h	[]	[]
/src/rdkit/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.cpp	[]	[]
/src/rdkit/Code/GraphMol/SLNParse/test.cpp	[]	[]
/src/eigen/bench/btl/actions/action_trisolve_matrix.hh	[]	[]
/src/eigen/test/geo_hyperplane.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorRoll.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.h	[]	[]
/src/rdkit/Code/Query/LessEqualQuery.h	[]	[]
/src/rdkit/Code/RDGeneral/RDLog.cpp	[]	[]
/src/eigen/Eigen/src/SparseLU/SparseLU_SupernodalMatrix.h	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/test1.cpp	[]	[]
/src/rdkit/Code/RDBoost/python_streambuf.h	[]	[]
/src/eigen/demos/opengl/quaternion_demo.h	[]	[]
/src/eigen/Eigen/src/Core/arch/AVX512/TypeCasting.h	[]	[]
/src/eigen/bench/dense_solvers.cpp	[]	[]
/src/eigen/unsupported/test/NNLS.cpp	[]	[]
/src/rdkit/Code/GraphMol/FragCatalog/Wrap/FragCatGenerator.cpp	[]	[]
/src/eigen/test/product_trsolve.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/file_parsers_catch.cpp	[]	[]
/src/rdkit/Code/DataStructs/Wrap/wrap_SparseBV.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolCatalog/MolCatalogEntry.h	[]	[]
/src/eigen/Eigen/src/Core/SelfCwiseBinaryOp.h	[]	[]
/src/rdkit/Code/GraphMol/SmilesParse/SmilesParse.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc']	[]
/src/eigen/Eigen/src/Core/util/ConfigureVectorization.h	[]	[]
/src/eigen/unsupported/Eigen/src/SpecialFunctions/SpecialFunctionsFunctors.h	[]	[]
/src/eigen/bench/btl/actions/action_rot.hh	[]	[]
/src/rdkit/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorScanSycl.h	[]	[]
/src/eigen/blas/f2c/sspmv.c	[]	[]
/src/rdkit/Code/GraphMol/DistGeomHelpers/EmbedderUtils.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorCustomOp.h	[]	[]
/src/eigen/Eigen/src/Core/MatrixBase.h	[]	[]
/src/eigen/unsupported/Eigen/src/KroneckerProduct/KroneckerTensorProduct.h	[]	[]
/src/rdkit/Code/DistGeom/BoundsMatrix.h	[]	[]
/src/eigen/test/packetmath.cpp	[]	[]
/src/rdkit/Code/GraphMol/SmilesParse/SmilesParseOps.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/ROMol.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/DataStructs/ExplicitBitVect.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawTextFTSVG.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_custom_index.cpp	[]	[]
/src/eigen/Eigen/src/Core/util/IntegralConstant.h	[]	[]
/src/eigen/Eigen/src/Core/IndexedView.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorIO.h	[]	[]
/src/rdkit/Code/GraphMol/Aromaticity.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/test/rvalue_types.cpp	[]	[]
/src/rdkit/Code/JavaWrappers/DiversityPick.h	[]	[]
/src/rdkit/External/INCHI-API/test.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/RDGeneral/RDLog.h	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.cpp	[]	[]
/src/rdkit/Code/GraphMol/testMolBundle.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp	[]	[]
/src/rdkit/Code/ForceField/PositionConstraint.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawTextFTCairo.h	[]	[]
/src/rdkit/Code/GraphMol/Wrap/EditableMol.cpp	[]	[]
/src/eigen/test/stdlist.cpp	[]	[]
/src/rdkit/Code/GraphMol/Subgraphs/SubgraphUtils.cpp	[]	[]
/src/rdkit/Code/MinimalLib/cffi_test.c	[]	[]
/src/rdkit/Code/GraphMol/GeneralizedSubstruct/XQMol.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/Eigen/CXX11/src/TensorSymmetry/DynamicSymmetry.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.cpp	[]	[]
/src/eigen/doc/examples/class_FixedBlock.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/MolSupplier.h	[]	[]
/src/eigen/bench/btl/libs/eigen3/eigen3_interface.hh	[]	[]
/src/rdkit/Code/ForceField/MMFF/BondStretch.h	[]	[]
/src/rdkit/Code/Demos/boost/EBV_err/classA.h	[]	[]
/src/rdkit/Code/GraphMol/itertest.cpp	[]	[]
/src/rdkit/Code/GraphMol/GeneralizedSubstruct/TextIO.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/test/cxx11_tensor_contract_sycl.cpp	[]	[]
/src/rdkit/Code/SimDivPickers/HierarchicalClusterPicker.cpp	[]	[]
/src/eigen/Eigen/src/SparseLU/SparseLU_kernel_bmod.h	[]	[]
/src/eigen/Eigen/src/Core/Dot.h	[]	[]
/src/eigen/Eigen/src/SVD/JacobiSVD.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_reverse_sycl.cpp	[]	[]
/src/eigen/Eigen/src/ThreadPool/Barrier.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/test/CustomComplex.h	[]	[]
/src/eigen/Eigen/src/Core/arch/SSE/MathFunctions.h	[]	[]
/src/rdkit/Code/Demos/boost/EBV_err/moduleB.cpp	[]	[]
/src/eigen/test/geo_homogeneous.cpp	[]	[]
/src/rdkit/Code/GraphMol/FragCatalog/FragCatalogUtils.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_notification.cpp	[]	[]
/src/rdkit/Code/ForceField/catch_tests.cpp	[]	[]
/src/rdkit/Code/RDGeneral/hash/detail/float_functions.hpp	[]	[]
/src/rdkit/Code/ForceField/MMFF/BondStretch.cpp	[]	[]
/src/rdkit/Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp	[]	[]
/src/rdkit/Code/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/SmilesMolSupplier.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/IterativeSolvers/DGMRES.h	[]	[]
/src/eigen/test/sizeof.cpp	[]	[]
/src/rdkit/Code/GraphMol/RingInfo.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/FileParsers/MolSGroupWriting.h	[]	[]
/src/rdkit/Code/GraphMol/GeneralizedSubstruct/catch_tests.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixLogarithm.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_sugar.cpp	[]	[]
/src/rdkit/Code/GraphMol/SmilesParse/SmilesWrite.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/AVX512/TypeCastingFP16.h	[]	[]
/src/eigen/unsupported/Eigen/src/IterativeSolvers/MINRES.h	[]	[]
/src/eigen/Eigen/src/SparseCore/CompressedStorage.h	[]	[]
/src/rdkit/Code/GraphMol/Wrap/Atom.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_scan.cpp	[]	[]
/src/eigen/Eigen/src/Householder/Householder.h	[]	[]
/src/rdkit/Code/GraphMol/MolInterchange/Writer.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/NEON/TypeCasting.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_forced_eval_sycl.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/SequenceParsers.cpp	[]	[]
/src/rdkit/Code/SimDivPickers/HierarchicalClusterPicker.h	[]	[]
/src/rdkit/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp	[]	[]
/src/eigen/Eigen/src/Core/util/SymbolicIndex.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorContractionGpu.h	[]	[]
/src/rdkit/Code/RDGeneral/hash/detail/hash_float.hpp	[]	[]
/src/rdkit/Code/GraphMol/Depictor/EmbeddedFrag.h	[]	[]
/src/eigen/blas/f2c/dsbmv.c	[]	[]
/src/rdkit/Code/GraphMol/MolEnumerator/MolEnumerator.h	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/CIPMol.h	[]	[]
/src/rdkit/Code/PgSQL/rdkit/cache.c	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/StructChecker/StructChecker.h	[]	[]
/src/rdkit/Code/GraphMol/Resonance.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorIndexList.h	[]	[]
/src/eigen/Eigen/src/Core/Map.h	[]	[]
/src/eigen/Eigen/src/Core/CommaInitializer.h	[]	[]
/src/rdkit/Code/GraphMol/PartialCharges/GasteigerCharges.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp	[]	[]
/src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/GeneralFileReader.h	[]	[]
/src/eigen/Eigen/src/Core/arch/AVX/PacketMath.h	[]	[]
/src/eigen/Eigen/src/Core/arch/HVX/PacketMath.h	[]	[]
/src/eigen/test/first_aligned.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DJS.cpp	[]	[]
/src/eigen/unsupported/doc/examples/MatrixFunction.cpp	[]	[]
/src/eigen/bench/eig33.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/SmilesMolSupplier.cpp	[]	[]
/src/rdkit/Code/Catalogs/CatalogParams.cpp	[]	[]
/src/eigen/Eigen/src/Core/TriangularMatrix.h	[]	[]
/src/rdkit/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp	[]	[]
/src/eigen/test/geo_alignedbox.cpp	[]	[]
/src/eigen/test/conjugate_gradient.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawTextFT.cpp	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolProcessing/MolProcessing.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp	[]	[]
/src/eigen/bench/quatmul.cpp	[]	[]
/src/rdkit/Code/GraphMol/Chirality.h	[]	[]
/src/eigen/Eigen/src/Geometry/EulerAngles.h	[]	[]
/src/rdkit/Code/Demos/RDKit/Basement/TemplEnum/TemplEnum.h	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseVector.h	[]	[]
/src/eigen/test/boostmultiprec.cpp	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseTranspose.h	[]	[]
/src/rdkit/Code/GraphMol/Wrap/MultithreadedSDMolSupplier.cpp	[]	[]
/src/rdkit/Code/GraphMol/MMPA/MMPA_UnitTest.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/DataStructs/Wrap/SparseIntVect.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/ReactionRunner.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawTextFTCairo.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawShape.cpp	[]	[]
/src/rdkit/Code/GraphMol/SmilesParse/cxsmiles_test.cpp	[]	[]
/src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.h	[]	[]
/src/eigen/test/denseLM.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorContractionSycl.h	[]	[]
/src/rdkit/Code/GraphMol/SanitException.h	[]	[]
/src/eigen/unsupported/test/gmres.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/SYCL/TypeCasting.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_inflation.cpp	[]	[]
/src/eigen/bench/bench_reverse.cpp	[]	[]
/src/eigen/Eigen/src/Core/NoAlias.h	[]	[]
/src/eigen/Eigen/src/Eigenvalues/GeneralizedEigenSolver.h	[]	[]
/src/eigen/test/array_for_matrix.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/DistGeomHelpers/Embedder.cpp	[]	[]
/src/rdkit/Code/Geometry/Wrap/UniformRealValueGrid3D.cpp	[]	[]
/src/eigen/Eigen/src/PaStiXSupport/PaStiXSupport.h	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/MultithreadedSmilesMolSupplier.cpp	[]	[]
/src/rdkit/Code/GraphMol/StereoGroup.cpp	[]	[]
/src/eigen/Eigen/src/Eigenvalues/SelfAdjointEigenSolver.h	[]	[]
/src/rdkit/Code/GraphMol/SmilesParse/CXSmilesOps.cpp	[]	[]
/src/rdkit/Code/GraphMol/RWMol.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/FileParsers/FileParserUtils.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/testFragment.cpp	[]	[]
/src/rdkit/Code/GraphMol/QueryOps.h	[]	[]
/src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixFunction.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/PgSQL/rdkit/adapter.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/MolEnumerator/LinkNode.cpp	[]	[]
/src/rdkit/Code/RDGeneral/RDProps.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/bench/spbench/spbenchstyle.h	[]	[]
/src/rdkit/Code/GraphMol/SLNParse/SLNAttribs.cpp	[]	[]
/src/rdkit/Code/Query/Query.h	[]	[]
/src/eigen/Eigen/src/Core/Visitor.h	[]	[]
/src/eigen/Eigen/src/Core/arch/SYCL/PacketMath.h	[]	[]
/src/eigen/Eigen/src/SparseCore/ConservativeSparseSparseProduct.h	[]	[]
/src/eigen/blas/f2c/srotm.c	[]	[]
/src/eigen/Eigen/src/SparseLU/SparseLU_pivotL.h	[]	[]
/src/rdkit/Code/GraphMol/MolTransforms/MolTransforms.h	[]	[]
/src/rdkit/Code/RDGeneral/hash/hash.hpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/blas/f2c/complexdots.c	[]	[]
/src/eigen/blas/f2c/stbmv.c	[]	[]
/src/rdkit/Code/GraphMol/Abbreviations/AbbreviationsUtils.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/ReactionWriter.cpp	[]	[]
/src/eigen/unsupported/test/polynomialutils.cpp	[]	[]
/src/eigen/test/rand.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/FilterCatalog/filtercatalogtest.cpp	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h	[]	[]
/src/rdkit/Code/Geometry/GridUtils.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/ZVector/PacketMath.h	[]	[]
/src/eigen/Eigen/src/Geometry/Rotation2D.h	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseUtil.h	[]	[]
/src/rdkit/Code/GraphMol/DetermineBonds/DetermineBonds.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Fragment.cpp	[]	[]
/src/eigen/Eigen/src/Core/products/TriangularMatrixVector.h	[]	[]
/src/eigen/Eigen/src/Core/arch/MSA/PacketMath.h	[]	[]
/src/rdkit/External/GA/util/Util.cpp	[]	[]
/src/eigen/test/SafeScalar.h	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/MolStandardize.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_random_sycl.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/PNGParser.h	[]	[]
/src/eigen/bench/sparse_product.cpp	[]	[]
/src/eigen/bench/benchBlasGemm.cpp	[]	[]
/src/eigen/Eigen/src/Core/PermutationMatrix.h	[]	[]
/src/rdkit/Code/GraphMol/FilterCatalog/FilterMatcherBase.h	[]	[]
/src/rdkit/Code/PgSQL/rdkit/bfp_op.c	[]	[]
/src/rdkit/Code/RDGeneral/types.h	[]	[]
/src/eigen/Eigen/src/Geometry/Transform.h	[]	[]
/src/rdkit/Code/GraphMol/FMCS/Test/testFMCS.cpp	[]	[]
/src/rdkit/Code/GraphMol/RascalMCES/RascalOptions.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/Qt/DrawTextQt.h	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.cpp	[]	[]
/src/eigen/Eigen/src/Core/util/Meta.h	[]	[]
/src/rdkit/Code/DataStructs/Wrap/wrap_helpers.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorRef.h	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/testMolWriter.cpp	[]	[]
/src/rdkit/Code/GraphMol/atomic_data.cpp	[]	[]
/src/rdkit/Code/Numerics/testMatrices.cpp	[]	[]
/src/rdkit/Code/DistGeom/DistViolationContribs.h	[]	[]
/src/rdkit/Code/GraphMol/FindStereo.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/FileParsers/testMolSupplier.cpp	[]	[]
/src/eigen/demos/opengl/camera.h	[]	[]
/src/rdkit/Code/GraphMol/molopstest.cpp	[]	[]
/src/rdkit/Code/DataManip/MetricMatrixCalc/Wrap/rdMetricMatrixCalc.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/AVX/Complex.h	[]	[]
/src/rdkit/Code/ForceField/MMFF/Params.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/test1.cpp	[]	[]
/src/rdkit/Code/GraphMol/FragCatalog/FragFPGenerator.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawTextNotFT.cpp	[]	[]
/src/rdkit/Code/GraphMol/MarvinParse/MarvinDefs.h	[]	[]
/src/eigen/test/assignment_threaded.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/ReactionPickler.h	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/USRDescriptor.cpp	[]	[]
/src/rdkit/Code/ML/InfoTheory/Wrap/BitCorrMatGenerator.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/SSE/Reductions.h	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorContractionBlocking.h	[]	[]
/src/rdkit/Code/GraphMol/Wrap/MaeMolSupplier.cpp	[]	[]
/src/eigen/Eigen/src/KLUSupport/KLUSupport.h	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/rules/SequenceRule.h	[]	[]
/src/rdkit/Code/ForceField/UFF/Inversions.h	[]	[]
/src/rdkit/Code/GraphMol/MolHash/Wrap/rdMolHash.cpp	[]	[]
/src/rdkit/Code/RDGeneral/hash/extensions.hpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/MolChemicalFeatures/testFeatures.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/SubstanceGroup.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_move.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/LevenbergMarquardt/LMpar.h	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp	[]	[]
/src/rdkit/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/BCUT.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/Eigen/src/Core/IO.h	[]	[]
/src/eigen/bench/benchmark-blocking-sizes.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/AltiVec/MatrixProductMMA.h	[]	[]
/src/rdkit/Code/GraphMol/AdjustQuery.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/TensorSymmetry/StaticSymmetry.h	[]	[]
/src/eigen/test/sycl_basic.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/AutoDiff/AutoDiffScalar.h	[]	[]
/src/rdkit/Code/GraphMol/FilterCatalog/Filters.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2D.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/DaylightParser.cpp	[]	[]
/src/eigen/Eigen/src/ThreadPool/CoreThreadPoolDevice.h	[]	[]
/src/eigen/test/simplicial_cholesky.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/props.hpp	[]	[]
/src/eigen/Eigen/src/Core/arch/GPU/PacketMath.h	[]	[]
/src/eigen/Eigen/src/Core/arch/Default/ConjHelper.h	[]	[]
/src/eigen/unsupported/Eigen/src/LevenbergMarquardt/LMqrsolv.h	[]	[]
/src/eigen/Eigen/src/Core/Matrix.h	[]	[]
/src/rdkit/Code/GraphMol/ShapeHelpers/ShapeEncoder.cpp	[]	[]
/src/rdkit/External/INCHI-API/inchi.h	[]	[]
/src/eigen/test/mixingtypes.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/DCLV.h	[]	[]
/src/rdkit/Code/GraphMol/Atropisomers.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/DistGeom/ChiralSet.h	[]	[]
/src/eigen/Eigen/src/Core/ProductEvaluators.h	[]	[]
/src/rdkit/Code/ForceField/Wrap/ForceField.cpp	[]	[]
/src/rdkit/Code/GraphMol/Substruct/SubstructMatch.cpp	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupCore.h	[]	[]
/src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupMatch.h	[]	[]
/src/rdkit/Code/Numerics/Alignment/AlignPoints.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/SVE/TypeCasting.h	[]	[]
/src/eigen/Eigen/src/Core/EigenBase.h	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_expr.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/Wrap/AtomPairWrapper.cpp	[]	[]
/src/eigen/test/stable_norm.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/NonLinearOptimization/fdjac1.h	[]	[]
/src/rdkit/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp	[]	[]
/src/rdkit/Code/PgSQL/rdkit/bfp_gin.c	[]	[]
/src/rdkit/Code/Geometry/Transform3D.cpp	[]	[]
/src/rdkit/Code/Geometry/UniformRealValueGrid3D.h	[]	[]
/src/eigen/test/fastmath.cpp	[]	[]
/src/rdkit/Code/GraphMol/RascalMCES/lap_a_la_scipy.cpp	[]	[]
/src/eigen/unsupported/test/cxx11_tensor_broadcasting.cpp	[]	[]
/src/eigen/Eigen/src/Core/Ref.h	[]	[]
/src/rdkit/Code/DataStructs/BitOps.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/DataStructs/BitVect.cpp	[]	[]
/src/rdkit/Code/DistGeom/ChiralViolationContribs.cpp	[]	[]
/src/eigen/Eigen/src/SparseCore/SparseCwiseUnaryOp.h	[]	[]
/src/eigen/Eigen/src/Core/arch/AVX512/PacketMathFP16.h	[]	[]
/src/rdkit/Code/ForceField/Wrap/PyForceField.h	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/Qt/MolDraw2DQt.cpp	[]	[]
/src/rdkit/Code/GraphMol/new_canon.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/MolInterchange/test1.cpp	[]	[]
/src/rdkit/Code/GraphMol/Descriptors/testGETAWAY.cpp	[]	[]
/src/eigen/Eigen/src/SparseLU/SparseLU_Utils.h	[]	[]
/src/rdkit/Code/GraphMol/FilterCatalog/FilterCatalogRunner.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/AVX512/MathFunctions.h	[]	[]
/src/eigen/Eigen/src/Core/arch/AVX512/MathFunctionsFP16.h	[]	[]
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/LONG_TEST_catch_tests.cpp	[]	[]
/src/eigen/test/eigensolver_complex.cpp	[]	[]
/src/eigen/scripts/eigen_gen_credits.cpp	[]	[]
/src/eigen/bench/btl/actions/action_matrix_matrix_product.hh	[]	[]
/src/eigen/unsupported/Eigen/src/AutoDiff/AutoDiffJacobian.h	[]	[]
/src/rdkit/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.cpp	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/PatternFingerprints.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/ReducedGraphs/ReducedGraphs.cpp	[]	[]
/src/rdkit/Code/ChemicalFeatures/FreeChemicalFeature.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/ForceField/MMFF/AngleBend.cpp	[]	[]
/src/rdkit/Code/GraphMol/MolDraw2D/DrawTextFTJS.cpp	[]	[]
/src/rdkit/Code/DataStructs/Wrap/wrap_Utils.cpp	[]	[]
/src/eigen/test/spqr_support.cpp	[]	[]
/src/eigen/doc/examples/CustomizingEigen_Inheritance.cpp	[]	[]
/src/rdkit/Code/DataStructs/MultiFPBReader.h	[]	[]
/src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp	[]	[]
/src/eigen/Eigen/src/Core/CoreEvaluators.h	[]	[]
/src/rdkit/Code/Catalogs/Catalog.h	[]	[]
/src/rdkit/Code/GraphMol/SLNParse/Wrap/rdSLNParse.cpp	[]	[]
/src/eigen/Eigen/src/Core/Select.h	[]	[]
/src/eigen/test/nesting_ops.cpp	[]	[]
/src/rdkit/External/pubchem_shape/Wrap/cshapealign.cpp	[]	[]
/src/rdkit/Code/ForceField/ForceField.cpp	[]	[]
/src/eigen/test/sparseLM.cpp	[]	[]
/src/eigen/Eigen/src/Geometry/Scaling.h	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp	[]	[]
/src/rdkit/Code/GraphMol/ChemReactions/SanitizeRxn.cpp	[]	[]
/src/eigen/test/bug1213.cpp	[]	[]
/src/eigen/doc/examples/matrixfree_cg.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/test/stdlist_overload.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/rdkit/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp	[]	[]
/src/eigen/unsupported/Eigen/src/NonLinearOptimization/HybridNonLinearSolver.h	[]	[]
/src/eigen/unsupported/Eigen/src/NonLinearOptimization/lmpar.h	[]	[]
/src/rdkit/Code/RDGeneral/Exceptions.h	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/blas/level1_cplx_impl.h	[]	[]
/src/rdkit/Code/ForceField/UFF/Inversion.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/Chirality.cpp	[]	[]
/src/eigen/test/geo_quaternion.cpp	[]	[]
/src/rdkit/Code/DataManip/MetricMatrixCalc/MetricMatrixCalc.h	[]	[]
/src/eigen/test/float_conversion.cpp	[]	[]
/src/rdkit/Code/DistGeom/ChiralViolationContribs.h	[]	[]
/src/eigen/Eigen/src/Core/Stride.h	[]	[]
/src/eigen/test/sparse_solvers.cpp	[]	[]
/src/rdkit/Code/GraphMol/Wrap/Mol.cpp	[]	[]
/src/rdkit/Code/GraphMol/CIPLabeler/CIPLabeler.cpp	[]	[]
/src/eigen/Eigen/src/Core/arch/MSA/Complex.h	[]	[]
/src/eigen/bench/btl/actions/action_ata_product.hh	[]	[]
/src/rdkit/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.h	[]	[]
/src/rdkit/Code/GraphMol/Atom.h	[]	[]
/src/eigen/Eigen/src/SparseLU/SparseLU_relax_snode.h	[]	[]
/src/rdkit/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.cpp	[]	[]
/src/rdkit/Code/GraphMol/TautomerQuery/TautomerQuery.cpp	['rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc', 'rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc']	[]
/src/eigen/Eigen/src/Core/SolveTriangular.h	[]	[]
/src/eigen/test/nomalloc.cpp	[]	[]
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorRandom.h	[]	[]
/src/eigen/bench/btl/generic_bench/timers/portable_perf_analyzer_old.hh	[]	[]
/src/rdkit/Code/GraphMol/MolStandardize/Tautomer.h	[]	[]

Directories in report

Directory
/src/eigen/unsupported/Eigen/src/AutoDiff/
/src/rdkit/Code/GraphMol/MolStandardize/TransformCatalog/
/src/rdkit/Code/Demos/boost/smartPtrsAndIters/
/src/rdkit/Code/GraphMol/MolStandardize/AcidBaseCatalog/
/src/eigen/doc/special_examples/
/src/rdkit/Code/Geometry/Wrap/
/src/rdkit/Code/GraphMol/FilterCatalog/
/src/rdkit/Code/PgSQL/rdkit/
/src/rdkit/Code/GraphMol/Descriptors/
/src/rdkit/Code/DistGeom/
/src/eigen/bench/btl/libs/ublas/
/src/rdkit/Code/GraphMol/Depictor/Basement/
/src/eigen/Eigen/src/Core/arch/LSX/
/src/rdkit/Code/GraphMol/CIPLabeler/Wrap/
/src/rdkit/Code/Demos/boost/overloads/
/src/rdkit/Code/GraphMol/Deprotect/
/src/rdkit/Code/GraphMol/Subgraphs/
/src/rdkit/External/GA/ga/
/src/rdkit/Code/Demos/RDKit/GettingStarted/
/src/rdkit/Code/Fuzz/include/fuzzer/
/src/eigen/unsupported/Eigen/src/LevenbergMarquardt/
/src/rdkit/Code/ForceField/Wrap/
/src/eigen/unsupported/Eigen/src/Polynomials/
/src/rdkit/Code/RDBoost/Wrap/
/src/rdkit/Code/GraphMol/Deprotect/Wrap/
/src/eigen/Eigen/src/SparseCholesky/
/src/rdkit/Code/GraphMol/MolStandardize/FragmentCatalog/
/src/rdkit/Code/GraphMol/GeneralizedSubstruct/Wrap/
/src/eigen/Eigen/src/LU/
/src/rdkit/Code/GraphMol/EnumerateStereoisomers/Wrap/
/src/rdkit/Code/GraphMol/MolInteractionFields/Wrap/
/src/eigen/Eigen/src/OrderingMethods/
/src/rdkit/Code/Demos/boost/EBV_err/
/src/eigen/Eigen/src/misc/
/src/rdkit/Code/SimDivPickers/
/src/eigen/Eigen/src/QR/
/src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/
/src/eigen/Eigen/src/Householder/
/src/rdkit/Code/GraphMol/CIPLabeler/
/src/rdkit/Contrib/ConformerParser/Wrap/
/src/rdkit/Code/GraphMol/ShapeHelpers/
/src/rdkit/Code/GraphMol/CIPLabeler/configs/
/src/rdkit/External/GA/util/
/src/rdkit/Code/GraphMol/MolDraw2D/Wrap/
/src/rdkit/Code/GraphMol/MolStandardize/TautomerCatalog/
/src/rdkit/External/YAeHMOP/
/src/rdkit/Code/Numerics/EigenSolvers/
/src/rdkit/Code/GraphMol/Basement/FeatTrees/
/src/eigen/Eigen/src/Core/arch/AVX512/
/src/eigen/Eigen/src/Core/arch/ZVector/
/src/rdkit/Code/GraphMol/Abbreviations/Wrap/
/src/eigen/bench/btl/libs/eigen2/
/src/eigen/Eigen/src/IterativeLinearSolvers/
/src/rdkit/Code/GraphMol/MMPA/Wrap/
/src/rdkit/Code/GraphMol/Substruct/
/src/eigen/doc/snippets/
/src/eigen/unsupported/Eigen/src/FFT/
/src/eigen/Eigen/src/PaStiXSupport/
/src/eigen/unsupported/Eigen/src/SpecialFunctions/
/src/eigen/unsupported/test/
/src/eigen/Eigen/src/SPQRSupport/
/src/eigen/bench/btl/generic_bench/static/
/src/eigen/Eigen/src/Core/arch/MSA/
/src/rdkit/Code/GraphMol/ForceFieldHelpers/CrystalFF/
/src/rdkit/Code/GraphMol/Fingerprints/
/src/rdkit/Code/RDBoost/
/src/eigen/bench/btl/libs/blitz/
/src/rdkit/Code/GraphMol/MarvinParse/
/src/rdkit/Code/GraphMol/MolDraw2D/
/src/rdkit/Code/GraphMol/MolTransforms/
/src/eigen/bench/btl/libs/STL/
/src/rdkit/Code/GraphMol/FileParsers/
/src/rdkit/Code/GraphMol/MMPA/
/src/rdkit/Code/RDGeneral/hash/detail/
/src/eigen/Eigen/src/MetisSupport/
/src/rdkit/Code/Demos/RDKit/Basement/TemplEnum/
/src/rdkit/Code/GraphMol/MolProcessing/Wrap/
/src/eigen/Eigen/src/KLUSupport/
/src/rdkit/Code/GraphMol/ForceFieldHelpers/
/src/rdkit/Code/GraphMol/MolStandardize/Wrap/
/src/eigen/unsupported/bench/
/src/rdkit/Code/GraphMol/MolInterchange/Wrap/
/src/rdkit/Code/GraphMol/FMCS/Wrap/
/src/eigen/bench/btl/generic_bench/
/src/rdkit/Code/Geometry/
/src/rdkit/Code/GraphMol/MolAlign/
/src/eigen/Eigen/src/Core/products/
/src/eigen/bench/btl/generic_bench/timers/
/src/rdkit/Code/GraphMol/RascalMCES/Wrap/
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/
/src/rdkit/Code/DataStructs/
/src/rdkit/Code/GraphMol/ChemReactions/Wrap/
/src/eigen/bench/btl/generic_bench/init/
/src/rdkit/Code/GraphMol/MolTransforms/Wrap/
/src/rdkit/Code/Demos/RDKit/Basement/Minimize/
/src/eigen/Eigen/src/SparseLU/
/src/rdkit/Code/GraphMol/DetermineBonds/
/src/rdkit/Code/Numerics/Alignment/Wrap/
/src/eigen/Eigen/src/Cholesky/
/src/eigen/Eigen/src/Geometry/
/src/eigen/Eigen/src/SVD/
/src/rdkit/Code/GraphMol/FragCatalog/
/src/rdkit/External/INCHI-API/
/src/eigen/Eigen/src/Core/arch/GPU/
/src/rdkit/Code/GraphMol/RascalMCES/
/src/eigen/bench/btl/generic_bench/utils/
/src/rdkit/Code/GraphMol/MolAlign/Wrap/
/src/rdkit/Code/GraphMol/StructChecker/
/src/eigen/Eigen/src/Core/arch/NEON/
/src/rdkit/Code/RDGeneral/hash/
/src/rdkit/Code/GraphMol/ChemReactions/Enumerate/
/src/eigen/doc/examples/
/src/eigen/demos/opengl/
/src/rdkit/Code/ML/Cluster/Murtagh/
/src/rdkit/Code/ChemicalFeatures/
/src/rdkit/Code/MinimalLib/
/src/eigen/bench/perf_monitoring/
/src/rdkit/Code/Demos/boost/python_objs/
/src/rdkit/Code/GraphMol/ShapeHelpers/Wrap/
/src/rdkit/Code/GraphMol/MolEnumerator/
/src/rdkit/Code/Catalogs/
/src/rdkit/Code/GraphMol/RGroupDecomposition/
/src/rdkit/Code/GraphMol/MolCatalog/Wrap/
/src/eigen/unsupported/Eigen/CXX11/src/TensorSymmetry/
/src/rdkit/Code/GraphMol/ScaffoldNetwork/Wrap/
/src/eigen/Eigen/src/AccelerateSupport/
/src/eigen/bench/btl/libs/tvmet/
/src/rdkit/Code/GraphMol/MolChemicalFeatures/Wrap/
/src/eigen/bench/tensors/
/src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/
/src/rdkit/Code/Demos/boost/cross_module/
/src/rdkit/Code/GraphMol/ChemReactions/
/src/rdkit/Code/GraphMol/MolInterchange/
/src/rdkit/Code/GraphMol/PartialCharges/
/src/rdkit/Code/Demos/RDKit/Basement/xpcom/
/src/eigen/bench/btl/libs/eigen3/
/src/rdkit/External/pubchem_shape/
/src/rdkit/Code/GraphMol/Depictor/Wrap/
/src/eigen/unsupported/Eigen/CXX11/src/Tensor/
/src/rdkit/Code/JavaWrappers/
/src/rdkit/Code/GraphMol/SLNParse/Wrap/
/src/rdkit/Code/RDStreams/
/src/rdkit/Code/ForceField/UFF/
/src/eigen/Eigen/src/Jacobi/
/src/eigen/Eigen/src/UmfPackSupport/
/src/rdkit/Code/Query/
/src/eigen/unsupported/Eigen/src/KroneckerProduct/
/src/rdkit/Code/GraphMol/FMCS/Test/
/src/rdkit/Code/DataManip/MetricMatrixCalc/Wrap/
/src/rdkit/Code/ML/InfoTheory/
/src/eigen/bench/btl/libs/BLAS/
/src/rdkit/Code/GraphMol/ScaffoldNetwork/
/src/rdkit/Code/Numerics/Alignment/
/src/rdkit/Code/GraphMol/Abbreviations/
/src/eigen/Eigen/src/Core/arch/SYCL/
/src/eigen/Eigen/src/SparseCore/
/src/rdkit/Code/GraphMol/Wrap/
/src/eigen/unsupported/Eigen/src/NonLinearOptimization/
/src/rdkit/Code/GraphMol/ReducedGraphs/
/src/eigen/Eigen/src/Core/functors/
/src/rdkit/Code/RDGeneral/
/src/eigen/Eigen/src/SparseQR/
/src/rdkit/Code/GraphMol/DetermineBonds/Wrap/
/src/rdkit/External/CoordGen/Wrap/
/src/eigen/blas/f2c/
/src/rdkit/Code/ML/InfoTheory/Wrap/
/src/rdkit/Code/Numerics/Optimizer/
/src/rdkit/Code/GraphMol/SLNParse/
/src/rdkit/Code/GraphMol/ReducedGraphs/Wrap/
/src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/
/src/eigen/unsupported/Eigen/src/Splines/
/src/eigen/lapack/
/src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/
/src/rdkit/Code/GraphMol/MolEnumerator/Wrap/
/src/rdkit/Code/GraphMol/FragCatalog/Wrap/
/src/rdkit/Code/GraphMol/ChemTransforms/
/src/rdkit/Code/Demos/RDKit/MPI/
/src/eigen/unsupported/Eigen/src/IterativeSolvers/
/src/eigen/unsupported/Eigen/src/EulerAngles/
/src/rdkit/External/CoordGen/
/src/eigen/unsupported/Eigen/src/Eigenvalues/
/src/rdkit/Code/GraphMol/TautomerQuery/
/src/rdkit/Code/SimDivPickers/Wrap/
/src/eigen/Eigen/src/Core/arch/AVX/
/src/rdkit/Code/GraphMol/MolDraw2D/Qt/
/src/eigen/Eigen/src/Core/
/src/rdkit/Code/GraphMol/SmilesParse/
/src/eigen/Eigen/src/StlSupport/
/src/eigen/Eigen/src/CholmodSupport/
/src/eigen/blas/
/src/rdkit/Code/Demos/sqlite/
/src/eigen/bench/btl/libs/blaze/
/src/rdkit/External/INCHI-API/Wrap/
/src/rdkit/Code/GraphMol/GeneralizedSubstruct/
/src/eigen/demos/mix_eigen_and_c/
/src/eigen/Eigen/src/Core/arch/HVX/
/src/rdkit/Contrib/PBF/
/src/rdkit/Code/Features/
/src/rdkit/Code/GraphMol/Fingerprints/Wrap/
/src/rdkit/Code/Demos/RDKit/Draw/
/src/rdkit/Code/GraphMol/DistGeomHelpers/Wrap/
/src/rdkit/External/AvalonTools/Wrap/
/src/eigen/Eigen/src/Core/arch/SSE/
/src/rdkit/Code/GraphMol/MolDraw2D/Qt/Wrap/
/src/rdkit/Code/DistGeom/Wrap/
/src/rdkit/Code/DataManip/MetricMatrixCalc/
/src/eigen/unsupported/Eigen/src/MatrixFunctions/
/src/rdkit/Code/ForceField/
/src/rdkit/Code/ChemicalFeatures/Wrap/
/src/rdkit/Code/GraphMol/
/src/rdkit/Code/GraphMol/MolHash/Wrap/
/src/rdkit/Code/GraphMol/SynthonSpaceSearch/Wrap/
/src/rdkit/Code/Fuzz/
/src/rdkit/Code/GraphMol/Descriptors/Wrap/
/src/rdkit/Code/GraphMol/DistGeomHelpers/
/src/rdkit/Code/GraphMol/EnumerateStereoisomers/
/src/eigen/unsupported/Eigen/src/BVH/
/src/eigen/unsupported/Eigen/src/SparseExtra/
/src/rdkit/External/FreeSASA/Wrap/
/src/rdkit/External/pubchem_shape/Wrap/
/src/eigen/bench/spbench/
/src/eigen/bench/btl/libs/tensors/
/src/eigen/bench/btl/libs/mtl4/
/src/rdkit/Code/GraphMol/MolStandardize/
/src/rdkit/Code/GraphMol/StructChecker/Wrap/
/src/eigen/unsupported/doc/examples/
/src/eigen/Eigen/src/Core/util/
/src/rdkit/Code/GraphMol/SubstructLibrary/
/src/rdkit/Code/GraphMol/MolCatalog/
/src/rdkit/Code/GraphMol/CIPLabeler/rules/
/src/rdkit/Code/GraphMol/FMCS/
/src/eigen/unsupported/Eigen/src/SpecialFunctions/arch/GPU/
/src/rdkit/External/AvalonTools/
/src/rdkit/Code/GraphMol/MolProcessing/
/src/eigen/scripts/
/src/eigen/Eigen/src/Eigenvalues/
/src/eigen/bench/
/src/rdkit/Code/Numerics/
/src/eigen/Eigen/src/SuperLUSupport/
/src/eigen/bench/btl/libs/gmm/
/src/eigen/Eigen/src/Core/arch/Default/
/src/rdkit/Code/GraphMol/MolHash/
/src/eigen/Eigen/src/PardisoSupport/
/src/rdkit/Code/ML/Data/
/src/eigen/demos/mandelbrot/
/src/rdkit/Code/GraphMol/Depictor/
/src/eigen/Eigen/src/ThreadPool/
/src/rdkit/External/FreeSASA/
/src/rdkit/Code/GraphMol/RGroupDecomposition/Wrap/
/src/eigen/bench/btl/actions/
/src/rdkit/Code/GraphMol/MolInteractionFields/
/src/rdkit/Code/DataStructs/Wrap/
/src/rdkit/Code/GraphMol/GenericGroups/
/src/rdkit/External/YAeHMOP/Wrap/
/src/eigen/Eigen/src/Core/arch/SVE/
/src/eigen/failtest/
/src/rdkit/Code/GraphMol/FilterCatalog/Wrap/
/src/eigen/bench/btl/data/
/src/rdkit/Code/GraphMol/TautomerQuery/Wrap/
/src/rdkit/Code/Demos/RDKit/Draw/qtDemo/
/src/rdkit/Code/GraphMol/Trajectory/
/src/rdkit/Code/GraphMol/PartialCharges/Wrap/
/src/eigen/test/
/src/eigen/Eigen/src/Core/arch/AltiVec/
/src/rdkit/Code/GraphMol/MolChemicalFeatures/
/src/eigen/unsupported/Eigen/src/NumericalDiff/
/src/rdkit/Code/GraphMol/SubstructLibrary/Wrap/
/src/rdkit/Docs/Book/C++Examples/
/src/rdkit/Code/Demos/boost/numpy/
/src/rdkit/Code/ForceField/MMFF/
/src/rdkit/Contrib/ConformerParser/

Function call coverage

This section shows a list of 3rd party function calls and their relative coverage information. By static analysis of the target project code, all of the 3rd party function call and their caller information, including the source file and line number that initiate the call are captured. The caller source code file and line number are shown in column 2 while column 1 is the function name of the 3rd party function call. Each occurrent of the 3rd party function call will occuply a separate row. Column 3 of each row indicate if the 3rd party call in the source file line is unreachable. Column 4 lists all fuzzers that have covered that particular system call in that specific location (source file and line)during their dynamic fuzzing.

Function in each files in report

Target sink	Callsite location	Reached by fuzzer	Covered by Fuzzers

Metadata section

This sections shows the raw data that is used to produce this report. This is mainly used for further processing and developer debugging.

Fuzzer Calltree file Program data file Coverage file

rdkit/Code/Fuzz/mol_data_stream_to_mol_fuzzer.cc fuzzerLogFile-mol_data_stream_to_mol_fuzzer.data fuzzerLogFile-mol_data_stream_to_mol_fuzzer.data.yaml

rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc fuzzerLogFile-smiles_string_to_mol_fuzzer.data fuzzerLogFile-smiles_string_to_mol_fuzzer.data.yaml

rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc fuzzerLogFile-mol_deserialization_fuzzer.data fuzzerLogFile-mol_deserialization_fuzzer.data.yaml

Fuzzer	Calltree file	Program data file
rdkit/Code/Fuzz/mol_data_stream_to_mol_fuzzer.cc	fuzzerLogFile-mol_data_stream_to_mol_fuzzer.data	fuzzerLogFile-mol_data_stream_to_mol_fuzzer.data.yaml
rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc	fuzzerLogFile-smiles_string_to_mol_fuzzer.data	fuzzerLogFile-smiles_string_to_mol_fuzzer.data.yaml
rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc	fuzzerLogFile-mol_deserialization_fuzzer.data	fuzzerLogFile-mol_deserialization_fuzzer.data.yaml

Sink analyser for CWEs

This section contains multiple tables, each table contains a list of sink functions/methods found in the project for one of the CWE supported by the sink analyser, together with information like which fuzzers statically reach the sink functions/methods and possible call path to that sink functions/methods if it is not statically reached by any fuzzers. Column 1 is the function/method name of the sink functions/methods found in the project. Column 2 lists all fuzzers (or no fuzzers at all) that have covered that particular function method statically. Column 3 shows a list of possible call paths to reach the specific function/method call if none of the fuzzers cover the target function/method calls. Lastly, column 4 shows possible fuzzer blockers that prevent an existing fuzzer from reaching the target sink functions/methods dynamically.

Sink functions/methods found for CWE787

Target sink

Reached by fuzzer

Function call path

Possible branch blockers

['/src/rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc']

N/A

Blocker function	Arguments type	Return type	Constants touched
AvalonTools::getCountFp in /src/rdkit/External/AvalonTools/AvalonTools.cpp:48	['struct reaccs_molecule_t*', 'unsigned int', 'bool', 'unsigned int']	int	[]
RDKit::DiscreteValueVect in /src/rdkit/Code/DataStructs/DiscreteValueVect.h:24	[]	class RDKIT_DATASTRUCTS_EXPORT	[]
cleanupRDKitCache in /src/rdkit/Code/PgSQL/rdkit/cache.c:255	['void*']	void	[]
layered_fp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:219	[]	Datum	[]
rdkit_fp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:237	[]	Datum	[]
morganbv_fp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:255	[]	Datum	[]
featmorganbv_fp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:273	[]	Datum	[]
atompairbv_fp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:291	[]	Datum	[]
torsionbv_fp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:309	[]	Datum	[]
maccs_fp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:327	[]	Datum	[]
avalon_fp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:345	[]	Datum	[]
gmol_consistent in /src/rdkit/Code/PgSQL/rdkit/rdkit_gist.c:458	[]	Datum	[]
mol_substruct in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:101	[]	Datum	[]
RegisterListConverter in /src/rdkit/Code/RDBoost/Wrap.h:114	[]	void	[]
mol_substruct_chiral in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:131	[]	Datum	[]
mol_rsubstruct in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:146	[]	Datum	[]
mol_rsubstruct_query in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:161	[]	Datum	[]
mol_rsubstruct_chiral in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:176	[]	Datum	[]
mol_substruct_count in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:191	[]	Datum	[]
mol_substruct_count_chiral in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:206	[]	Datum	[]
mol_xq_substruct in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:222	[]	Datum	[]
mol_xq_rsubstruct in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:238	[]	Datum	[]
mol_xq_substruct_query in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:254	[]	Datum	[]
mol_xq_rsubstruct_query in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:269	[]	Datum	[]
mol_formula in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:340	[]	Datum	[]
mol_inchi in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:359	[]	Datum	[]
mol_inchikey in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:380	[]	Datum	[]
mol_murckoscaffold in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:400	[]	Datum	[]
mol_nm_hash in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:418	[]	Datum	[]
mol_adjust_query_properties in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:435	[]	Datum	[]
mol_to_svg in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:455	[]	Datum	[]
mol_to_xqmol in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:475	[]	Datum	[]
fmcs_mol2s_transition in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:551	[]	Datum	[]
mol_out in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:79	[]	Datum	[]
mol_send in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:94	[]	Datum	[]
mol_to_ctab in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:208	[]	Datum	[]
mol_to_v3kctab in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:227	[]	Datum	[]
mol_to_smiles in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:246	[]	Datum	[]
mol_to_cxsmiles in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:262	[]	Datum	[]
mol_to_smarts in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:278	[]	Datum	[]
mol_to_cxsmarts in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:294	[]	Datum	[]
mol_to_json in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:344	[]	Datum	[]
qmol_out in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:400	[]	Datum	[]
morgan_fp in /src/rdkit/Code/PgSQL/rdkit/sfp_op.c:268	[]	Datum	[]
featmorgan_fp in /src/rdkit/Code/PgSQL/rdkit/sfp_op.c:285	[]	Datum	[]
atompair_fp in /src/rdkit/Code/PgSQL/rdkit/sfp_op.c:302	[]	Datum	[]
torsion_fp in /src/rdkit/Code/PgSQL/rdkit/sfp_op.c:319	[]	Datum	[]
xqmol_out in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:452	[]	Datum	[]
xqmol_send in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:467	[]	Datum	[]
bfp_tanimoto_sml in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:83	[]	Datum	[]
bfp_tversky_sml in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:100	[]	Datum	[]
bfp_tanimoto_dist in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:119	[]	Datum	[]
bfp_tanimoto_sml_op in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:137	[]	Datum	[]
bfp_dice_sml in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:154	[]	Datum	[]
bfp_dice_dist in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:172	[]	Datum	[]
bfp_dice_sml_op in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:190	[]	Datum	[]
bfp_size in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:207	[]	Datum	[]
gbfp_consistent in /src/rdkit/Code/PgSQL/rdkit/bfp_gist.c:493	[]	Datum	[]
gbfp_distance in /src/rdkit/Code/PgSQL/rdkit/bfp_gist.c:588	[]	Datum	[]
bfp_to_binary_text in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:518	[]	Datum	[]
gsfp_consistent in /src/rdkit/Code/PgSQL/rdkit/rdkit_gist.c:675	[]	Datum	[]
sfp_tanimoto_sml in /src/rdkit/Code/PgSQL/rdkit/sfp_op.c:83	[]	Datum	[]
sfp_tanimoto_sml_op in /src/rdkit/Code/PgSQL/rdkit/sfp_op.c:101	[]	Datum	[]
gmm_interface::axpy in /src/eigen/bench/btl/libs/gmm/gmm_interface.hh:89	['real', 'gene_vector', 'gene_vector', 'int']	void	[]
gmm_interface::axpby in /src/eigen/bench/btl/libs/gmm/gmm_interface.hh:93	['real', 'gene_vector', 'real', 'gene_vector', 'int']	void	[]
sfp_subtract in /src/rdkit/Code/PgSQL/rdkit/sfp_op.c:247	[]	Datum	[]
gslfp_consistent in /src/rdkit/Code/PgSQL/rdkit/low_gist.c:351	[]	Datum	[]
reaction_structural_bfp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:365	[]	Datum	[]
reaction_substruct in /src/rdkit/Code/PgSQL/rdkit/rxn_op.c:60	[]	Datum	[]
reaction_rsubstruct in /src/rdkit/Code/PgSQL/rdkit/rxn_op.c:75	[]	Datum	[]
reaction_substructFP in /src/rdkit/Code/PgSQL/rdkit/rxn_op.c:90	[]	Datum	[]
reaction_rsubstructFP in /src/rdkit/Code/PgSQL/rdkit/rxn_op.c:105	[]	Datum	[]
reaction_to_svg in /src/rdkit/Code/PgSQL/rdkit/rxn_op.c:142	[]	Datum	[]
greaction_consistent in /src/rdkit/Code/PgSQL/rdkit/rdkit_gist.c:731	[]	Datum	[]
reaction_out in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:606	[]	Datum	[]
reaction_send in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:621	[]	Datum	[]
reaction_to_ctab in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:691	[]	Datum	[]
reaction_to_smiles in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:707	[]	Datum	[]
reaction_to_smarts in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:722	[]	Datum	[]
reaction_difference_fp in /src/rdkit/Code/PgSQL/rdkit/sfp_op.c:337	[]	Datum	[]
real_qz in /src/eigen/test/real_qz.cpp:16	['MatrixType']	void	[]
schur in /src/eigen/test/schur_complex.cpp:15	[]	void	[]
tiny_blitz_interface::matrix_matrix_product in /src/eigen/bench/btl/libs/blitz/tiny_blitz_interface.hh:82	['gene_matrix', 'gene_matrix', 'gene_matrix', 'int']	void	[]
tiny_blitz_interface::matrix_vector_product in /src/eigen/bench/btl/libs/blitz/tiny_blitz_interface.hh:86	['gene_matrix', 'gene_vector', 'gene_vector', 'int']	void	[]
lu_non_invertible in /src/eigen/test/lu.cpp:21	[]	void	[]
product_extra in /src/eigen/test/product_extra.cpp:13	['MatrixType']	void	[]
quaternion in /src/eigen/test/geo_quaternion.cpp:47	[]	void	[]
check_stdlist_transform in /src/eigen/test/stdlist.cpp:44	[]	void	[]
check_stdlist_quaternion in /src/eigen/test/stdlist.cpp:71	[]	void	[]
integer_type_tests in /src/eigen/test/integer_types.cpp:46	['MatrixType']	void	[]
eigensolver in /src/eigen/test/eigensolver_complex.cpp:69	['MatrixType']	void	[]
bdcsvd_method in /src/eigen/test/bdcsvd.cpp:26	[]	void	[]
check_stddeque_transform in /src/eigen/test/stddeque.cpp:44	[]	void	[]
check_stddeque_quaternion in /src/eigen/test/stddeque.cpp:71	[]	void	[]
inverse_permutation_4x4 in /src/eigen/test/prec_inverse_4x4.cpp:15	[]	void	[]
selfadjointeigensolver in /src/eigen/test/eigensolver_selfadjoint.cpp:65	['MatrixType']	void	[]
test_simplicial_cholesky_T in /src/eigen/test/simplicial_cholesky.cpp:13	[]	void	[]
test_cholmod_T in /src/eigen/test/cholmod_support.cpp:67	[]	void	[]
test_umfpack_support_T in /src/eigen/test/umfpack_support.cpp:16	[]	void	[]
test_sparselu_T in /src/eigen/test/sparselu.cpp:22	[]	void	[]
array_real in /src/eigen/test/array_cwise.cpp:768	['ArrayType']	void	[]
array_complex in /src/eigen/test/array_cwise.cpp:922	['ArrayType']	void	[]
Eigen::LevenbergMarquardt ::lmstr1 in /src/eigen/unsupported/Eigen/src/NonLinearOptimization/LevenbergMarquardt.h:328	['FVectorType', 'Scalar']	LevenbergMarquardtSpace::Status	[]
Eigen::LevenbergMarquardt ::lmder1 in /src/eigen/unsupported/Eigen/src/LevenbergMarquardt/LevenbergMarquardt.h:324	['FVectorType', 'Scalar']	LevenbergMarquardtSpace::Status	[]
Eigen::MatrixPower ::compute in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixPower.h:444	['ResultType', 'RealScalar']	void	[]
Eigen::SparseQR ::analyzePattern in /src/eigen/Eigen/src/SparseQR/SparseQR.h:314	['MatrixType']	void	[]
Eigen::SparseQR ::factorize in /src/eigen/Eigen/src/SparseQR/SparseQR.h:356	['MatrixType']	void	[]
Eigen::SparseLU ::factorize in /src/eigen/Eigen/src/SparseLU/SparseLU.h:611	['MatrixType']	void	[]
Eigen::IncompleteCholesky::_solve_impl in /src/eigen/Eigen/src/IterativeLinearSolvers/IncompleteCholesky.h:150	['Rhs', 'Dest']	void	[]
Eigen::IncompleteLUT ::analyzePattern in /src/eigen/Eigen/src/IterativeLinearSolvers/IncompleteLUT.h:240	['MatrixType_']	void	[]
Eigen::PartialPivLU ::reconstructedMatrix in /src/eigen/Eigen/src/LU/PartialPivLU.h:525	[]	MatrixType	[]
Eigen::FullPivLU ::reconstructedMatrix in /src/eigen/Eigen/src/LU/FullPivLU.h:569	[]	MatrixType	[]
alignedboxNonIntegralRotatable in /src/eigen/test/geo_alignedbox.cpp:296	['BoxType']	void	[]
Eigen::Transform ::computeRotationScaling in /src/eigen/Eigen/src/Geometry/Transform.h:1052	['RotationMatrixType', 'ScalingMatrixType']	EIGEN_DEVICE_FUNC	[]
Eigen::Transform ::computeScalingRotation in /src/eigen/Eigen/src/Geometry/Transform.h:1083	['ScalingMatrixType', 'RotationMatrixType']	EIGEN_DEVICE_FUNC	[]
miscMatrices in /src/eigen/test/miscmatrices.cpp:13	['MatrixType']	void	[]
diagonalmatrices in /src/eigen/test/diagonalmatrices.cpp:18	['MatrixType']	void	[]
check_stdvector_quaternion in /src/eigen/test/stdvector.cpp:78	[]	void	[]
jacobisvd_method in /src/eigen/test/jacobisvd.cpp:23	[]	void	[]
run_test in /src/eigen/test/umeyama.cpp:83	['int', 'int']	void	[]
svd_preallocate in /src/eigen/test/svd_common.h:353	[]	void	[]
sparse_basic in /src/eigen/test/sparse_basic.cpp:25	['SparseMatrixType']	void	[]
Eigen::createRandomPIMatrixOfRank in /src/eigen/test/random_matrix_helper.h:60	['Index', 'Index', 'Index', 'MatrixType']	void	[]
Eigen::generateRandomMatrixSvs in /src/eigen/test/random_matrix_helper.h:169	['RealScalarVectorType', 'Index', 'Index', 'MatrixType']	void	[]
test_2856 in /src/eigen/test/bicgstab.cpp:30	[]	void	[]
run_fixed_size_test in /src/eigen/test/umeyama.cpp:112	['int']	void	[]
cholesky_cplx in /src/eigen/test/cholesky.cpp:271	['MatrixType']	void	[]
Action_cholesky::calculate in /src/eigen/bench/btl/actions/action_cholesky.hh:83	[]	void	[]
non_projective_only in /src/eigen/test/geo_transformations.cpp:28	[]	void	[]
transformations in /src/eigen/test/geo_transformations.cpp:87	[]	void	[]
transformations_no_scale in /src/eigen/test/geo_transformations.cpp:613	[]	void	[]
rotate4DZWAxis in /src/eigen/test/geo_alignedbox.cpp:197	['Scalar']	Rotation	[]
test_non_spd in /src/eigen/test/incomplete_cholesky.cpp:57	[]	void	[]
GpuHelper::pushProjectionMode2D in /src/eigen/demos/opengl/gpuhelper.cpp:28	['ProjectionMode2D']	void	[]
GpuHelper::drawVector in /src/eigen/demos/opengl/gpuhelper.cpp:48	['Vector3f', 'Vector3f', 'Color', 'float']	void	[]
GpuHelper::drawVectorBox in /src/eigen/demos/opengl/gpuhelper.cpp:67	['Vector3f', 'Vector3f', 'Color', 'float']	void	[]
randomTest in /src/eigen/unsupported/test/matrix_exponential.cpp:87	['MatrixType', 'double']	void	[]
Eigen::internal::idrs in /src/eigen/unsupported/Eigen/src/IterativeSolvers/IDRS.h:58	['MatrixType', 'Rhs', 'Dest', 'Preconditioner', 'Index', 'typename Dest::RealScalar', 'Index', 'bool', 'typename Dest::RealScalar', 'bool']	bool	[]
Eigen::internal::idrstabl in /src/eigen/unsupported/Eigen/src/IterativeSolvers/IDRSTABL.h:46	['MatrixType', 'Rhs', 'Dest', 'Preconditioner', 'Index', 'typename Dest::RealScalar', 'Index', 'Index']	bool	[]
Eigen::internal::companion::denseMatrix in /src/eigen/unsupported/Eigen/src/Polynomials/Companion.h:80	[]	DenseCompanionMatrixType	[]
Eigen::matrix_sqrt_quasi_triangular in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixSquareRoot.h:172	['MatrixType', 'ResultType']	void	[]
Eigen::internal::matrix_exp_pade3 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:76	['MatA', 'MatU', 'MatV']	void	[]
Eigen::internal::matrix_exp_pade5 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:92	['MatA', 'MatU', 'MatV']	void	[]
Eigen::internal::matrix_exp_pade7 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:109	['MatA', 'MatU', 'MatV']	void	[]
Eigen::internal::matrix_exp_pade9 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:127	['MatA', 'MatU', 'MatV']	void	[]
Eigen::internal::matrix_exp_pade13 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:148	['MatA', 'MatU', 'MatV']	void	[]
Eigen::internal::matrix_exp_pade17 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:186	['MatA', 'MatU', 'MatV']	void	[]
Eigen::MatrixPowerAtomic ::compute in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixPower.h:139	['ResultType']	void	[]
Eigen::internal::matrix_function_compute_mu in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixFunction.h:53	['MatrixType']	typename NumTraits ::Real	[]
Eigen::internal::MatrixFunctionAtomic ::compute in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixFunction.h:63	['MatrixType']	MatrixType	[]
Eigen::internal::matrix_log_compute_big in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixLogarithm.h:226	['MatrixType', 'MatrixType']	void	[]
Eigen::CompleteOrthogonalDecomposition::matrixZ in /src/eigen/Eigen/src/QR/CompleteOrthogonalDecomposition.h:151	[]	MatrixType	[]
&ComplexSchur ::compute(constEigenBase &matrix,boolcomputeU) in /src/eigen/Eigen/src/Eigenvalues/ComplexSchur.h:314	['EigenBase ', 'bool']	ComplexSchur	[]
Eigen::RealQZ ::hessenbergTriangular in /src/eigen/Eigen/src/Eigenvalues/RealQZ.h:217	[]	void	[]
testVectorType in /src/eigen/test/nullary.cpp:62	['VectorType']	void	[]
test_autodiff_hessian in /src/eigen/unsupported/test/autodiff.cpp:224	[]	void	[]
Eigen::internal::gmres in /src/eigen/unsupported/Eigen/src/IterativeSolvers/GMRES.h:59	['MatrixType', 'Rhs', 'Dest', 'Preconditioner', 'Index', 'Index', 'typename Dest::RealScalar']	bool	[]
operator()(constInputType&x,ValueTypev,JacobianType_jac,constParamsType&...Params)const in /src/eigen/unsupported/Eigen/src/AutoDiff/AutoDiffJacobian.h:47	['InputType', 'ValueType', 'JacobianType']	void	[]
eulerangles in /src/eigen/test/geo_eulerangles.cpp:97	[]	void	[]
eulerangles_manual in /src/eigen/unsupported/test/EulerAngles.cpp:185	[]	void	[]
eulerangles_rand in /src/eigen/unsupported/test/EulerAngles.cpp:217	[]	void	[]
Camera::right in /src/eigen/demos/opengl/camera.cpp:79	[]	Vector3f	[]
RenderingWidget::paintGL in /src/eigen/demos/opengl/quaternion_demo.cpp:407	[]	void	[]
RenderingWidget::mouseMoveEvent in /src/eigen/demos/opengl/quaternion_demo.cpp:359	['QMouseEvent*']	void	[]
test_autodiff_scalar in /src/eigen/unsupported/test/autodiff.cpp:190	[]	void	[]
test_autodiff_vector in /src/eigen/unsupported/test/autodiff.cpp:201	[]	void	[]
check_atan2 in /src/eigen/unsupported/test/autodiff_scalar.cpp:19	[]	void	[]
check_hyperbolic_functions in /src/eigen/unsupported/test/autodiff_scalar.cpp:40	[]	void	[]
Eigen::AngleAxis::Identity in /src/eigen/Eigen/src/Geometry/AngleAxis.h:151	[]	EIGEN_DEVICE_FUNC	[]
Camera::localTranslate in /src/eigen/demos/opengl/camera.cpp:150	['Vector3f']	void	[]
Camera::localRotate in /src/eigen/demos/opengl/camera.cpp:135	['Quaternionf']	void	[]
Camera::zoom in /src/eigen/demos/opengl/camera.cpp:142	['float']	void	[]
MatrixBase ::UnitW in /src/eigen/Eigen/src/Core/CwiseNullaryOp.h:937	[]	typename MatrixBase ::BasisReturnType	[]
Eigen::PartialPivLU::rcond in /src/eigen/Eigen/src/LU/PartialPivLU.h:190	[]	RealScalar	[]
Eigen::FullPivLU::rcond in /src/eigen/Eigen/src/LU/FullPivLU.h:256	[]	RealScalar	[]
Eigen::LLT::rcond in /src/eigen/Eigen/src/Cholesky/LLT.h:152	[]	RealScalar	[]
Eigen::LDLT::rcond in /src/eigen/Eigen/src/Cholesky/LDLT.h:206	[]	RealScalar	[]
Eigen::SkewSymmetricBase::exponential in /src/eigen/Eigen/src/Core/SkewSymmetricMatrix3.h:75	[]	void	[]
Eigen::umeyama in /src/eigen/Eigen/src/Geometry/Umeyama.h:90	['MatrixBase ', 'MatrixBase ']	typename internal::umeyama_transform_matrix_type ::type	[]
Eigen::Transform::Identity in /src/eigen/Eigen/src/Geometry/Transform.h:519	[]	EIGEN_DEVICE_FUNC	[]
BDCSVD ::copyUV in /src/eigen/Eigen/src/SVD/BDCSVD.h:422	['HouseholderU', 'HouseholderV', 'NaiveU', 'NaiveV']	void	[]
RDKit::ResonanceMolSupplier::ResonanceMolSupplier in /src/rdkit/Code/GraphMol/Resonance.cpp:1348	['ROMol', 'unsigned int', 'unsigned int']	void	[]
RDKit::MurckoDecompose in /src/rdkit/Code/GraphMol/ChemTransforms/ChemTransforms.cpp:777	['ROMol']	ROMol	[]
RDKit::AtomPair::AtomPairEnvGenerator ::getEnvironments in /src/rdkit/Code/GraphMol/Fingerprints/AtomPairGenerator.cpp:143	['ROMol', 'FingerprintArguments', 'std::vector ', 'std::vector ', 'int', 'AdditionalOutput']	std::vector *>	[]
testIssue276 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:674	[]	void	[]
testIssue285 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:736	[]	void	[]
testIssue284 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:689	[]	void	[]
testIssue215 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:392	[]	void	[]
test15Dists in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:470	[]	void	[]
testOrdering in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:562	[]	void	[]
testIssue227 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:581	[]	void	[]
testIssue236 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:606	[]	void	[]
testIssue244 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:631	[]	void	[]
testIssue251 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:661	[]	void	[]
testIssue355 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:769	[]	void	[]
testIssue3238580 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1090	[]	void	[]
testGithub696 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1498	[]	void	[]
testGithub697 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1520	[]	void	[]
testProvideBoundsMatrix in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:2175	[]	void	[]
testHydrogenBondBasics in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:2346	[]	void	[]
RDKit::getMolBoundsMatrix in /src/rdkit/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp:223	['ROMol']	PyObject	[]
RDKit::getDistanceMatrix in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:496	['ROMol']	PyObject	[]
RDKit::RascalMCES::RascalResult::applyMaxFragSep in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:386	[]	void	[]
RDKit::RascalMCES::RascalResult::getMaxDeltaAtomAtomDist in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:648	[]	int	[]
RDKit::RascalMCES::minFragSeparation in /src/rdkit/Code/GraphMol/RascalMCES/RascalMCES.cpp:705	['ROMol', 'ROMol', 'std::vector ', 'int', 'int']	int	[]
RDDepict::EmbeddedFrag::matchToTemplate in /src/rdkit/Code/GraphMol/Depictor/EmbeddedFrag.cpp:456	['RDKit::INT_VECT', 'unsigned int']	bool	[]
RDKit::MolOps::getAdjacencyMatrix in /src/rdkit/Code/GraphMol/Matrices.cpp:289	['ROMol', 'bool', 'int', 'bool', 'char', 'boost::dynamic_bitset<>']	double	[]
testAssignStereochemistryFrom3D in /src/rdkit/Code/GraphMol/testChirality.cpp:2667	[]	void	[]
RDKit::determineBonds in /src/rdkit/Code/GraphMol/DetermineBonds/DetermineBonds.cpp:495	['RWMol', 'bool', 'int', 'double', 'bool', 'bool', 'bool', 'bool', 'size_t']	void	[]
testSFNetIssue2951221 in /src/rdkit/Code/GraphMol/molopstest.cpp:3701	[]	void	[]
testGithubIssue717 in /src/rdkit/Code/GraphMol/molopstest.cpp:6457	[]	void	[]
testGithubIssue607 in /src/rdkit/Code/GraphMol/molopstest.cpp:7343	[]	void	[]
testChiralityFrom3D in /src/rdkit/Code/GraphMol/testChirality.cpp:1100	[]	void	[]
testIssue2705543 in /src/rdkit/Code/GraphMol/testChirality.cpp:1715	[]	void	[]
testDoubleBondStereoInRings in /src/rdkit/Code/GraphMol/testChirality.cpp:2703	[]	void	[]
TestAssignChiralTypesFromMolParity::TestAssignChiralTypesFromMolParity in /src/rdkit/Code/GraphMol/testChirality.cpp:2800	['ROMol']	void	[]
RDKit::v2::MarvinParser::MarvinCMLReader::parseReaction in /src/rdkit/Code/GraphMol/MarvinParse/MarvinParser.cpp:92	['boost::property_tree::ptree', 'boost::property_tree::ptree']	std::unique_ptr	[]
testGithub563 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1412	[]	void	[]
testGithub568 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1431	[]	void	[]
testSmiles1 in /src/rdkit/Code/GraphMol/testChirality.cpp:336	[]	void	[]
testChiralityCleanup in /src/rdkit/Code/GraphMol/testChirality.cpp:727	[]	void	[]
testGithub608 in /src/rdkit/Code/GraphMol/test1.cpp:1318	[]	void	[]
testGithub6370 in /src/rdkit/Code/GraphMol/test1.cpp:1699	[]	void	[]
RDKit::v1::RxnSmartsToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:114	['std::string']	ChemicalReaction	[]
operator""_rxnsmarts(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:391	['char*', 'size_t']	std::unique_ptr	[]
RDKit::v1::PNGStringToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:339	['std::string']	ChemicalReaction	[]
RDKit::v1::PNGFileToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:344	['std::string']	ChemicalReaction	[]
RDKit::v1::PNGStreamToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:334	['std::istream']	ChemicalReaction	[]
operator""_rxnsmiles(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:402	['char*', 'size_t']	std::unique_ptr	[]
RDMIF::HBond::HBond in /src/rdkit/Code/GraphMol/MolInteractionFields/MIFDescriptors.cpp:614	['RDKit::ROMol', 'int', 'std::string', 'bool', 'double']	void	[]
testIssue256 in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:1563	[]	void	[]
fmcs_smiles in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:503	[]	Datum	[]
RDKitImpl::MolFromSmiles in /src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDKitImpl.cpp:25	['char', 'IRDMolecule*']	NS_IMETHODIMP	[]
smilesToBlob in /src/rdkit/Code/Demos/sqlite/rdk_funcs.cpp:146	['sqlite3_context', 'int', 'sqlite3_value*']	void	[]
test10 in /src/rdkit/Code/GraphMol/SLNParse/test.cpp:1188	[]	void	[]
test12 in /src/rdkit/Code/GraphMol/SLNParse/test.cpp:1268	[]	void	[]
testIssue277 in /src/rdkit/Code/GraphMol/SLNParse/test.cpp:1712	[]	void	[]
RDKitSV::RDKitSVMainWindow::RDKitSVMainWindow in /src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/RDKitSVMainWindow.cc:51	['int', 'char**']	void	[]
RDKitSV::RDKitSVMainWindow::slot_read_mols in /src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/RDKitSVMainWindow.cc:484	[]	void	[]
RDDepict::CoordinateTemplates::setRingSystemTemplates in /src/rdkit/Code/GraphMol/Depictor/Templates.cpp:85	['std::string']	void	[]
RDDepict::CoordinateTemplates::addRingSystemTemplates in /src/rdkit/Code/GraphMol/Depictor/Templates.cpp:96	['std::string']	void	[]
operator""_smiles(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/SmilesParse/SmilesParse.h:237	['char*', 'size_t']	std::unique_ptr	[]
testKappa2 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:1390	[]	void	[]
testKappa3 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:1443	[]	void	[]
RDKit::v2::FileParsers::TDTMolSupplier::next in /src/rdkit/Code/GraphMol/FileParsers/TDTMolSupplier.cpp:263	[]	std::unique_ptr	[]
testIssue3525000 in /src/rdkit/Code/GraphMol/FileParsers/testMolWriter.cpp:550	[]	void	[]
RDKit::v2::FileParsers::build_mol in /src/rdkit/Code/GraphMol/FileParsers/MaeMolSupplier.cpp:452	['RWMol', 'mae::Block', 'bool', 'bool']	void	[]
RDKit::ParseV3000RxnBlock in /src/rdkit/Code/GraphMol/ChemReactions/MDLParser.cpp:177	['std::istream', 'unsigned int', 'MolFileParserParams', 'std::unique_ptr ']	void	[]
RDKit::v2::FileParsers::MolFromSCSRBlock in /src/rdkit/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp:1303	['std::string', 'MolFileParserParams', 'MolFromSCSRParams']	std::unique_ptr	[]
RDKit::MolFromSCSRFile in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:200	['std::string', 'bool', 'bool', 'python::object']	RDKit::ROMol	[]
RDKit::MolFromSCSRBlock in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:174	['std::string', 'bool', 'bool', 'python::object']	RDKit::ROMol	[]
RDKit::v2::FileParsers::MolFromSCSRMolConverter::convert in /src/rdkit/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp:770	[]	std::unique_ptr	[]
RDKit::MolStandardize::Operations::parse in /src/rdkit/Code/GraphMol/MolStandardize/Pipeline.cpp:95	['std::string', 'PipelineResult', 'PipelineOptions']	RWMOL_SPTR	[]
testMolFileGithub8265 in /src/rdkit/Code/GraphMol/FileParsers/testMolWriter.cpp:1633	[]	void	[]
RDKit::v1::MolBlockToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:157	['std::string']	RWMol	[]
operator""_ctab(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:492	['char*', 'size_t']	std::unique_ptr	[]
testConstrainedCoords in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:836	[]	void	[]
testPBFEdges in /src/rdkit/Code/GraphMol/Descriptors/testPBF.cpp:56	[]	void	[]
RDKit::v2::FileParsers::MultithreadedSDMolSupplier::processMoleculeRecord in /src/rdkit/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.cpp:246	['std::string', 'unsigned int']	RWMol	[]
RDKit::v1::Mol2BlockToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:355	['std::string']	RWMol	[]
operator""_mol2(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:501	['char*', 'size_t']	std::unique_ptr	[]
RDKit::v1::Mol2FileToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:303	['std::string']	RWMol	[]
testIssue114 in /src/rdkit/Code/GraphMol/FileParsers/testMol2ToMol.cpp:312	['std::string']	void	[]
RunTests in /src/rdkit/Code/GraphMol/FileParsers/test1.cpp:5425	[]	void	[]
RDKit::parsePdbBlock in /src/rdkit/Code/GraphMol/FileParsers/PDBParser.cpp:549	['char*', 'bool', 'bool', 'unsigned int', 'bool']	std::unique_ptr	[]
hs1 in /src/rdkit/Code/GraphMol/hanoitest.cpp:77	['std::vector >']	void	[]
_renumberTest2 in /src/rdkit/Code/GraphMol/hanoitest.cpp:932	['ROMol*', 'std::string', 'unsigned int']	void	[]
RDKit::Chirality::runCleanup in /src/rdkit/Code/GraphMol/FindStereo.cpp:1035	['ROMol', 'bool', 'bool']	std::vector	[]
RDKit::Canon::compareRingAtomsConcerningNumNeighbors in /src/rdkit/Code/GraphMol/new_canon.cpp:148	['Canon::canon_atom*', 'unsigned int', 'ROMol']	void	[]
RDKit::MolFragmentToCXSmiles in /src/rdkit/Code/GraphMol/SmilesParse/SmilesWrite.cpp:1026	['ROMol', 'SmilesWriteParams', 'std::vector ', 'std::vector ', 'std::vector ', 'std::vector *']	std::string	[]
RDKit::CanonicalRankAtomsInFragment in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:481	['ROMol', 'python::object', 'python::object', 'python::object']	std::vector	[]
testOneAtropisomersCanon in /src/rdkit/Code/GraphMol/SmilesParse/cxsmiles_test.cpp:854	['SmilesTest*']	void	[]
RDKit::canonicalizeStereoGroupsHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:907	['ROMol', 'RDKit::StereoGroupAbsOptions', 'unsigned int']	ROMol	[]
RDKit::findMesoHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:1088	['ROMol', 'bool', 'bool']	python::object	[]
test7a in /src/rdkit/Code/GraphMol/hanoitest.cpp:971	[]	void	[]
testBondDirRemoval in /src/rdkit/Code/GraphMol/testChirality.cpp:1653	[]	void	[]
testIssue1735 in /src/rdkit/Code/GraphMol/testChirality.cpp:2761	[]	void	[]
testGithubIssue3 in /src/rdkit/External/INCHI-API/test.cpp:163	[]	void	[]
testGithubIssue1572 in /src/rdkit/External/INCHI-API/test.cpp:585	[]	void	[]
testGithubIssue8 in /src/rdkit/External/INCHI-API/test.cpp:198	[]	void	[]
testGithubIssue40 in /src/rdkit/External/INCHI-API/test.cpp:234	[]	void	[]
testGithubIssue67 in /src/rdkit/External/INCHI-API/test.cpp:254	[]	void	[]
testGithubIssue68 in /src/rdkit/External/INCHI-API/test.cpp:273	[]	void	[]
testGithubIssue437 in /src/rdkit/External/INCHI-API/test.cpp:336	[]	void	[]
testGithubIssue562 in /src/rdkit/External/INCHI-API/test.cpp:541	[]	void	[]
testGithub3645 in /src/rdkit/External/INCHI-API/test.cpp:827	[]	void	[]
testGithub6172 in /src/rdkit/External/INCHI-API/test.cpp:887	[]	void	[]
mol_in in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:45	[]	Datum	[]
mol_from_smarts in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:157	[]	Datum	[]
mol_from_smiles in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:174	[]	Datum	[]
qmol_from_smiles in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:191	[]	Datum	[]
qmol_in in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:382	[]	Datum	[]
mol_from_ctab in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:112	[]	Datum	[]
qmol_from_ctab in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:135	[]	Datum	[]
BuildSimpleMolecule in /src/rdkit/Code/Demos/RDKit/GettingStarted/sample.cpp:33	[]	void	[]
CleanupMolecule in /src/rdkit/Code/Demos/RDKit/GettingStarted/sample.cpp:205	[]	void	[]
runMolFile in /src/rdkit/Code/Demos/RDKit/Basement/Minimize/MinimizeCLI.cpp:50	['std::string']	void	[]
runSDFile in /src/rdkit/Code/Demos/RDKit/Basement/Minimize/MinimizeCLI.cpp:63	['std::string']	void	[]
test9 in /src/rdkit/Code/GraphMol/Substruct/test1.cpp:540	[]	void	[]
testSFIssue1836576 in /src/rdkit/Code/GraphMol/molopstest.cpp:2732	[]	void	[]
testSFIssue1894348 in /src/rdkit/Code/GraphMol/molopstest.cpp:2939	[]	void	[]
testAromaticityEdges in /src/rdkit/Code/GraphMol/molopstest.cpp:2985	[]	void	[]
testSFNetIssue2313979 in /src/rdkit/Code/GraphMol/molopstest.cpp:3618	[]	void	[]
testSanitizeNonringAromatics in /src/rdkit/Code/GraphMol/molopstest.cpp:3664	[]	void	[]
testSFNetIssue3525076 in /src/rdkit/Code/GraphMol/molopstest.cpp:4141	[]	void	[]
testSFNetIssue249 in /src/rdkit/Code/GraphMol/molopstest.cpp:4677	[]	void	[]
testGithubIssue754 in /src/rdkit/Code/GraphMol/molopstest.cpp:6762	[]	void	[]
testGithub1605 in /src/rdkit/Code/GraphMol/molopstest.cpp:7515	[]	void	[]
testGithub1622 in /src/rdkit/Code/GraphMol/molopstest.cpp:7536	[]	void	[]
testGithub1703 in /src/rdkit/Code/GraphMol/molopstest.cpp:7659	[]	void	[]
testGithub1614 in /src/rdkit/Code/GraphMol/molopstest.cpp:7688	[]	void	[]
testGithub1810 in /src/rdkit/Code/GraphMol/molopstest.cpp:7896	[]	void	[]
testIsRingFused in /src/rdkit/Code/GraphMol/molopstest.cpp:8590	[]	void	[]
testAdjustQueryProperties in /src/rdkit/Code/GraphMol/molopstest.cpp:5768	[]	void	[]
RDKit::Abbreviations::Utils::parseLinkers in /src/rdkit/Code/GraphMol/Abbreviations/Abbreviations.h:95	['std::string']	std::vector	[]
JSMolBase::condense_abbreviations in /src/rdkit/Code/MinimalLib/minilib.cpp:485	['double', 'bool']	std::string	[]
JSMolBase::condense_abbreviations_from_defs in /src/rdkit/Code/MinimalLib/minilib.cpp:497	['std::string', 'double', 'bool']	std::string	[]
RDKit::adjustQueryPropertiesHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:880	['ROMol', 'python::object']	ROMol	[]
testGenericQueries in /src/rdkit/Code/GraphMol/GenericGroups/generic_tests.cpp:836	[]	void	[]
RDDepict::prepareTemplateForRGroups in /src/rdkit/Code/GraphMol/Depictor/DepictUtils.cpp:542	['RDKit::RWMol']	std::unique_ptr	[]
RDKit::ResonanceMolSupplier::assignBondsFormalCharges in /src/rdkit/Code/GraphMol/Resonance.cpp:1831	['std::vector ']	ROMol	[]
testIssue164 in /src/rdkit/Code/GraphMol/testPickler.cpp:150	[]	void	[]
MolOps::Hybridizations::Hybridizations(constROMol&mol) in /src/rdkit/Code/GraphMol/MolOps.cpp:459	['ROMol']	void	[]
testGetMolFrags in /src/rdkit/Code/GraphMol/molopstest.cpp:5496	[]	void	[]
RDKit::RxnMolToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/MoleculeParser.cpp:71	['ROMol']	ChemicalReaction	[]
RDKit::addReactionToPNGStringHelper in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:490	['ChemicalReaction', 'python::object', 'bool', 'bool', 'bool', 'bool']	python::object	[]
RDKit::addReactionToPNGFileHelper in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:504	['ChemicalReaction', 'python::object', 'bool', 'bool', 'bool', 'bool']	python::object	[]
RDKit::addReactionMetadata in /src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp:266	['ChemicalReaction', 'std::vector >']	void	[]
RDKit::ChemicalReactionToCXRxnSmarts in /src/rdkit/Code/GraphMol/ChemReactions/ReactionWriter.cpp:157	['ChemicalReaction', 'SmilesWriteParams', 'std::uint32_t']	std::string	[]
RDKit::ChemicalReactionToCXRxnSmiles in /src/rdkit/Code/GraphMol/ChemReactions/ReactionWriter.cpp:164	['ChemicalReaction', 'SmilesWriteParams', 'std::uint32_t']	std::string	[]
~Tempfile() in /src/rdkit/External/YAeHMOP/EHTTools.cpp:53	[]	void	[]
RDKit::MolStandardize::LargestFragmentChooser::choose in /src/rdkit/Code/GraphMol/MolStandardize/Fragment.cpp:181	['ROMol']	ROMol	[]
RDKit::MolStandardize::FragmentValidation::validate in /src/rdkit/Code/GraphMol/MolStandardize/Validate.cpp:87	['ROMol', 'bool']	std::vector	[]
RDKit::MolStandardize::Normalizer::normalize in /src/rdkit/Code/GraphMol/MolStandardize/Normalize.cpp:156	['ROMol']	ROMol	[]
RDKit::MolHash::SplitMolecule in /src/rdkit/Code/GraphMol/MolHash/normalize.cpp:53	['RWMol*', 'std::vector ']	void	[]
testFragmentOnSomeBonds in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1815	[]	void	[]
RDKit::deleteSubstructs in /src/rdkit/Code/GraphMol/ChemTransforms/ChemTransforms.cpp:103	['ROMol', 'ROMol', 'bool', 'bool']	ROMol	[]
testMACCS in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2301	[]	void	[]
testGitHubIssue195 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2845	[]	void	[]
test_fingerprints in /src/rdkit/Code/MinimalLib/cffi_test.c:648	[]	void	[]
test_partial_sanitization in /src/rdkit/Code/MinimalLib/cffi_test.c:2151	[]	void	[]
JSMolBase::get_maccs_fp in /src/rdkit/Code/MinimalLib/minilib.cpp:284	[]	std::string	[]
get_maccs_fp_as_uint8array in /src/rdkit/Code/MinimalLib/jswrapper.cpp:335	['JSMolBase']	emscripten::val	[]
computeNMMolHash in /src/rdkit/Code/PgSQL/rdkit/adapter.cpp:2124	['CROMol', 'char*']	char	[]
MolHashHelper in /src/rdkit/Code/GraphMol/MolHash/Wrap/rdMolHash.cpp:20	['ROMol', 'MolHash::HashFunction', 'bool', 'unsigned']	std::string	[]
RDMolecule::GetSmiles in /src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDMolImpl.cpp:38	['char**']	NS_IMETHODIMP	[]
RDKit::pickCanonical in /src/rdkit/Code/GraphMol/MolStandardize/Tautomer.h:394	['Iterable']	ROMol	[]
RDKit::MolToText in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupUtils.cpp:140	['ROMol']	std::string	[]
RDKit::addFingerprintToRGroupData in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp:49	['RGroupData*']	void	[]
RDKit::MolToRandomSmilesHelper in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:549	['ROMol', 'unsigned int', 'unsigned int', 'bool', 'bool', 'bool', 'bool']	python::list	[]
fragmentMolHelper in /src/rdkit/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp:20	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'std::string', 'bool']	python::tuple	[]
fragmentMolHelper2 in /src/rdkit/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp:49	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'unsigned int', 'std::string', 'bool']	python::tuple	[]
fragmentMolHelper3 in /src/rdkit/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp:79	['RDKit::ROMol', 'python::object', 'unsigned int', 'unsigned int', 'bool']	python::tuple	[]
testCarboxylicAcids in /src/rdkit/Code/GraphMol/StructChecker/testStructChecker.cpp:801	[]	void	[]
RDKit::Add2DCoordsToMol in /src/rdkit/Code/GraphMol/Depictor/Basement/Depictor.cpp:35	['ROMol', 'bool']	int	[]
testEEM2 in /src/rdkit/Code/GraphMol/Descriptors/testEEM.cpp:109	[]	void	[]
testSeq in /src/rdkit/Code/GraphMol/FileParsers/testSequence.cpp:36	['char*']	void	[]
testHELM in /src/rdkit/Code/GraphMol/FileParsers/testSequence.cpp:45	['char*']	void	[]
RDKit::addMoleculeMetadata in /src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp:240	['ROMol', 'int', 'std::vector >', 'unsigned']	void	[]
RDKit::addMolToPNGStringHelper in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:608	['ROMol', 'python::object', 'bool', 'bool', 'bool']	python::object	[]
RDKit::addMolToPNGFileHelper in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:596	['ROMol', 'python::object', 'bool', 'bool', 'bool']	python::object	[]
RDKit::GetMolFrags in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:617	['ROMol', 'bool', 'bool']	python::tuple	[]
largestFragmentOnly in /src/rdkit/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp:40	['RDKit::RascalMCES::RascalResult']	void	[]
RDKit::RascalMCES::RascalResult::trimSmallFrags in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:148	['unsigned int']	void	[]
RDKit::RascalMCES::RascalResult::getLargestFragSize in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:658	[]	unsigned int	[]
RDKit::RascalMCES::RascalResult::getNumFrags in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:616	[]	int	[]
RDKit::rascalClusterWrapper in /src/rdkit/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp:126	['python::object', 'python::object']	python::list	[]
RDKit::findMCESWrapper in /src/rdkit/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp:82	['ROMol', 'ROMol', 'python::object']	python::list	[]
RDKit::SynthonSpaceSearch::SynthonSpaceRascalSearcher::verifyHit in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.cpp:180	['ROMol']	bool	[]
testUFFBuilder1 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:208	[]	void	[]
testUFFBuilder2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:360	[]	void	[]
testSFIssue1653802 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:648	[]	void	[]
mmffValidationSuite in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:211	['int', 'char*[]']	int	[]
testMMFFAllConstraints in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:1403	[]	void	[]
testMMFFTorsionConstraints in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:1608	[]	void	[]
testMMFFCopy in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:1670	[]	void	[]
testMMFFButaneScan in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:1765	[]	void	[]
testAddConformersFromTrajectory in /src/rdkit/Code/GraphMol/Trajectory/trajectoryTest.cpp:309	[]	void	[]
RDKit::MMFFOptimizeMolecule in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:114	['ROMol']	int	[]
RDKit::MMFFGetMoleculeForceField in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:153	['ROMol', 'ForceFields::PyMMFFMolProperties*']	ForceFields::PyForceField	[]
testIssue239 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:440	[]	void	[]
testCalcEnergyPassedCoords in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:471	[]	void	[]
testCalcGrad in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:512	[]	void	[]
testSFIssue2378119 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:696	[]	void	[]
testMMFFBuilder2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:311	[]	void	[]
testMMFFBatch in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:395	[]	void	[]
testIssue242 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:569	[]	void	[]
testGithub308 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:627	[]	void	[]
runblock_mmff in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp:36	['std::vector ']	void	[]
testMMFFMultiThread3 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:994	[]	void	[]
testGithub6728 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:1072	[]	void	[]
RDKit::MMFFConfsHelper in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:52	['ROMol', 'int', 'int', 'std::string', 'double', 'bool']	python::object	[]
testMMFFMultiThread2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:956	[]	void	[]
testMMFFO3AConstraints in /src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp:196	[]	void	[]
testCrippenO3AConstraints in /src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp:244	[]	void	[]
testMMFFBuilder1 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:146	[]	void	[]
RDKit::StructureCheck::StripSmallFragments in /src/rdkit/Code/GraphMol/StructChecker/StripSmallFragments.cpp:39	['RWMol', 'bool']	bool	[]
testValidRingSystemTemplates in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:1781	[]	void	[]
RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::search in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp:53	[]	SearchResults	[]
RDKit::SynthonSpaceSearch::SynthonSpaceSubstructureSearcher::extraSearchSetup in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp:216	['std::vector >>']	void	[]
RDKit::SynthonSpaceSearch::SynthonSet::makeSynthonSearchMols in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp:266	[]	void	[]
RDKit::SynthonSpaceSearch::Synthon::setSearchMol in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/Synthon.cpp:111	['std::unique_ptr ']	void	[]
RDKit::MolEnumerator::LinkNodeOp::initFromMol in /src/rdkit/Code/GraphMol/MolEnumerator/LinkNode.cpp:32	[]	void	[]
testFragmentation in /src/rdkit/Code/GraphMol/FileParsers/file_parsers_catch.cpp:7156	['FragTest']	void	[]
test_get_mol_frags in /src/rdkit/Code/MinimalLib/cffi_test.c:1339	[]	void	[]
JSMolBase::get_frags in /src/rdkit/Code/MinimalLib/minilib.cpp:550	['std::string']	std::pair	[]
testMolFragsWithQuery in /src/rdkit/Code/GraphMol/molopstest.cpp:5191	[]	void	[]
RDKit::splitMolByPDBResidues in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:209	['ROMol', 'python::object', 'bool']	python::dict	[]
RDKit::splitMolByPDBChainId in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:233	['ROMol', 'python::object', 'bool']	python::dict	[]
testMisc in /src/rdkit/Code/GraphMol/test1.cpp:431	[]	void	[]
testDegree in /src/rdkit/Code/GraphMol/test1.cpp:513	[]	void	[]
testIssue2381580 in /src/rdkit/Code/GraphMol/test1.cpp:624	[]	void	[]
testIssue2840217 in /src/rdkit/Code/GraphMol/test1.cpp:761	[]	void	[]
testGithub1843 in /src/rdkit/Code/GraphMol/test1.cpp:1592	[]	void	[]
testSMILES in /src/rdkit/Code/GraphMol/memtest1.cpp:38	[]	void	[]
testMol in /src/rdkit/Code/GraphMol/memtest1.cpp:69	[]	void	[]
RDKit::RxnOps::sanitizeRxnAsMols in /src/rdkit/Code/GraphMol/ChemReactions/SanitizeRxn.cpp:415	['ChemicalReaction', 'unsigned int']	void	[]
test4MultipleProducts in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:351	[]	void	[]
test15Issue1882749 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:1484	[]	void	[]
test17Issue1920627 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:1712	[]	void	[]
test19Issue2050085 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2113	[]	void	[]
test20BondQueriesInProduct in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2155	[]	void	[]
test21Issue2540021 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2245	[]	void	[]
test22DotsToRemoveBonds in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2319	[]	void	[]
test23Pickling in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2366	[]	void	[]
test28RxnDepictor in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2887	[]	void	[]
test41Github233 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:3999	[]	void	[]
test49ParensInProducts2 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:4759	[]	void	[]
test54RedundantProductMappingNumbersAndRSChirality in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:5094	[]	void	[]
test55RedundantProductMappingNumbersAndEZStereochemistry in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:5376	[]	void	[]
testDblBondCrash in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:7317	[]	void	[]
RDKit::removeNonmatchingReagents in /src/rdkit/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp:114	['ChemicalReaction', 'BBS', 'EnumerationParams']	BBS	[]
testChargedAromatics in /src/rdkit/Code/GraphMol/MolStandardize/testCharge.cpp:221	[]	void	[]
RDKit::MolStandardize::Operations::prepareForValidation in /src/rdkit/Code/GraphMol/MolStandardize/Pipeline.cpp:149	['RWMOL_SPTR', 'PipelineResult']	RWMOL_SPTR	[]
RDKit::MolStandardize::Operations::prepareForStandardization in /src/rdkit/Code/GraphMol/MolStandardize/Pipeline.cpp:268	['RWMOL_SPTR', 'PipelineResult']	RWMOL_SPTR	[]
RDKit::MolStandardize::Normalizer::normalizeInPlace in /src/rdkit/Code/GraphMol/MolStandardize/Normalize.cpp:96	['RWMol']	void	[]
testEnumerateTautomerSmiles in /src/rdkit/Code/GraphMol/MolStandardize/test1.cpp:614	[]	void	[]
testMetalDisconnector in /src/rdkit/Code/GraphMol/MolStandardize/test1.cpp:113	[]	void	[]
testMetalDisconnectorLigandExpo in /src/rdkit/Code/GraphMol/MolStandardize/test1.cpp:625	[]	void	[]
RDKit::MolStandardize::TautomerEnumerator::enumerate in /src/rdkit/Code/GraphMol/MolStandardize/Tautomer.cpp:247	['ROMol']	TautomerEnumeratorResult	[]
testMurckoDecomp in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1062	[]	void	[]
testFragmentOnBRICSBonds in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1662	[]	void	[]
testGithubIssue429 in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1877	[]	void	[]
RDKit::RCore::extractCoreFromMolMatch in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupCore.cpp:67	['ROMol', 'MatchVectType', 'RGroupDecompositionParameters']	RWMOL_SPTR	[]
testForceTransAmides in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:2270	[]	void	[]
testGithub983 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1942	[]	void	[]
test10DrawSecondMol in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2278	[]	void	[]
inorganicSanitize in /src/rdkit/Code/GraphMol/SmilesParse/nontetrahedral_tests.cpp:27	['RDKit::RWMol']	void	[]
RDKit::sanitizeMol in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:403	['ROMol', 'boost::uint64_t', 'bool']	MolOps::SanitizeFlags	[]
RDKit::RascalMCES::RascalResult::getMcesMol in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:678	[]	std::shared_ptr	[]
testUFFBatch in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:575	[]	void	[]
testUFFBuilderSpecialCases in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:623	[]	void	[]
RDKit::SanitizeMMFFMol in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:133	['ROMol']	unsigned int	[]
RDKit::ScaffoldNetwork::createScaffoldNetwork in /src/rdkit/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h:140	['T', 'ScaffoldNetworkParams']	ScaffoldNetwork	[]
testGitHubIssue92 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:1655	[]	void	[]
RDKit::SynthonSpaceSearch::SynthonSet::enumerateToStream in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp:192	['std::ostream']	void	[]
RDKit::SynthonSpaceSearch::SynthonSet::buildAddAndSubtractFPs in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp:444	['FingerprintGenerator ', 'unsigned int']	void	[]
RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::buildAndVerifyHit in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp:84	['SynthonSpaceHitSet*', 'std::vector ']	std::unique_ptr	[]
RDKit::SynthonSpaceSearch::buildSampleMolecules in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp:221	['std::vector >>', 'size_t', 'SynthonSet']	std::vector >	[]
testSDMemoryCorruption in /src/rdkit/Code/GraphMol/FileParsers/testMolWriter.cpp:496	[]	void	[]
MolAtropTest::RunTests in /src/rdkit/Code/GraphMol/FileParsers/testAtropisomers.cpp:336	[]	void	[]
RDKit::v1::TPLDataStreamToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:224	['std::istream*', 'unsigned int']	RWMol	[]
RDKit::v1::TPLFileToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:248	['std::string']	RWMol	[]
RDKit::DeprotectWrap in /src/rdkit/Code/GraphMol/Deprotect/Wrap/DeprotectWrap.cpp:18	['ROMol', 'python::object']	boost::shared_ptr	[]
RDKit::DeprotectInPlaceWrap in /src/rdkit/Code/GraphMol/Deprotect/Wrap/DeprotectWrap.cpp:29	['ROMol', 'python::object']	bool	[]
RDKit::cleanUpOrganometallicsMol in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:446	['ROMol']	void	[]
RDKit::CanonicalizeEnhancedStereo in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:764	['ROMol']	void	[]
RDKit::MolStandardize::Uncharger::uncharge in /src/rdkit/Code/GraphMol/MolStandardize/Charge.cpp:374	['ROMol']	ROMol	[]
RDKit::CanonicalRankAtoms in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:467	['ROMol']	std::vector	[]
RDKit::Chirality::assignLegacyCIPLabels in /src/rdkit/Code/GraphMol/Chirality.cpp:1961	['ROMol', 'bool']	void	[]
testChiralityAndRemoveHs in /src/rdkit/Code/GraphMol/molopstest.cpp:2764	[]	void	[]
testGithubIssue1021 in /src/rdkit/Code/GraphMol/molopstest.cpp:7313	[]	void	[]
testRemoveAndTrackIsotopes in /src/rdkit/Code/GraphMol/molopstest.cpp:8021	[]	void	[]
testMol1 in /src/rdkit/Code/GraphMol/testChirality.cpp:33	[]	void	[]
testRoundTrip in /src/rdkit/Code/GraphMol/testChirality.cpp:121	[]	void	[]
testMol2 in /src/rdkit/Code/GraphMol/testChirality.cpp:268	[]	void	[]
testIssue2762917 in /src/rdkit/Code/GraphMol/testChirality.cpp:1870	[]	void	[]
testIssue3009911 in /src/rdkit/Code/GraphMol/testChirality.cpp:2007	[]	void	[]
testFindChiralAtoms in /src/rdkit/Code/GraphMol/testChirality.cpp:2168	[]	void	[]
testGithub87 in /src/rdkit/Code/GraphMol/testChirality.cpp:2292	[]	void	[]
testGithub90 in /src/rdkit/Code/GraphMol/testChirality.cpp:2332	[]	void	[]
testGithub553 in /src/rdkit/Code/GraphMol/testChirality.cpp:2395	[]	void	[]
testGithub803 in /src/rdkit/Code/GraphMol/testChirality.cpp:2452	[]	void	[]
testGithub4494 in /src/rdkit/Code/GraphMol/testChirality.cpp:3136	[]	void	[]
RDKit::molToSmarts in /src/rdkit/Code/GraphMol/SmilesParse/SmartsWrite.cpp:827	['ROMol', 'SmilesWriteParams', 'std::vector ', 'boost::dynamic_bitset<>*']	std::string	[]
RDKit::EnumerateStereoisomers::StereoisomerEnumerator::next in /src/rdkit/Code/GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.cpp:69	[]	std::unique_ptr	[]
test12DoubleBondStereochem in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:1276	[]	void	[]
RDKit::MolStandardize::Operations::standardize in /src/rdkit/Code/GraphMol/MolStandardize/Pipeline.cpp:283	['RWMOL_SPTR', 'PipelineResult', 'PipelineOptions']	RWMOL_SPTR	[]
RDKit::MolStandardize::TautomerEnumerator::canonicalize in /src/rdkit/Code/GraphMol/MolStandardize/Tautomer.cpp:567	['ROMol', 'boost::function ']	ROMol	[]
RDKit::MolStandardize::TautomerEnumerator::canonicalizeInPlace in /src/rdkit/Code/GraphMol/MolStandardize/Tautomer.cpp:580	['RWMol', 'boost::function ']	void	[]
blobToAtomPairFingerprint in /src/rdkit/Code/Demos/sqlite/rdk_funcs.cpp:251	['sqlite3_context', 'int', 'sqlite3_value*']	void	[]
testAtomPairOld in /src/rdkit/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp:163	[]	void	[]
testRootedAtomPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1622	[]	void	[]
testIgnoreAtomPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1654	[]	void	[]
testChiralPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2434	[]	void	[]
testPairsAndTorsionsOptions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2039	[]	void	[]
testGitHubIssue25 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2642	[]	void	[]
testGitHubIssue334 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:3051	[]	void	[]
testAtomPairFPDifference in /src/rdkit/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp:2427	[]	void	[]
testAtomPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1386	[]	void	[]
testAtomPairs2 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1439	[]	void	[]
testGitHubIssue1993 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:3541	[]	void	[]
GetAtomPairFingerprint in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:213	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'python::object', 'bool', 'bool', 'int']	RDKit::SparseIntVect	[]
GetHashedAtomPairFingerprintAsBitVect in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:312	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'python::object', 'unsigned int', 'bool', 'bool', 'int']	ExplicitBitVect	[]
testHashedAtomPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1463	[]	void	[]
test3DAtomPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2781	[]	void	[]
GetHashedAtomPairFingerprint in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:231	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'python::object', 'bool', 'bool', 'int']	RDKit::SparseIntVect	[]
testTopologicalTorsionFPOld in /src/rdkit/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp:1574	[]	void	[]
testTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1510	[]	void	[]
testBulkTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1604	[]	void	[]
testRootedTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1729	[]	void	[]
testIgnoreTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1761	[]	void	[]
testChiralTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2537	[]	void	[]
testGitHubIssue811 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:3216	[]	void	[]
GetTopologicalTorsionFingerprint in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:250	['RDKit::ROMol', 'unsigned int', 'python::object', 'python::object', 'python::object', 'bool']	RDKit::SparseIntVect	[]
testHashedTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1555	[]	void	[]
GetHashedTopologicalTorsionFingerprint in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:275	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'python::object', 'bool']	RDKit::SparseIntVect	[]
GetHashedTopologicalTorsionFingerprintAsBitVect in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:293	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'python::object', 'unsigned int', 'bool']	ExplicitBitVect	[]
RDKit::FingerprintGenerator ::getSparseCountFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp:554	['std::vector ', 'int']	std::vector >>	[]
RDKit::FingerprintGenerator ::getSparseFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp:532	['std::vector ', 'int']	std::vector >	[]
RDKit::FingerprintGenerator ::getCountFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp:543	['std::vector ', 'int']	std::vector >>	[]
RDKit::FingerprintGenerator ::getFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp:521	['std::vector ', 'int']	std::vector >	[]
testStereochem in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:336	[]	void	[]
testIssue153 in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:984	[]	void	[]
testIssue157 in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:1057	[]	void	[]
testBug1844617 in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:1911	[]	void	[]
testBug1844959 in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:2016	[]	void	[]
RDKitDraw::paintEvent in /src/rdkit/Code/Demos/RDKit/Draw/qtDemo/qtdraw_demo.cc:42	['QPaintEvent*']	void	[]
DepictDemo in /src/rdkit/Code/Demos/RDKit/GettingStarted/sample.cpp:191	[]	void	[]
RDKit::Compute2DCoordsForReaction in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:266	['RDKit::ChemicalReaction']	void	[]
MolGetSVG in /src/rdkit/Code/PgSQL/rdkit/adapter.cpp:855	['CROMol', 'unsigned int', 'unsigned int', 'char', 'char']	char	[]
RDKit::prepareAndDrawMoleculeHelper in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:267	['MolDraw2D', 'ROMol', 'std::string', 'python::object', 'python::object', 'python::object', 'python::object', 'python::object', 'int', 'bool']	void	[]
RDKit::MinimalLib::DrawerFromDetails::draw_mol in /src/rdkit/Code/MinimalLib/common_defs.h:81	['ROMol']	std::string	[]
draw_to_canvas in /src/rdkit/Code/MinimalLib/jswrapper.cpp:83	['JSMolBase', 'emscripten::val', 'int', 'int']	std::string	[]
RDKit::MolDraw2D::drawReaction in /src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2D.cpp:280	['ChemicalReaction', 'bool', 'std::vector ', 'std::vector ']	void	[]
RDKit::MolDraw2D_detail::DrawMol::initDrawMolecule in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:172	['ROMol']	void	[]
test8PrepareMolForDrawing in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1255	[]	void	[]
testGithub852 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1658	[]	void	[]
testGithub860 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1774	[]	void	[]
testGithub910 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1856	[]	void	[]
testGithub932 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1902	[]	void	[]
testGithub953 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1922	[]	void	[]
testCrossedBonds in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2258	[]	void	[]
test11DrawMolGrid in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2429	[]	void	[]
test13JSONConfig in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2595	[]	void	[]
testGithub1090 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2660	[]	void	[]
testGithub1035 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2692	[]	void	[]
testGithub1271 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2742	[]	void	[]
testGithub1322 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2874	[]	void	[]
test14BWPalette in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2951	[]	void	[]
test16MoleculeMetadata in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3076	[]	void	[]
testGithub2063 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3485	[]	void	[]
testGithub2151 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3560	[]	void	[]
testGithub2762 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3604	[]	void	[]
testGithub3112 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3845	[]	void	[]
test23JSONAtomColourPalette in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:4584	[]	void	[]
testGithub4496 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:4621	[]	void	[]
RDKit::prepMolForDrawing in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:430	['ROMol*', 'bool', 'bool', 'bool', 'bool', 'bool']	ROMol	[]
test_io in /src/rdkit/Code/MinimalLib/cffi_test.c:198	[]	void	[]
test_modifications in /src/rdkit/Code/MinimalLib/cffi_test.c:762	[]	void	[]
test_coords in /src/rdkit/Code/MinimalLib/cffi_test.c:873	[]	void	[]
test_wedging_all_within_scaffold in /src/rdkit/Code/MinimalLib/cffi_test.c:1545	[]	void	[]
test_wedging_outside_scaffold in /src/rdkit/Code/MinimalLib/cffi_test.c:1685	[]	void	[]
test_wedging_if_no_match in /src/rdkit/Code/MinimalLib/cffi_test.c:1816	[]	void	[]
test_get_molblock_use_molblock_wedging in /src/rdkit/Code/MinimalLib/cffi_test.c:2920	[]	void	[]
test_get_mol_remove_hs in /src/rdkit/Code/MinimalLib/cffi_test.c:3119	[]	void	[]
JSMolBase::get_molblock in /src/rdkit/Code/MinimalLib/minilib.cpp:154	['std::string']	std::string	[]
JSMolBase::get_v3Kmolblock in /src/rdkit/Code/MinimalLib/minilib.cpp:157	['std::string']	std::string	[]
RDKit::molToACS1996SVG in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:710	['ROMol', 'std::string', 'python::object', 'python::object', 'python::object', 'python::object', 'python::object', 'int']	std::string	[]
testGithub781 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1383	[]	void	[]
testGithub774 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1562	[]	void	[]
test9MolLegends in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1638	[]	void	[]
testDeuteriumTritium in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2073	[]	void	[]
testGithub2931 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3636	[]	void	[]
test21FontFile in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:4134	[]	void	[]
test22ExplicitMethyl in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:4174	[]	void	[]
testGithub3305 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:4208	[]	void	[]
RDKit::MolDisplay2DWidget::set_display_mol in /src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/MolDisplay2DWidget.cc:38	['ROMOL_SPTR']	void	[]
RDKit::MolToV2KMolBlockHelper in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:768	['ROMol', 'python::object', 'int']	std::string	[]
testAddHs in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:182	[]	void	[]
testRemoveHsCrash in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:444	[]	void	[]
testIssue2091304 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:456	[]	void	[]
testGitHubIssue910 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:784	[]	void	[]
testGitHubIssue1073 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:817	[]	void	[]
testGitHubIssue1112 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:873	[]	void	[]
testGitHubIssue1286 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:894	[]	void	[]
testGithub1691 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:965	[]	void	[]
testGithub2027 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:1039	[]	void	[]
RDDepict::GenerateDepictionMatching3DStructure in /src/rdkit/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp:174	['RDKit::ROMol', 'RDKit::ROMol', 'int', 'python::object', 'bool']	void	[]
RDDepict::Compute2DCoords in /src/rdkit/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp:33	['RDKit::ROMol', 'bool', 'bool', 'python::dict']	unsigned int	[]
testCisTrans in /src/rdkit/Code/GraphMol/FileParsers/testMolSupplier.cpp:1014	[]	void	[]
testStereoRound in /src/rdkit/Code/GraphMol/FileParsers/testMolSupplier.cpp:1054	[]	void	[]
RDKit::_MolToMaeCtBlock in /src/rdkit/Code/GraphMol/FileParsers/MaeWriter.cpp:492	['ROMol', 'int', 'STR_VECT']	std::shared_ptr	[]
JSMolBase::set_new_coords in /src/rdkit/Code/MinimalLib/minilib.cpp:392	['bool']	bool	[]
JSMolBase::get_new_coords in /src/rdkit/Code/MinimalLib/minilib.cpp:405	['bool']	std::string	[]
RDDepict::Compute2DCoordsMimicDistmat in /src/rdkit/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp:65	['RDKit::ROMol', 'python::object', 'bool', 'bool', 'double', 'unsigned int', 'unsigned int', 'int', 'bool']	unsigned int	[]
RDKit::Descriptors::numAtomStereoCenters in /src/rdkit/Code/GraphMol/Descriptors/Lipinski.cpp:510	['ROMol']	unsigned int	[]
RDKit::Descriptors::numUnspecifiedAtomStereoCenters in /src/rdkit/Code/GraphMol/Descriptors/Lipinski.cpp:532	['ROMol']	unsigned int	[]
RDKit::SynthonSpaceSearch::Synthon::readFromDBStream in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/Synthon.cpp:151	['std::istream', 'std::uint32_t']	void	[]
JSMolBase::remove_hs_in_place in /src/rdkit/Code/MinimalLib/minilib.cpp:462	['std::string']	bool	[]
JSMolBase::get_stereo_tags in /src/rdkit/Code/MinimalLib/minilib.cpp:310	[]	std::string	[]
JSMolBase::add_hs_in_place in /src/rdkit/Code/MinimalLib/minilib.cpp:478	[]	bool	[]
testPotentialStereoBonds in /src/rdkit/Code/GraphMol/molopstest.cpp:6492	[]	void	[]
testSetBondStereo in /src/rdkit/Code/GraphMol/molopstest.cpp:6623	[]	void	[]
testIssue188 in /src/rdkit/Code/GraphMol/molopstest.cpp:1639	[]	void	[]
RDKit::wrapLayeredFingerprint in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:621	['ROMol', 'unsigned int', 'unsigned int', 'unsigned int', 'unsigned int', 'python::list', 'ExplicitBitVect*', 'bool', 'python::object']	ExplicitBitVect	[]
RDKit::findAllPathsOfLengthN in /src/rdkit/Code/GraphMol/Subgraphs/Subgraphs.cpp:551	['ROMol', 'unsigned int', 'bool', 'bool', 'int', 'bool']	PATH_LIST	[]
RDKit::BondMatchOrderMatrix::BondMatchOrderMatrix in /src/rdkit/Code/GraphMol/FMCS/FMCS.cpp:346	['bool']	void	[]
RDKit::MolDraw2D_detail::DrawMol::createDrawObjects in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:125	[]	void	[]
RDKit::MolDraw2D_detail::DrawMol::setTransformation in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:2878	['DrawMol']	void	[]
RDDepict::EmbeddedAtom in /src/rdkit/Code/GraphMol/Depictor/EmbeddedFrag.h:29	[]	class RDKIT_DEPICTOR_EXPORT	[]
RDDepict::reflectPoints in /src/rdkit/Code/GraphMol/Depictor/DepictUtils.cpp:112	['RDGeom::INT_POINT2D_MAP', 'RDGeom::Point2D', 'RDGeom::Point2D']	void	[]
RDKit::DGeomHelpers::_isConfFarFromRest in /src/rdkit/Code/GraphMol/DistGeomHelpers/Embedder.cpp:1317	['ROMol', 'Conformer', 'double', 'std::vector >']	bool	[]
RDKit::alignMolConfs in /src/rdkit/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:31	['ROMol', 'python::object', 'python::object', 'python::object', 'bool', 'unsigned int', 'python::object']	void	[]
tempTest in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:337	[]	void	[]
testGithub4330 in /src/rdkit/External/AvalonTools/test1.cpp:488	[]	void	[]
testIssue210 in /src/rdkit/Code/GraphMol/molopstest.cpp:1933	[]	void	[]
testIssue212 in /src/rdkit/Code/GraphMol/molopstest.cpp:1970	[]	void	[]
testAddHsCoords in /src/rdkit/Code/GraphMol/molopstest.cpp:1996	[]	void	[]
testAddConformers in /src/rdkit/Code/GraphMol/molopstest.cpp:2423	[]	void	[]
testGithubIssue678 in /src/rdkit/Code/GraphMol/molopstest.cpp:6331	[]	void	[]
testGithubIssue908 in /src/rdkit/Code/GraphMol/molopstest.cpp:7251	[]	void	[]
testGithub1439 in /src/rdkit/Code/GraphMol/molopstest.cpp:7454	[]	void	[]
testGithub1990 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:2100	[]	void	[]
testGithub3854 in /src/rdkit/Code/GraphMol/molopstest.cpp:8321	[]	void	[]
testGitHub5406 in /src/rdkit/Code/GraphMol/resMolSupplierTest.cpp:964	[]	void	[]
test61Github685 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:5895	[]	void	[]
test65SanitizeUnmappedHs in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:6114	[]	void	[]
test66SanitizeMappedHs in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:6218	[]	void	[]
test67SanitizeMappedHsInReactantAndProd in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:6326	[]	void	[]
test68MappedHToHeavy in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:6454	[]	void	[]
RDKit::RGroupDecomposition::getMatchingCoreIdx in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupDecomp.cpp:152	['ROMol', 'std::vector *']	int	[]
testRandomCoords in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:828	[]	void	[]
testIssue1989539 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:885	[]	void	[]
testConstrainedEmbedding in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:912	[]	void	[]
testIssue2091974 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1005	[]	void	[]
testIssue2835784 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1026	[]	void	[]
testIssue3019283 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1076	[]	void	[]
testMultiThreadMultiConf in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1367	[]	void	[]
testGithub971 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1595	[]	void	[]
testEmbedParameters in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1662	[]	void	[]
testGithub1227 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1909	[]	void	[]
testGithub1240 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1935	[]	void	[]
testGithubPullRequest1635 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:2061	[]	void	[]
testGithub2246 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:2125	[]	void	[]
testDisableFragmentation in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:2212	[]	void	[]
testSymmetryPruning in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:2316	[]	void	[]
testProblems in /src/rdkit/Code/GraphMol/SmilesParse/smatest.cpp:430	[]	void	[]
testMatches in /src/rdkit/Code/GraphMol/SmilesParse/smatest.cpp:237	[]	void	[]
testMatches2 in /src/rdkit/Code/GraphMol/SmilesParse/smatest.cpp:247	[]	void	[]
testMatches3 in /src/rdkit/Code/GraphMol/SmilesParse/smatest.cpp:287	[]	void	[]
testMatches4 in /src/rdkit/Code/GraphMol/SmilesParse/smatest.cpp:374	[]	void	[]
testMatches5 in /src/rdkit/Code/GraphMol/SmilesParse/smatest.cpp:387	[]	void	[]
testMatches6 in /src/rdkit/Code/GraphMol/SmilesParse/smatest.cpp:407	[]	void	[]
testTransuranic in /src/rdkit/Code/GraphMol/SmilesParse/smatest.cpp:419	[]	void	[]
testSmartsStereochem in /src/rdkit/Code/GraphMol/SmilesParse/smatest.cpp:1160	[]	void	[]
testGithub313 in /src/rdkit/Code/GraphMol/SmilesParse/smatest.cpp:1471	[]	void	[]
testGithub314 in /src/rdkit/Code/GraphMol/SmilesParse/smatest.cpp:1505	[]	void	[]
testGithub1719 in /src/rdkit/Code/GraphMol/SmilesParse/smatest.cpp:2472	[]	void	[]
testGithub1920 in /src/rdkit/Code/GraphMol/SmilesParse/smatest.cpp:2487	[]	void	[]
RDKit::addHs in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:310	['ROMol', 'bool', 'bool', 'python::object', 'bool']	ROMol	[]
testUFFTyper2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:138	[]	void	[]
testMissingParams in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:919	[]	void	[]
testGitHubIssue62 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:999	[]	void	[]
testUFFParamGetters in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1038	[]	void	[]
testMMFFParamGetters in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:778	[]	void	[]
testMostSubstitutedCoreMatch in /src/rdkit/Code/GraphMol/Substruct/test1.cpp:1876	[]	void	[]
testGenerate2DDepictionAllowRGroupsOrig in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:1192	[]	void	[]
test3a in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:220	[]	void	[]
testTPSA in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:312	[]	void	[]
testMolFormula in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:631	[]	void	[]
MolLogP in /src/rdkit/Code/PgSQL/rdkit/adapter.cpp:713	['CROMol']	double	[]
RDKit::Descriptors::calcClogP in /src/rdkit/Code/GraphMol/Descriptors/Crippen.cpp:124	['ROMol']	double	[]
RDKit::Descriptors::calcMR in /src/rdkit/Code/GraphMol/Descriptors/Crippen.cpp:130	['ROMol']	double	[]
testIssue262 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:143	[]	void	[]
testIssue3433771 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:807	[]	void	[]
testPMI2 in /src/rdkit/Code/GraphMol/Descriptors/test3D.cpp:209	[]	void	[]
testGithub357 in /src/rdkit/Code/GraphMol/FileParsers/testMolWriter.cpp:1427	[]	void	[]
JSMolBase::add_hs in /src/rdkit/Code/MinimalLib/minilib.cpp:468	[]	std::string	[]
testSetTerminalAtomCoords in /src/rdkit/Code/GraphMol/molopstest.cpp:8437	[]	void	[]
RDKit::replaceCoreHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:918	['ROMol', 'ROMol', 'python::object', 'bool', 'bool']	ROMol	[]
RDKit::RGroupDecomposition::getRGroupsAsRows in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupDecomp.cpp:694	[]	RGroupRows	[]
RDKit::RGroupDecomposition::getRGroupLabels in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupDecomp.cpp:595	[]	std::vector	[]
RDKit::RGroupDecompositionParameters::addDummyAtomsToUnlabelledCoreAtoms in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.cpp:311	['RWMol']	void	[]
RDKit::RGroupDecompData::process in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupDecompData.cpp:632	['bool', 'bool']	RGroupDecompositionProcessResult	[]
testUFFAllConstraints in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:1293	[]	void	[]
testUFFButaneScan in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:1551	[]	void	[]
testNormalizeStraighten in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:1567	[]	void	[]
JSMolBase::straighten_depiction in /src/rdkit/Code/MinimalLib/minilib.cpp:541	['bool']	void	[]
JSMolBase::normalize_depiction in /src/rdkit/Code/MinimalLib/minilib.cpp:534	['int', 'double']	double	[]
test_props in /src/rdkit/Code/MinimalLib/cffi_test.c:3050	[]	void	[]
test_capture_logs in /src/rdkit/Code/MinimalLib/cffi_test.c:2378	[]	void	[]
get_stdout_buf in /src/rdkit/Code/MinimalLib/cffi_test.c:2370	['CapturedStreams*', 'unsigned int']	char	[]
packetmath in /src/eigen/test/packetmath.cpp:524	[]	void	[]
sycl_device_test_per_device in /src/eigen/unsupported/test/cxx11_tensor_device_sycl.cpp:72	['cl::sycl::device']	void	[]
test_device_exceptions in /src/eigen/unsupported/test/cxx11_tensor_device_sycl.cpp:55	['Eigen::SyclDevice']	void	[]
test_sycl_memset_offsets in /src/eigen/unsupported/test/cxx11_tensor_sycl.cpp:151	['Eigen::SyclDevice']	void	[]
contractionRowMajor in /src/eigen/bench/tensors/tensor_contract_sycl_bench.cc:103	['Device', 'TensorIndex', 'TensorIndex', 'TensorIndex', 'TensorIndex']	void	[]
contractionAT in /src/eigen/bench/tensors/tensor_contract_sycl_bench.cc:154	['Device', 'TensorIndex', 'TensorIndex', 'TensorIndex', 'TensorIndex']	void	[]
contractionBT in /src/eigen/bench/tensors/tensor_contract_sycl_bench.cc:204	['Device', 'TensorIndex', 'TensorIndex', 'TensorIndex', 'TensorIndex']	void	[]
contractionABT in /src/eigen/bench/tensors/tensor_contract_sycl_bench.cc:255	['Device', 'TensorIndex', 'TensorIndex', 'TensorIndex', 'TensorIndex']	void	[]
Eigen::SuperLUBase::initFactorization in /src/eigen/Eigen/src/SuperLUSupport/SuperLUSupport.h:340	['MatrixType']	void	[]
Eigen::PardisoImpl::pardisoInit in /src/eigen/Eigen/src/PardisoSupport/PardisoSupport.h:182	['int']	void	[]

Sink functions/methods found for CWE416

Target sink

Reached by fuzzer

Function call path

Possible branch blockers

get

['/src/rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc']

N/A

Blocker function	Arguments type	Return type	Constants touched
testMultiThread2 in /src/rdkit/External/INCHI-API/test.cpp:112	[]	void	[]
GapeGa::StringChromosomeBase ::equals in /src/rdkit/External/GA/ga/StringChromosomeBase.h:90	['StringChromosomeBase']	bool	[]
RDKit::RGroupDecompositionChromosome::copyGene in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupGa.cpp:81	['StringChromosomeBase ']	void	[]
GapeGa::StringChromosomeBase ::twoPointCrossover in /src/rdkit/External/GA/ga/StringChromosomeBase.h:153	['StringChromosomeBase', 'StringChromosomeBase', 'StringChromosomeBase']	void	[]
GapeGa::StringChromosomeBase ::onePointCrossover in /src/rdkit/External/GA/ga/StringChromosomeBase.h:205	['StringChromosomeBase', 'StringChromosomeBase', 'StringChromosomeBase']	void	[]
GapeGa::StringChromosomeBase ::getString in /src/rdkit/External/GA/ga/StringChromosomeBase.h:261	[]	T	[]
GarethUtil::filterUniquePtrListToRawPtrList in /src/rdkit/External/GA/util/Util.h:301	['std::vector >', 'function ']	std::vector	[]
GarethUtil::filterUniquePtrListToConstRawPtrList in /src/rdkit/External/GA/util/Util.h:322	['std::vector >', 'function ']	std::vector	[]
RDKit::MultiFPBReader in /src/rdkit/Code/DataStructs/MultiFPBReader.h:53	[]	class RDKIT_DATASTRUCTS_EXPORT	[]
RDKit::DiscreteValueVect::getData in /src/rdkit/Code/DataStructs/DiscreteValueVect.cpp:94	[]	std::uint32_t	[]
RDKit::DiscreteValueVect::toString in /src/rdkit/Code/DataStructs/DiscreteValueVect.cpp:150	[]	std::string	[]
real_qz in /src/eigen/test/real_qz.cpp:16	['MatrixType']	void	[]
schur in /src/eigen/test/schur_complex.cpp:15	[]	void	[]
tiny_blitz_interface::matrix_matrix_product in /src/eigen/bench/btl/libs/blitz/tiny_blitz_interface.hh:82	['gene_matrix', 'gene_matrix', 'gene_matrix', 'int']	void	[]
tiny_blitz_interface::matrix_vector_product in /src/eigen/bench/btl/libs/blitz/tiny_blitz_interface.hh:86	['gene_matrix', 'gene_vector', 'gene_vector', 'int']	void	[]
lu_non_invertible in /src/eigen/test/lu.cpp:21	[]	void	[]
product_extra in /src/eigen/test/product_extra.cpp:13	['MatrixType']	void	[]
quaternion in /src/eigen/test/geo_quaternion.cpp:47	[]	void	[]
check_stdlist_transform in /src/eigen/test/stdlist.cpp:44	[]	void	[]
check_stdlist_quaternion in /src/eigen/test/stdlist.cpp:71	[]	void	[]
integer_type_tests in /src/eigen/test/integer_types.cpp:46	['MatrixType']	void	[]
eigensolver in /src/eigen/test/eigensolver_complex.cpp:69	['MatrixType']	void	[]
bdcsvd_method in /src/eigen/test/bdcsvd.cpp:26	[]	void	[]
check_stddeque_transform in /src/eigen/test/stddeque.cpp:44	[]	void	[]
check_stddeque_quaternion in /src/eigen/test/stddeque.cpp:71	[]	void	[]
inverse_permutation_4x4 in /src/eigen/test/prec_inverse_4x4.cpp:15	[]	void	[]
selfadjointeigensolver in /src/eigen/test/eigensolver_selfadjoint.cpp:65	['MatrixType']	void	[]
test_simplicial_cholesky_T in /src/eigen/test/simplicial_cholesky.cpp:13	[]	void	[]
test_cholmod_T in /src/eigen/test/cholmod_support.cpp:67	[]	void	[]
test_umfpack_support_T in /src/eigen/test/umfpack_support.cpp:16	[]	void	[]
test_sparselu_T in /src/eigen/test/sparselu.cpp:22	[]	void	[]
array_real in /src/eigen/test/array_cwise.cpp:768	['ArrayType']	void	[]
array_complex in /src/eigen/test/array_cwise.cpp:922	['ArrayType']	void	[]
Eigen::LevenbergMarquardt ::lmstr1 in /src/eigen/unsupported/Eigen/src/NonLinearOptimization/LevenbergMarquardt.h:328	['FVectorType', 'Scalar']	LevenbergMarquardtSpace::Status	[]
Eigen::LevenbergMarquardt ::lmder1 in /src/eigen/unsupported/Eigen/src/LevenbergMarquardt/LevenbergMarquardt.h:324	['FVectorType', 'Scalar']	LevenbergMarquardtSpace::Status	[]
Eigen::MatrixPower ::compute in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixPower.h:444	['ResultType', 'RealScalar']	void	[]
Eigen::SparseQR ::analyzePattern in /src/eigen/Eigen/src/SparseQR/SparseQR.h:314	['MatrixType']	void	[]
Eigen::SparseQR ::factorize in /src/eigen/Eigen/src/SparseQR/SparseQR.h:356	['MatrixType']	void	[]
Eigen::SparseLU ::factorize in /src/eigen/Eigen/src/SparseLU/SparseLU.h:611	['MatrixType']	void	[]
Eigen::IncompleteCholesky::_solve_impl in /src/eigen/Eigen/src/IterativeLinearSolvers/IncompleteCholesky.h:150	['Rhs', 'Dest']	void	[]
Eigen::IncompleteLUT ::analyzePattern in /src/eigen/Eigen/src/IterativeLinearSolvers/IncompleteLUT.h:240	['MatrixType_']	void	[]
Eigen::PartialPivLU ::reconstructedMatrix in /src/eigen/Eigen/src/LU/PartialPivLU.h:525	[]	MatrixType	[]
Eigen::FullPivLU ::reconstructedMatrix in /src/eigen/Eigen/src/LU/FullPivLU.h:569	[]	MatrixType	[]
alignedboxNonIntegralRotatable in /src/eigen/test/geo_alignedbox.cpp:296	['BoxType']	void	[]
Eigen::Transform ::computeRotationScaling in /src/eigen/Eigen/src/Geometry/Transform.h:1052	['RotationMatrixType', 'ScalingMatrixType']	EIGEN_DEVICE_FUNC	[]
Eigen::Transform ::computeScalingRotation in /src/eigen/Eigen/src/Geometry/Transform.h:1083	['ScalingMatrixType', 'RotationMatrixType']	EIGEN_DEVICE_FUNC	[]
miscMatrices in /src/eigen/test/miscmatrices.cpp:13	['MatrixType']	void	[]
diagonalmatrices in /src/eigen/test/diagonalmatrices.cpp:18	['MatrixType']	void	[]
check_stdvector_quaternion in /src/eigen/test/stdvector.cpp:78	[]	void	[]
jacobisvd_method in /src/eigen/test/jacobisvd.cpp:23	[]	void	[]
run_test in /src/eigen/test/umeyama.cpp:83	['int', 'int']	void	[]
svd_preallocate in /src/eigen/test/svd_common.h:353	[]	void	[]
sparse_basic in /src/eigen/test/sparse_basic.cpp:25	['SparseMatrixType']	void	[]
Eigen::createRandomPIMatrixOfRank in /src/eigen/test/random_matrix_helper.h:60	['Index', 'Index', 'Index', 'MatrixType']	void	[]
Eigen::generateRandomMatrixSvs in /src/eigen/test/random_matrix_helper.h:169	['RealScalarVectorType', 'Index', 'Index', 'MatrixType']	void	[]
test_2856 in /src/eigen/test/bicgstab.cpp:30	[]	void	[]
run_fixed_size_test in /src/eigen/test/umeyama.cpp:112	['int']	void	[]
cholesky_cplx in /src/eigen/test/cholesky.cpp:271	['MatrixType']	void	[]
Action_cholesky::calculate in /src/eigen/bench/btl/actions/action_cholesky.hh:83	[]	void	[]
non_projective_only in /src/eigen/test/geo_transformations.cpp:28	[]	void	[]
transformations in /src/eigen/test/geo_transformations.cpp:87	[]	void	[]
transformations_no_scale in /src/eigen/test/geo_transformations.cpp:613	[]	void	[]
rotate4DZWAxis in /src/eigen/test/geo_alignedbox.cpp:197	['Scalar']	Rotation	[]
test_non_spd in /src/eigen/test/incomplete_cholesky.cpp:57	[]	void	[]
GpuHelper::pushProjectionMode2D in /src/eigen/demos/opengl/gpuhelper.cpp:28	['ProjectionMode2D']	void	[]
GpuHelper::drawVector in /src/eigen/demos/opengl/gpuhelper.cpp:48	['Vector3f', 'Vector3f', 'Color', 'float']	void	[]
GpuHelper::drawVectorBox in /src/eigen/demos/opengl/gpuhelper.cpp:67	['Vector3f', 'Vector3f', 'Color', 'float']	void	[]
randomTest in /src/eigen/unsupported/test/matrix_exponential.cpp:87	['MatrixType', 'double']	void	[]
Eigen::internal::idrs in /src/eigen/unsupported/Eigen/src/IterativeSolvers/IDRS.h:58	['MatrixType', 'Rhs', 'Dest', 'Preconditioner', 'Index', 'typename Dest::RealScalar', 'Index', 'bool', 'typename Dest::RealScalar', 'bool']	bool	[]
Eigen::internal::idrstabl in /src/eigen/unsupported/Eigen/src/IterativeSolvers/IDRSTABL.h:46	['MatrixType', 'Rhs', 'Dest', 'Preconditioner', 'Index', 'typename Dest::RealScalar', 'Index', 'Index']	bool	[]
Eigen::internal::companion::denseMatrix in /src/eigen/unsupported/Eigen/src/Polynomials/Companion.h:80	[]	DenseCompanionMatrixType	[]
Eigen::matrix_sqrt_quasi_triangular in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixSquareRoot.h:172	['MatrixType', 'ResultType']	void	[]
Eigen::internal::matrix_exp_pade3 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:76	['MatA', 'MatU', 'MatV']	void	[]
Eigen::internal::matrix_exp_pade5 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:92	['MatA', 'MatU', 'MatV']	void	[]
Eigen::internal::matrix_exp_pade7 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:109	['MatA', 'MatU', 'MatV']	void	[]
Eigen::internal::matrix_exp_pade9 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:127	['MatA', 'MatU', 'MatV']	void	[]
Eigen::internal::matrix_exp_pade13 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:148	['MatA', 'MatU', 'MatV']	void	[]
Eigen::internal::matrix_exp_pade17 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:186	['MatA', 'MatU', 'MatV']	void	[]
Eigen::MatrixPowerAtomic ::compute in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixPower.h:139	['ResultType']	void	[]
Eigen::internal::matrix_function_compute_mu in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixFunction.h:53	['MatrixType']	typename NumTraits ::Real	[]
Eigen::internal::MatrixFunctionAtomic ::compute in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixFunction.h:63	['MatrixType']	MatrixType	[]
Eigen::internal::matrix_log_compute_big in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixLogarithm.h:226	['MatrixType', 'MatrixType']	void	[]
Eigen::CompleteOrthogonalDecomposition::matrixZ in /src/eigen/Eigen/src/QR/CompleteOrthogonalDecomposition.h:151	[]	MatrixType	[]
&ComplexSchur ::compute(constEigenBase &matrix,boolcomputeU) in /src/eigen/Eigen/src/Eigenvalues/ComplexSchur.h:314	['EigenBase ', 'bool']	ComplexSchur	[]
Eigen::RealQZ ::hessenbergTriangular in /src/eigen/Eigen/src/Eigenvalues/RealQZ.h:217	[]	void	[]
testVectorType in /src/eigen/test/nullary.cpp:62	['VectorType']	void	[]
test_autodiff_hessian in /src/eigen/unsupported/test/autodiff.cpp:224	[]	void	[]
Eigen::internal::gmres in /src/eigen/unsupported/Eigen/src/IterativeSolvers/GMRES.h:59	['MatrixType', 'Rhs', 'Dest', 'Preconditioner', 'Index', 'Index', 'typename Dest::RealScalar']	bool	[]
operator()(constInputType&x,ValueTypev,JacobianType_jac,constParamsType&...Params)const in /src/eigen/unsupported/Eigen/src/AutoDiff/AutoDiffJacobian.h:47	['InputType', 'ValueType', 'JacobianType']	void	[]
eulerangles in /src/eigen/test/geo_eulerangles.cpp:97	[]	void	[]
eulerangles_manual in /src/eigen/unsupported/test/EulerAngles.cpp:185	[]	void	[]
eulerangles_rand in /src/eigen/unsupported/test/EulerAngles.cpp:217	[]	void	[]
Camera::right in /src/eigen/demos/opengl/camera.cpp:79	[]	Vector3f	[]
RenderingWidget::paintGL in /src/eigen/demos/opengl/quaternion_demo.cpp:407	[]	void	[]
RenderingWidget::mouseMoveEvent in /src/eigen/demos/opengl/quaternion_demo.cpp:359	['QMouseEvent*']	void	[]
test_autodiff_scalar in /src/eigen/unsupported/test/autodiff.cpp:190	[]	void	[]
test_autodiff_vector in /src/eigen/unsupported/test/autodiff.cpp:201	[]	void	[]
check_atan2 in /src/eigen/unsupported/test/autodiff_scalar.cpp:19	[]	void	[]
check_hyperbolic_functions in /src/eigen/unsupported/test/autodiff_scalar.cpp:40	[]	void	[]
Eigen::AngleAxis::Identity in /src/eigen/Eigen/src/Geometry/AngleAxis.h:151	[]	EIGEN_DEVICE_FUNC	[]
Camera::localTranslate in /src/eigen/demos/opengl/camera.cpp:150	['Vector3f']	void	[]
Camera::localRotate in /src/eigen/demos/opengl/camera.cpp:135	['Quaternionf']	void	[]
Camera::zoom in /src/eigen/demos/opengl/camera.cpp:142	['float']	void	[]
MatrixBase ::UnitW in /src/eigen/Eigen/src/Core/CwiseNullaryOp.h:937	[]	typename MatrixBase ::BasisReturnType	[]
Eigen::PartialPivLU::rcond in /src/eigen/Eigen/src/LU/PartialPivLU.h:190	[]	RealScalar	[]
Eigen::FullPivLU::rcond in /src/eigen/Eigen/src/LU/FullPivLU.h:256	[]	RealScalar	[]
Eigen::LLT::rcond in /src/eigen/Eigen/src/Cholesky/LLT.h:152	[]	RealScalar	[]
Eigen::LDLT::rcond in /src/eigen/Eigen/src/Cholesky/LDLT.h:206	[]	RealScalar	[]
Eigen::SkewSymmetricBase::exponential in /src/eigen/Eigen/src/Core/SkewSymmetricMatrix3.h:75	[]	void	[]
Eigen::umeyama in /src/eigen/Eigen/src/Geometry/Umeyama.h:90	['MatrixBase ', 'MatrixBase ']	typename internal::umeyama_transform_matrix_type ::type	[]
Eigen::Transform::Identity in /src/eigen/Eigen/src/Geometry/Transform.h:519	[]	EIGEN_DEVICE_FUNC	[]
BDCSVD ::copyUV in /src/eigen/Eigen/src/SVD/BDCSVD.h:422	['HouseholderU', 'HouseholderV', 'NaiveU', 'NaiveV']	void	[]
RDNumeric::SymmMatrix::getRow in /src/rdkit/Code/Numerics/SymmMatrix.h:107	['unsigned int', 'Vector ']	void	[]
RDNumeric::SymmMatrix::getCol in /src/rdkit/Code/Numerics/SymmMatrix.h:122	['unsigned int', 'Vector ']	void	[]
RDNumeric::SymmMatrix::getData in /src/rdkit/Code/Numerics/SymmMatrix.h:141	[]	TYPE	[]
&operator*=(TYPEscale) in /src/rdkit/Code/Numerics/Matrix.h:197	['TYPE']	Matrix	[]
&operator/=(TYPEscale) in /src/rdkit/Code/Numerics/Matrix.h:207	['TYPE']	Matrix	[]
&operator+=(constSymmMatrix &other) in /src/rdkit/Code/Numerics/SymmMatrix.h:159	['SymmMatrix ']	SymmMatrix	[]
&operator-=(constSymmMatrix &other) in /src/rdkit/Code/Numerics/SymmMatrix.h:170	['SymmMatrix ']	SymmMatrix	[]
&operator*=(constSymmMatrix &B) in /src/rdkit/Code/Numerics/SymmMatrix.h:182	['SymmMatrix ']	SymmMatrix	[]
&transpose(SymmMatrix &transpose)const in /src/rdkit/Code/Numerics/SymmMatrix.h:219	['SymmMatrix ']	SymmMatrix	[]
RDNumeric::Vector::getData in /src/rdkit/Code/Numerics/Vector.h:108	[]	TYPE	[]
&assign(constVector &other) in /src/rdkit/Code/Numerics/Vector.h:117	['Vector ']	Vector	[]
&operator+=(constVector &other) in /src/rdkit/Code/Numerics/Vector.h:126	['Vector ']	Vector	[]
&operator-=(constVector &other) in /src/rdkit/Code/Numerics/Vector.h:138	['Vector ']	Vector	[]
test_cwise_real in /src/eigen/test/matrix_cwise.cpp:53	['MatrixType']	void	[]
test_cwise_complex in /src/eigen/test/matrix_cwise.cpp:216	['MatrixType']	void	[]
eigen2support in /src/eigen/test/eigen2support.cpp:15	['MatrixType']	void	[]
test_pastix_T in /src/eigen/test/pastix_support.cpp:17	[]	void	[]
test_pardiso_T in /src/eigen/test/pardiso_support.cpp:9	[]	void	[]
test_conjugate_gradient_T in /src/eigen/test/conjugate_gradient.cpp:14	[]	void	[]
test_incomplete_cholesky_T in /src/eigen/test/incomplete_cholesky.cpp:15	[]	void	[]
test_minres_T in /src/eigen/unsupported/test/minres.cpp:16	[]	void	[]
test_lscg_T in /src/eigen/test/lscg.cpp:14	[]	void	[]
test_klu_support_T in /src/eigen/test/klu_support.cpp:16	[]	void	[]
test_pastix_T_LU in /src/eigen/test/pastix_support.cpp:42	[]	void	[]
test_bicgstab_T in /src/eigen/test/bicgstab.cpp:14	[]	void	[]
test_metis_T in /src/eigen/test/metis_support.cpp:16	[]	void	[]
test_idrs_T in /src/eigen/unsupported/test/idrs.cpp:15	[]	void	[]
test_bicgstabl_T in /src/eigen/unsupported/test/bicgstabl.cpp:15	[]	void	[]
test_gmres_T in /src/eigen/unsupported/test/gmres.cpp:15	[]	void	[]
test_idrstabl_T in /src/eigen/unsupported/test/idrstabl.cpp:14	[]	void	[]
test_dgmres_T in /src/eigen/unsupported/test/dgmres.cpp:15	[]	void	[]
run_nesting_ops_2 in /src/eigen/test/nesting_ops.cpp:47	['MatrixType']	void	[]
sparse_vector in /src/eigen/test/sparse_vector.cpp:13	['int', 'int']	void	[]
run_nesting_ops_1 in /src/eigen/test/nesting_ops.cpp:31	['MatrixType']	void	[]
triangular_rect in /src/eigen/test/triangular.cpp:187	['MatrixType']	void	[]
bdcsvd_thin_options in /src/eigen/test/bdcsvd.cpp:65	[]	void	[]
jacobisvd_thin_options in /src/eigen/test/jacobisvd.cpp:37	[]	void	[]
bdcsvd_full_options in /src/eigen/test/bdcsvd.cpp:70	[]	void	[]
jacobisvd_full_options in /src/eigen/test/jacobisvd.cpp:47	[]	void	[]
orthomethods_3 in /src/eigen/test/geo_orthomethods.cpp:20	[]	void	[]
testLmder in /src/eigen/unsupported/test/NonLinearOptimization.cpp:175	[]	void	[]
testLmdif in /src/eigen/unsupported/test/NonLinearOptimization.cpp:528	[]	void	[]
Eigen::HouseholderQR ::determinant in /src/eigen/Eigen/src/QR/HouseholderQR.h:321	[]	typename MatrixType::Scalar	[]
Eigen::HouseholderQR ::absDeterminant in /src/eigen/Eigen/src/QR/HouseholderQR.h:330	[]	typename MatrixType::RealScalar	[]
Eigen::HouseholderQR ::logAbsDeterminant in /src/eigen/Eigen/src/QR/HouseholderQR.h:338	[]	typename MatrixType::RealScalar	[]
Eigen::HouseholderQR ::signDeterminant in /src/eigen/Eigen/src/QR/HouseholderQR.h:345	[]	typename MatrixType::Scalar	[]
Eigen::ColPivHouseholderQR ::determinant in /src/eigen/Eigen/src/QR/ColPivHouseholderQR.h:440	[]	typename MatrixType::Scalar	[]
Eigen::ColPivHouseholderQR ::absDeterminant in /src/eigen/Eigen/src/QR/ColPivHouseholderQR.h:449	[]	typename MatrixType::RealScalar	[]
Eigen::ColPivHouseholderQR ::logAbsDeterminant in /src/eigen/Eigen/src/QR/ColPivHouseholderQR.h:457	[]	typename MatrixType::RealScalar	[]
Eigen::ColPivHouseholderQR ::signDeterminant in /src/eigen/Eigen/src/QR/ColPivHouseholderQR.h:464	[]	typename MatrixType::Scalar	[]
Eigen::FullPivHouseholderQR ::determinant in /src/eigen/Eigen/src/QR/FullPivHouseholderQR.h:448	[]	typename MatrixType::Scalar	[]
Eigen::FullPivHouseholderQR ::absDeterminant in /src/eigen/Eigen/src/QR/FullPivHouseholderQR.h:457	[]	typename MatrixType::RealScalar	[]
Eigen::FullPivHouseholderQR ::logAbsDeterminant in /src/eigen/Eigen/src/QR/FullPivHouseholderQR.h:465	[]	typename MatrixType::RealScalar	[]
Eigen::FullPivHouseholderQR ::signDeterminant in /src/eigen/Eigen/src/QR/FullPivHouseholderQR.h:472	[]	typename MatrixType::Scalar	[]
Eigen::HouseholderSequence::evalTo in /src/eigen/Eigen/src/Householder/HouseholderSequence.h:261	['Dest', 'Workspace']	EIGEN_DEVICE_FUNC	[]
internal::extract_kernel in /src/eigen/Eigen/src/Eigenvalues/SelfAdjointEigenSolver.h:607	['MatrixType', 'Ref ', 'Ref ']	EIGEN_DEVICE_FUNC	[]
&GeneralizedEigenSolver ::compute(constMatrixType&A, constMatrixType&B, boolcomputeEigenvectors) in /src/eigen/Eigen/src/Eigenvalues/GeneralizedEigenSolver.h:276	['MatrixType', 'MatrixType', 'bool']	GeneralizedEigenSolver	[]
Eigen::DiagonalBase::coeff in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:73	['Index', 'Index']	EIGEN_DEVICE_FUNC	[]
DiagonalProductReturnType operator*( constDiagonalBase &other)const in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:96	['DiagonalBase ']	EIGEN_DEVICE_FUNC	[]
Eigen::DiagonalBase::inverse in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:105	[]	void	[]
operator*(constScalar&scalar, constDiagonalBase&other) in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:121	['Scalar', 'DiagonalBase']	ScaleDiagonalReturnType	[]
DiagonalSumReturnType operator+( constDiagonalBase &other)const in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:132	['DiagonalBase ']	EIGEN_DEVICE_FUNC	[]
DiagonalDifferenceReturnType operator-( constDiagonalBase &other)const in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:143	['DiagonalBase ']	EIGEN_DEVICE_FUNC	[]
Eigen::DiagonalMatrix::m_diagonal in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:228	[]	EIGEN_DEVICE_FUNC	[]
&operator=(constDiagonalBase &other) in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:241	['DiagonalBase ']	EIGEN_DEVICE_FUNC	[]
&operator=(constDiagonalMatrix&other) in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:250	['DiagonalMatrix']	EIGEN_DEVICE_FUNC	[]
TriangularView::determinant in /src/eigen/Eigen/src/Core/TriangularMatrix.h:274	[]	EIGEN_DEVICE_FUNC	[]
Eigen::SimplicialLLT::determinant in /src/eigen/Eigen/src/SparseCholesky/SimplicialCholesky.h:426	[]	Scalar	[]
Eigen::SimplicialNonHermitianLLT::determinant in /src/eigen/Eigen/src/SparseCholesky/SimplicialCholesky.h:595	[]	Scalar	[]
Eigen::PartialPivLU ::determinant in /src/eigen/Eigen/src/LU/PartialPivLU.h:515	[]	typename PartialPivLU ::Scalar	[]
Eigen::FullPivLU ::determinant in /src/eigen/Eigen/src/LU/FullPivLU.h:559	[]	typename internal::traits ::Scalar	[]
Eigen::LDLT::vectorD in /src/eigen/Eigen/src/Cholesky/LDLT.h:160	[]	Diagonal	[]
Eigen::internal::UpperBidiagonalization::householderU in /src/eigen/Eigen/src/SVD/UpperBidiagonalization.h:71	[]	HouseholderUSequenceType	[]
diagonal_assert in /src/eigen/test/diagonal.cpp:67	['MatrixType']	void	[]
generalized_eigensolver_real in /src/eigen/test/eigensolver_generalized_real.cpp:17	['MatrixType']	void	[]
generalized_eigensolver_assert in /src/eigen/test/eigensolver_generalized_real.cpp:89	[]	void	[]
jacobi in /src/eigen/test/jacobi.cpp:15	[]	void	[]
test_conversion_to in /src/eigen/test/float_conversion.cpp:34	[]	void	[]
Action_hessenberg::calculate in /src/eigen/bench/btl/actions/action_hessenberg.hh:83	[]	void	[]
RDKit::Canon::getChiralBonds in /src/rdkit/Code/GraphMol/new_canon.cpp:479	['ROMol', 'Atom*', 'std::vector ']	void	[]
RDKit::MolStandardize::Reionizer::reionize in /src/rdkit/Code/GraphMol/MolStandardize/Charge.cpp:98	['ROMol']	ROMol	[]
testFragmentOnSomeBonds in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1815	[]	void	[]
testGithubIssue429 in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1877	[]	void	[]
testGithubIssue430 in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1912	[]	void	[]
RDKit::fragmentOnSomeBondsHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:46	['ROMol', 'python::object', 'unsigned int', 'bool', 'python::object', 'python::object', 'bool']	python::tuple	[]
testFragmentOnBRICSBonds in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1662	[]	void	[]
testGithub1734 in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:2020	[]	void	[]
testFragmentOnBonds in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1554	[]	void	[]
testGithubIssue511 in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1947	[]	void	[]
RDKit::fragmentOnBondsHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:122	['ROMol', 'python::object', 'bool', 'python::object', 'python::object', 'python::list']	ROMol	[]
RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::search in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp:53	[]	SearchResults	[]
RDKit::SynthonSpaceSearch::SynthonSet::makeSynthonSearchMols in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp:266	[]	void	[]
RDKit::MolDraw2D_detail::DrawMolMCH::extractHighlights in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMolMCH.cpp:35	['double']	void	[]
RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractHighlights in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp:35	['double']	void	[]
RDKit::MolDraw2D_detail::DrawMol::createDrawObjects in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:125	[]	void	[]
RDKit::MolDraw2D_detail::DrawMol::setTransformation in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:2878	['DrawMol']	void	[]
RDDepict::EmbeddedFrag::matchToTemplate in /src/rdkit/Code/GraphMol/Depictor/EmbeddedFrag.cpp:456	['RDKit::INT_VECT', 'unsigned int']	bool	[]
RDKit::FeatTrees::molToBaseTree in /src/rdkit/Code/GraphMol/Basement/FeatTrees/FeatTree.cpp:25	['ROMol']	FeatTreeGraphSPtr	[]
bug1684 in /src/eigen/test/array_reverse.cpp:168	[]	void	[]
vectorVisitor in /src/eigen/test/visitor.cpp:132	['VectorType']	void	[]
permutationmatrices in /src/eigen/test/permutationmatrices.cpp:16	['MatrixType']	void	[]
check_qtvector_matrix in /src/eigen/test/qtvector.cpp:19	['MatrixType']	void	[]
run_matrix_tests in /src/eigen/test/conservative_resize.cpp:18	[]	void	[]
run_vector_tests in /src/eigen/test/conservative_resize.cpp:58	[]	void	[]
triangular_square in /src/eigen/test/triangular.cpp:40	['MatrixType']	void	[]
bug_159 in /src/eigen/test/selfadjoint.cpp:47	[]	void	[]
upperbidiag in /src/eigen/test/upperbidiagonalization.cpp:14	['MatrixType']	void	[]
test_dense_types in /src/eigen/test/serializer.cpp:170	['T1', 'T2', 'T3']	void	[]
stable_norm in /src/eigen/test/stable_norm.cpp:18	['MatrixType']	void	[]
lu_invertible in /src/eigen/test/lu.cpp:98	[]	void	[]
lu_partial_piv in /src/eigen/test/lu.cpp:142	[]	void	[]
vectorwiseop_array in /src/eigen/test/vectorwiseop.cpp:16	['ArrayType']	void	[]
vectorwiseop_matrix in /src/eigen/test/vectorwiseop.cpp:97	['MatrixType']	void	[]
vectorwiseop_mixedscalar in /src/eigen/test/vectorwiseop.cpp:217	[]	void	[]
fixedsizeVariadicVectorConstruction in /src/eigen/test/initializer_list_construction.cpp:103	[]	void	[]
mixingtypes in /src/eigen/test/mixingtypes.cpp:48	[]	void	[]
bug_817 in /src/eigen/test/product_extra.cpp:211	[]	void	[]
bug_1308 in /src/eigen/test/product_extra.cpp:309	[]	void	[]
bug_1311 in /src/eigen/test/product_small.cpp:227	[]	void	[]
product_small_regressions in /src/eigen/test/product_small.cpp:245	[]	void	[]
product_sweep in /src/eigen/test/product_small.cpp:279	['int', 'int', 'int']	void	[]
mapQuaternion in /src/eigen/test/geo_quaternion.cpp:190	[]	void	[]
check_stdlist_matrix in /src/eigen/test/stdlist.cpp:16	['MatrixType']	void	[]
test_stl_iterators in /src/eigen/test/stl_iterators.cpp:106	[]	void	[]
test_stl_container_detection in /src/eigen/test/stl_iterators.cpp:555	[]	void	[]
selfadjoint in /src/eigen/test/selfadjoint.cpp:17	['MatrixType']	void	[]
signed_integer_type_tests in /src/eigen/test/integer_types.cpp:18	['MatrixType']	void	[]
eigensolver_verify_assert in /src/eigen/test/eigensolver_complex.cpp:140	['MatrixType']	void	[]
product_large_regressions in /src/eigen/test/product_large.cpp:38	[]	void	[]
qr in /src/eigen/test/qr_fullpivoting.cpp:16	[]	void	[]
qr_invertible in /src/eigen/test/qr_fullpivoting.cpp:71	[]	void	[]
compare_bdc_jacobi_instance in /src/eigen/test/bdcsvd.cpp:50	['bool']	void	[]
check_stddeque_matrix in /src/eigen/test/stddeque.cpp:16	['MatrixType']	void	[]
ref_matrix in /src/eigen/test/ref.cpp:34	['MatrixType']	void	[]
ref_vector in /src/eigen/test/ref.cpp:80	['VectorType']	void	[]
ref_vector_fixed_sizes in /src/eigen/test/ref.cpp:150	[]	void	[]
test_sparseqr_scalar in /src/eigen/test/sparseqr.cpp:43	[]	void	[]
cod in /src/eigen/test/qr_colpivoting.cpp:17	[]	void	[]
sparse_solvers in /src/eigen/test/sparse_solvers.cpp:29	['int', 'int']	void	[]
inverse_general_4x4 in /src/eigen/test/prec_inverse_4x4.cpp:26	['int']	void	[]
symm in /src/eigen/test/product_symm.cpp:13	[]	void	[]
sparse_product in /src/eigen/test/sparse_product.cpp:37	[]	void	[]
product_selfadjoint in /src/eigen/test/product_selfadjoint.cpp:13	['MatrixType']	void	[]
inplace in /src/eigen/test/inplace_decomposition.cpp:18	[]	void	[]
transform_associativity in /src/eigen/test/geo_transformations.cpp:517	['RotationType']	void	[]
map_class_vector in /src/eigen/test/mapped_matrix.cpp:15	['VectorType']	void	[]
map_class_matrix in /src/eigen/test/mapped_matrix.cpp:50	['MatrixType']	void	[]
basicStuff in /src/eigen/test/basicstuff.cpp:25	['MatrixType']	void	[]
basicStuffComplex in /src/eigen/test/basicstuff.cpp:164	['MatrixType']	void	[]
parametrizedline in /src/eigen/test/geo_parametrizedline.cpp:17	['LineType']	void	[]
matrixRedux in /src/eigen/test/redux.cpp:18	['MatrixType']	void	[]
vectorRedux in /src/eigen/test/redux.cpp:93	['VectorType']	void	[]
map_static_methods in /src/eigen/test/mapped_matrix.cpp:136	['VectorType']	void	[]
unaryview_stride in /src/eigen/test/unaryview.cpp:13	['VectorType']	void	[]
test_unaryview_solve in /src/eigen/test/unaryview.cpp:51	[]	void	[]
constructors in /src/eigen/test/skew_symmetric_matrix3.cpp:13	[]	void	[]
assignments in /src/eigen/test/skew_symmetric_matrix3.cpp:38	[]	void	[]
plusMinus in /src/eigen/test/skew_symmetric_matrix3.cpp:56	[]	void	[]
multiplyScale in /src/eigen/test/skew_symmetric_matrix3.cpp:87	[]	void	[]
skewSymmetricMultiplication in /src/eigen/test/skew_symmetric_matrix3.cpp:115	['Matrix']	void	[]
traceAndDet in /src/eigen/test/skew_symmetric_matrix3.cpp:125	[]	void	[]
zero_sized_objects in /src/eigen/test/product_extra.cpp:129	['MatrixType']	void	[]
bug_854 in /src/eigen/test/eigensolver_selfadjoint.cpp:194	[]	void	[]
bug_1014 in /src/eigen/test/eigensolver_selfadjoint.cpp:201	[]	void	[]
householder in /src/eigen/test/householder.cpp:14	['MatrixType']	void	[]
jacobisvd_verify_assert in /src/eigen/test/jacobisvd.cpp:59	[]	void	[]
bdcsvd_verify_assert in /src/eigen/test/bdcsvd.cpp:75	[]	void	[]
test_reference in /src/eigen/test/nomalloc.cpp:173	['MatrixType']	void	[]
run_tests in /src/eigen/test/accelerate_support.cpp:143	[]	void	[]
qr_fixedsize in /src/eigen/test/qr_colpivoting.cpp:169	[]	void	[]
cod_fixedsize in /src/eigen/test/qr_colpivoting.cpp:80	[]	void	[]
test_basics in /src/eigen/test/commainitializer.cpp:69	[]	void	[]
cholesky_verify_assert in /src/eigen/test/cholesky.cpp:441	[]	void	[]
Camera::activateGL in /src/eigen/demos/opengl/camera.cpp:197	[]	void	[]
polynomialsolver in /src/eigen/unsupported/test/polynomialsolver.cpp:164	['int']	void	[]
alignedvector3 in /src/eigen/unsupported/test/alignedvector3.cpp:25	[]	void	[]
Eigen::SparseInverse::SparseInverse in /src/eigen/unsupported/Eigen/src/SparseExtra/SparseInverse.h:142	['SparseLU ']	void	[]
Eigen::HybridNonLinearSolver ::hybrj1 in /src/eigen/unsupported/Eigen/src/NonLinearOptimization/HybridNonLinearSolver.h:121	['FVectorType', 'Scalar']	HybridNonLinearSolverSpace::Status	[]
Eigen::HybridNonLinearSolver ::hybrd1 in /src/eigen/unsupported/Eigen/src/NonLinearOptimization/HybridNonLinearSolver.h:326	['FVectorType', 'Scalar']	HybridNonLinearSolverSpace::Status	[]
eigen3_interface::transposed_matrix_matrix_product in /src/eigen/bench/btl/libs/eigen3/eigen3_interface.hh:85	['gene_matrix', 'gene_matrix', 'gene_matrix']	void	[]
eigen3_interface::ata_product in /src/eigen/bench/btl/libs/eigen3/eigen3_interface.hh:90	['gene_matrix', 'gene_matrix']	void	[]
eigen3_interface::atv_product in /src/eigen/bench/btl/libs/eigen3/eigen3_interface.hh:166	['gene_matrix', 'gene_vector', 'gene_vector']	void	[]
eigen2_interface::transposed_matrix_matrix_product in /src/eigen/bench/btl/libs/eigen2/eigen2_interface.hh:105	['gene_matrix', 'gene_matrix', 'gene_matrix', 'int']	void	[]
eigen2_interface::ata_product in /src/eigen/bench/btl/libs/eigen2/eigen2_interface.hh:110	['gene_matrix', 'gene_matrix', 'int']	void	[]
eigen2_interface::aat_product in /src/eigen/bench/btl/libs/eigen2/eigen2_interface.hh:112	['gene_matrix', 'gene_matrix', 'int']	void	[]
eigen2_interface::atv_product in /src/eigen/bench/btl/libs/eigen2/eigen2_interface.hh:118	['gene_matrix', 'gene_vector', 'gene_vector', 'int']	void	[]
Eigen::ColPivHouseholderQR ::_solve_impl_transposed in /src/eigen/Eigen/src/QR/ColPivHouseholderQR.h:610	['RhsType', 'DstType']	void	[]
Eigen::FullPivHouseholderQR ::_solve_impl_transposed in /src/eigen/Eigen/src/QR/FullPivHouseholderQR.h:603	['RhsType', 'DstType']	void	[]
Eigen::internal::ordering_helper_at_plus_a in /src/eigen/Eigen/src/OrderingMethods/Ordering.h:28	['MatrixType', 'MatrixType']	void	[]
Eigen::MetisOrdering::get_symmetrized_graph in /src/eigen/Eigen/src/MetisSupport/MetisSupport.h:31	['MatrixType']	void	[]
&RealQZ ::compute(constMatrixType&A_in,constMatrixType&B_in,boolcomputeQZ) in /src/eigen/Eigen/src/Eigenvalues/RealQZ.h:502	['MatrixType', 'MatrixType', 'bool']	RealQZ	[]
Eigen::LDLT ::_solve_impl in /src/eigen/Eigen/src/Cholesky/LDLT.h:537	['RhsType', 'DstType']	void	[]
lines in /src/eigen/test/geo_hyperplane.cpp:87	[]	void	[]
planes in /src/eigen/test/geo_hyperplane.cpp:126	[]	void	[]
exponentialIdentity in /src/eigen/test/skew_symmetric_matrix3.cpp:144	[]	void	[]
exponentialOrthogonality in /src/eigen/test/skew_symmetric_matrix3.cpp:160	[]	void	[]
exponentialRotation in /src/eigen/test/skew_symmetric_matrix3.cpp:169	[]	void	[]
as_scalar_product in /src/eigen/test/diagonalmatrices.cpp:140	['MatrixType']	void	[]
bug987 in /src/eigen/test/diagonalmatrices.cpp:166	[]	void	[]
Eigen::internal::update in /src/eigen/Eigen/src/Cholesky/LDLT.h:445	['MatrixType', 'TranspositionType', 'Workspace', 'WType']	EIGEN_STRONG_INLINE	[]
&LDLT ::rankUpdate( constMatrixBase &w,consttypenameLDLT ::RealScalarσ) in /src/eigen/Eigen/src/Cholesky/LDLT.h:513	['MatrixBase ', 'typename LDLT ::RealScalar']	LDLT	[]
check_stdvector_matrix in /src/eigen/test/stdvector.cpp:15	['MatrixType']	void	[]
linearStructure in /src/eigen/test/linearstructure.cpp:18	['MatrixType']	void	[]
real_complex in /src/eigen/test/linearstructure.cpp:77	[]	void	[]
linearstructure_overflow in /src/eigen/test/linearstructure.cpp:114	[]	void	[]
test_spqr_scalar in /src/eigen/test/spqr_support.cpp:29	[]	void	[]
special_numbers in /src/eigen/test/special_numbers.cpp:13	[]	void	[]
test_parallelize_gemm in /src/eigen/test/product_threaded.cpp:13	[]	void	[]
array_for_matrix in /src/eigen/test/array_for_matrix.cpp:13	['MatrixType']	void	[]
comparisons in /src/eigen/test/array_cwise.cpp:654	['ArrayType']	void	[]
lpNorm in /src/eigen/test/array_for_matrix.cpp:156	['VectorType']	void	[]
cwise_min_max in /src/eigen/test/array_for_matrix.cpp:177	['MatrixType']	void	[]
nomalloc in /src/eigen/test/nomalloc.cpp:24	['MatrixType']	void	[]
Eigen::setupRandomSvs in /src/eigen/test/random_matrix_helper.h:200	['Index', 'RealScalar']	VectorType	[]
Eigen::setupRangeSvs in /src/eigen/test/random_matrix_helper.h:225	['Index', 'RealScalar', 'RealScalar']	VectorType	[]
dontalign in /src/eigen/test/dontalign.cpp:20	['MatrixType']	void	[]
syrk in /src/eigen/test/product_syrk.cpp:13	['MatrixType']	void	[]
testMatrixType in /src/eigen/unsupported/test/matrix_function.cpp:153	['MatrixType']	void	[]
nullary_internal_logic in /src/eigen/test/nullary.cpp:257	[]	void	[]
hyperplane in /src/eigen/test/geo_hyperplane.cpp:17	['HyperplaneType']	void	[]
corners in /src/eigen/test/corners.cpp:17	['MatrixType']	void	[]
corners_fixedsize in /src/eigen/test/corners.cpp:46	[]	void	[]
transformations_computed_scaling_continuity in /src/eigen/test/geo_transformations.cpp:671	[]	void	[]
data_and_stride in /src/eigen/test/block.cpp:306	['MatrixType']	void	[]
unwind_test in /src/eigen/test/block.cpp:355	[]	void	[]
check_indexed_view in /src/eigen/test/indexed_view.cpp:65	[]	void	[]
check_tutorial_examples in /src/eigen/test/indexed_view.cpp:530	[]	void	[]
alignedboxCastTests in /src/eigen/test/geo_alignedbox.cpp:416	['BoxType']	void	[]
jacobisvd_verify_inputs in /src/eigen/test/jacobisvd.cpp:74	[]	void	[]
svd_check_max_size_matrix in /src/eigen/test/svd_common.h:501	['int', 'int']	void	[]
orthomethods_2 in /src/eigen/test/geo_orthomethods.cpp:77	[]	void	[]
orthomethods in /src/eigen/test/geo_orthomethods.cpp:106	[]	void	[]
array_generic in /src/eigen/test/array_cwise.cpp:476	['ArrayType']	void	[]
min_max in /src/eigen/test/array_cwise.cpp:1042	['ArrayType']	void	[]
replicate in /src/eigen/test/array_replicate.cpp:13	['MatrixType']	void	[]
test3dRotation in /src/eigen/unsupported/test/matrix_power.cpp:54	['T']	void	[]
adolc_forward_jacobian in /src/eigen/unsupported/test/forward_adolc.cpp:86	['Func']	void	[]
sparse_extra in /src/eigen/unsupported/test/sparse_extra.cpp:53	['SparseMatrixType']	void	[]
check_marketio in /src/eigen/unsupported/test/sparse_extra.cpp:126	[]	void	[]
check_marketio_vector in /src/eigen/unsupported/test/sparse_extra.cpp:139	[]	void	[]
check_marketio_dense in /src/eigen/unsupported/test/sparse_extra.cpp:150	[]	void	[]
test_autodiff_jacobian in /src/eigen/unsupported/test/autodiff.cpp:214	[]	void	[]
realRoots_to_monicPolynomial_scalar in /src/eigen/unsupported/test/polynomialutils.cpp:48	[]	void	[]
CauchyBounds_scalar in /src/eigen/unsupported/test/polynomialutils.cpp:83	[]	void	[]
testIntersect1 in /src/eigen/unsupported/test/BVH.cpp:138	[]	void	[]
testMinimize1 in /src/eigen/unsupported/test/BVH.cpp:155	[]	void	[]
testIntersect2 in /src/eigen/unsupported/test/BVH.cpp:174	[]	void	[]
testMinimize2 in /src/eigen/unsupported/test/BVH.cpp:196	[]	void	[]
test_complex2d in /src/eigen/unsupported/test/fft_test_shared.h:205	[]	void	[]
test_nnls_random_problem in /src/eigen/unsupported/test/NNLS.cpp:56	[]	void	[]
test_nnls_handles_zero_rhs in /src/eigen/unsupported/test/NNLS.cpp:104	[]	void	[]
test_nnls_handles_Mx0_matrix in /src/eigen/unsupported/test/NNLS.cpp:127	[]	void	[]
test_nnls_handles_dependent_columns in /src/eigen/unsupported/test/NNLS.cpp:170	[]	void	[]
test_nnls_handles_wide_matrix in /src/eigen/unsupported/test/NNLS.cpp:200	[]	void	[]
test_nnls_with_half_precision in /src/eigen/unsupported/test/NNLS.cpp:305	[]	void	[]
test_nnls_special_case_solves_in_zero_iterations in /src/eigen/unsupported/test/NNLS.cpp:322	[]	void	[]
test_nnls_special_case_solves_in_n_iterations in /src/eigen/unsupported/test/NNLS.cpp:349	[]	void	[]
test_nnls_returns_NoConvergence_when_maxIterations_is_too_low in /src/eigen/unsupported/test/NNLS.cpp:373	[]	void	[]
test_nnls_default_maxIterations_is_twice_column_count in /src/eigen/unsupported/test/NNLS.cpp:394	[]	void	[]
test_nnls_does_not_allocate_during_solve in /src/eigen/unsupported/test/NNLS.cpp:404	[]	void	[]
test_nnls_repeated_calls_to_compute_and_solve in /src/eigen/unsupported/test/NNLS.cpp:417	[]	void	[]
array_special_functions in /src/eigen/unsupported/test/special_functions.cpp:38	[]	void	[]
check_global_interpolation2d in /src/eigen/unsupported/test/splines.cpp:133	[]	void	[]
check_global_interpolation_with_derivatives2d in /src/eigen/unsupported/test/splines.cpp:166	[]	void	[]
bench_svd in /src/eigen/unsupported/bench/bench_svd.cpp:33	[]	void	[]
Eigen::internal::bicgstabl in /src/eigen/unsupported/Eigen/src/IterativeSolvers/BiCGSTABL.h:47	['MatrixType', 'Rhs', 'Dest', 'Preconditioner', 'Index', 'typename Dest::RealScalar', 'Index']	bool	[]
bench_reverse in /src/eigen/bench/bench_reverse.cpp:18	['MatrixType']	void	[]
benchEigenSolver in /src/eigen/bench/benchEigenSolver.cpp:34	['MatrixType']	void	[]
benchLLT in /src/eigen/bench/benchCholesky.cpp:28	['MatrixType']	void	[]
RDNumeric::Vector::normL1 in /src/rdkit/Code/Numerics/Vector.h:182	[]	TYPE	[]
RDKit::Descriptors::createVoxelGrid in /src/rdkit/Code/GraphMol/Descriptors/DCLV.cpp:556	['int', 'std::vector ']	void	[]
test_numtraits in /src/eigen/test/bfloat16_float.cpp:162	[]	void	[]
test_roundtrip in /src/eigen/test/bfloat16_float.cpp:32	[]	void	[]
test_nextafter in /src/eigen/test/bfloat16_float.cpp:356	[]	void	[]
packetmath_test_IEEE_corner_cases in /src/eigen/test/packetmath.cpp:842	['RefFunctorT', 'FunctorT']	void	[]
is_sign_exp_unspecified in /src/eigen/test/packetmath.cpp:1501	['Scalar']	bool	[]
packetmath_complex in /src/eigen/test/packetmath.cpp:1584	[]	void	[]
test_complex_sqrt in /src/eigen/test/sycl_basic.cpp:84	['size_t', 'Input', 'Output']	void	[]
test_numeric_limits in /src/eigen/test/sycl_basic.cpp:329	['Input', 'Output']	void	[]
float_pow_test in /src/eigen/test/array_cwise.cpp:381	[]	void	[]
mixed_pow_test in /src/eigen/test/array_cwise.cpp:386	[]	void	[]
signbit_tests in /src/eigen/test/array_cwise.cpp:464	[]	void	[]
test_minmax_nan_propagation in /src/eigen/unsupported/test/cxx11_tensor_expr.cpp:453	[]	void	[]
test_isinf in /src/eigen/unsupported/test/cxx11_tensor_comparisons.cpp:135	[]	void	[]
test_isfinite in /src/eigen/unsupported/test/cxx11_tensor_comparisons.cpp:159	[]	void	[]
Eigen::internal::pndtri in /src/eigen/unsupported/Eigen/src/SpecialFunctions/SpecialFunctionsPacketMath.h:64	['Packet']	EIGEN_DECLARE_FUNCTION_ALLOWING_MULTIPLE_DEFINITIONS	[]
Eigen::internal::bottom_value in /src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorFunctors.h:173	[]	T	[]
Eigen::infinity in /src/eigen/Eigen/src/Core/NumTraits.h:212	[]	EIGEN_DEVICE_FUNC	[]
operator()(constScalar&x,constScalar&y)const in /src/eigen/Eigen/src/Core/functors/BinaryFunctors.h:319	['Scalar', 'Scalar']	Scalar	[]
custom_complex::sqrt in /src/eigen/test/CustomComplex.h:104	['CustomComplex ']	CustomComplex	[]
Eigen::internal::complex_rsqrt in /src/eigen/Eigen/src/Core/MathFunctionsImpl.h:211	['ComplexT']	EIGEN_DEVICE_FUNC	[]
EIGEN_ALWAYS_INLINEstd::complex exp(conststd::complex &x) in /src/eigen/Eigen/src/Core/MathFunctions.h:1482	['std::complex ']	EIGEN_DEVICE_FUNC	[]
EIGEN_ALWAYS_INLINEstd::complex exp2(conststd::complex &x) in /src/eigen/Eigen/src/Core/MathFunctions.h:1539	['std::complex ']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::pisinf in /src/eigen/Eigen/src/Core/GenericPacketMath.h:1009	['Packet']	EIGEN_DEVICE_FUNC	[]
patanh_float in /src/eigen/Eigen/src/Core/arch/Default/GenericPacketMathFunctions.h:1392	['Packet']	EIGEN_DEFINE_FUNCTION_ALLOWING_MULTIPLE_DEFINITIONS	[]
patanh_double in /src/eigen/Eigen/src/Core/arch/Default/GenericPacketMathFunctions.h:1421	['Packet']	EIGEN_DEFINE_FUNCTION_ALLOWING_MULTIPLE_DEFINITIONS	[]
Eigen::internal::erfc_double_large in /src/eigen/unsupported/Eigen/src/SpecialFunctions/SpecialFunctionsImpl.h:366	['T', 'T']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::pnmsub in /src/eigen/Eigen/src/Core/arch/SSE/Complex.h:496	['Packet1cd', 'Packet1cd', 'Packet1cd']	EIGEN_STRONG_INLINE	[]
Eigen::internal::EIGEN_DECLARE_CONST_FAST_Packet4i in /src/eigen/Eigen/src/Core/arch/ZVector/PacketMath.h:83	[]	void	[]
Eigen::internal::reducePacket in /src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorFunctors.h:263	['Packet', 'Packet*']	EIGEN_DEVICE_FUNC	[]
typenameT::ScalarpblueNorm(constT&v) in /src/eigen/bench/bench_norm.cpp:83	['T']	EIGEN_DONT_INLINE	[]
Eigen::packet_impl in /src/eigen/Eigen/src/Core/ProductEvaluators.h:931	['Index', 'Index', 'Index']	EIGEN_STRONG_INLINE	[]
Eigen::packet_segment_impl in /src/eigen/Eigen/src/Core/ProductEvaluators.h:950	['Index', 'Index', 'Index', 'Index', 'Index']	EIGEN_STRONG_INLINE	[]
Eigen::internal::plog2 in /src/eigen/Eigen/src/Core/GenericPacketMath.h:1125	['Packet']	EIGEN_DECLARE_FUNCTION_ALLOWING_MULTIPLE_DEFINITIONS	[]
&operator*=(constPacket2cf&b) in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:69	['Packet2cf']	EIGEN_STRONG_INLINE	[]
&operator*=(constPacket1cd&b) in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:416	['Packet1cd']	EIGEN_STRONG_INLINE	[]
&operator/=(constPacket1cd&b) in /src/eigen/Eigen/src/Core/arch/MSA/Complex.h:371	['Packet1cd']	EIGEN_STRONG_INLINE	[]
Eigen::internal::Packet4ul in /src/eigen/Eigen/src/Core/arch/AVX/PacketMath.h:725	['Packet4ul', 'Packet4ul']	EIGEN_STRONG_INLINE	[]
Eigen::internal::pldexp_fast in /src/eigen/Eigen/src/Core/arch/SSE/PacketMath.h:1809	['Packet2d', 'Packet2d']	EIGEN_STRONG_INLINE	[]
Eigen::internal::psqrt_float_common in /src/eigen/Eigen/src/Core/arch/NEON/PacketMath.h:4705	['Packet']	EIGEN_STRONG_INLINE	[]
Eigen::internal::pdiv_float_common in /src/eigen/Eigen/src/Core/arch/NEON/PacketMath.h:4729	['Packet', 'Packet']	EIGEN_STRONG_INLINE	[]
Eigen::internal::pcarg in /src/eigen/Eigen/src/Core/GenericPacketMath.h:1572	['Packet']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::all_predux in /src/eigen/Eigen/src/Core/Visitor.h:393	['Packet']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::any_predux in /src/eigen/Eigen/src/Core/Visitor.h:414	['Packet']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::initpacket in /src/eigen/Eigen/src/Core/Visitor.h:444	['Packet']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::prsqrt_float_common in /src/eigen/Eigen/src/Core/arch/NEON/PacketMath.h:4643	['Packet']	Packet	[]
Eigen::internal::pminmax_propagate_numbers in /src/eigen/Eigen/src/Core/arch/SSE/PacketMath.h:1120	['Packet', 'Packet', 'Op']	EIGEN_STRONG_INLINE	[]
Eigen::internal::pminmax_propagate_nan in /src/eigen/Eigen/src/Core/arch/SSE/PacketMath.h:1129	['Packet', 'Packet', 'Op']	EIGEN_STRONG_INLINE	[]
Eigen::internal::ploadt_partial in /src/eigen/Eigen/src/Core/GenericPacketMath.h:1398	['typename unpacket_traits ::type*', 'Index']	EIGEN_DEVICE_FUNC	[]
Eigen::TensorSycl::TensorContractionKernel::compute_tile_per_panel in /src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorContractionSycl.h:825	['cl::sycl::nd_item<1>', 'ThreadProperties ', 'TiledMemory', 'PacketReturnType*', 'bool']	EIGEN_DEVICE_FUNC	[]
Eigen::TensorSycl::TensorContractionKernel::compute_panel in /src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorContractionSycl.h:1067	['cl::sycl::nd_item<1>', 'VectorMapper', 'TensorMapper', 'OutScalar', 'OutPtr', 'EIGEN_SYCL_LOCAL_MEM_UNSET_OR_ON', 'StorageIndex', 'StorageIndex', 'StorageIndex', 'StorageIndex', 'StorageIndex', 'StorageIndex', 'StorageIndex', 'StorageIndex', 'StorageIndex', 'StorageIndex']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::run_segment in /src/eigen/Eigen/src/Core/ProductEvaluators.h:797	['Index', 'Index', 'Lhs', 'Rhs', 'Index', 'Packet', 'Index', 'Index']	void	[]
operator-(void)const in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:432	[]	EIGEN_STRONG_INLINE	[]
operator*(constPacket1cd&b)const in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:420	['Packet1cd']	EIGEN_STRONG_INLINE	[]
operator+(constPacket1cd&b)const in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:426	['Packet1cd']	EIGEN_STRONG_INLINE	[]
operator-(constPacket1cd&b)const in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:431	['Packet1cd']	EIGEN_STRONG_INLINE	[]
operator/(constPacket1cd&b)const in /src/eigen/Eigen/src/Core/arch/MSA/Complex.h:378	['Packet1cd']	EIGEN_STRONG_INLINE	[]
Eigen::internal::Packet2cd in /src/eigen/Eigen/src/Core/arch/AVX/Complex.h:444	['Packet2cd']	EIGEN_STRONG_INLINE	[]
Eigen::internal::Packet4cd in /src/eigen/Eigen/src/Core/arch/AVX512/Complex.h:455	['Packet4cd']	EIGEN_STRONG_INLINE	[]
packetmath in /src/eigen/test/packetmath.cpp:524	[]	void	[]
operator*(constPacket2cf&b)const in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:73	['Packet2cf']	EIGEN_STRONG_INLINE	[]
operator+(constPacket2cf&b)const in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:79	['Packet2cf']	EIGEN_STRONG_INLINE	[]
operator-(constPacket2cf&b)const in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:84	['Packet2cf']	EIGEN_STRONG_INLINE	[]
operator/(constPacket2cf&b)const in /src/eigen/Eigen/src/Core/arch/MSA/Complex.h:71	['Packet2cf']	EIGEN_STRONG_INLINE	[]
&operator/=(constPacket2cf&b) in /src/eigen/Eigen/src/Core/arch/MSA/Complex.h:72	['Packet2cf']	EIGEN_STRONG_INLINE	[]
Eigen::internal::pload2 in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:194	['std::complex ', 'std::complex ']	EIGEN_STRONG_INLINE	[]
Eigen::internal::Packet4cf in /src/eigen/Eigen/src/Core/arch/AVX/Complex.h:454	['Packet4cf']	EIGEN_STRONG_INLINE	[]
Eigen::internal::Packet1cf in /src/eigen/Eigen/src/Core/arch/NEON/Complex.h:493	['Packet1cf']	EIGEN_STRONG_INLINE	[]
Eigen::internal::Packet8cf in /src/eigen/Eigen/src/Core/arch/AVX512/Complex.h:465	['Packet8cf']	EIGEN_STRONG_INLINE	[]
psqrt_complex in /src/eigen/Eigen/src/Core/arch/Default/GenericPacketMathFunctions.h:1545	['Packet']	EIGEN_DEFINE_FUNCTION_ALLOWING_MULTIPLE_DEFINITIONS	[]
generic_pow in /src/eigen/Eigen/src/Core/arch/Default/GenericPacketMathFunctions.h:2179	['Packet', 'Packet']	EIGEN_DEFINE_FUNCTION_ALLOWING_MULTIPLE_DEFINITIONS	[]
unary_pow::handle_nonint_nonint_errors in /src/eigen/Eigen/src/Core/arch/Default/GenericPacketMathFunctions.h:2357	['Packet', 'Packet', 'ScalarExponent']	EIGEN_DEVICE_FUNC	[]
RDNumeric::Vector::largestAbsValId in /src/rdkit/Code/Numerics/Vector.h:207	[]	unsigned int	[]
RDNumeric::Vector::largestValId in /src/rdkit/Code/Numerics/Vector.h:221	[]	unsigned int	[]
RDNumeric::Vector::smallestValId in /src/rdkit/Code/Numerics/Vector.h:235	[]	unsigned int	[]
RDNumeric::Vector::dotProduct in /src/rdkit/Code/Numerics/Vector.h:249	['Vector ']	TYPE	[]
RDNumeric::Matrix::getRow in /src/rdkit/Code/Numerics/Matrix.h:117	['unsigned int', 'Vector ']	void	[]
RDNumeric::Matrix::getCol in /src/rdkit/Code/Numerics/Matrix.h:128	['unsigned int', 'Vector ']	void	[]
RDNumeric::Matrix::getData in /src/rdkit/Code/Numerics/Matrix.h:144	[]	TYPE	[]
&assign(constMatrix &other) in /src/rdkit/Code/Numerics/Matrix.h:150	['Matrix ']	Matrix	[]
&operator+=(constMatrix &other) in /src/rdkit/Code/Numerics/Matrix.h:165	['Matrix ']	Matrix	[]
&operator-=(constMatrix &other) in /src/rdkit/Code/Numerics/Matrix.h:182	['Matrix ']	Matrix	[]
&transpose(Matrix &transpose)const in /src/rdkit/Code/Numerics/Matrix.h:224	['Matrix ']	Matrix	[]
ForceFields::PyForceField::addExtraPoint in /src/rdkit/Code/ForceField/Wrap/PyForceField.h:36	['double', 'double', 'double']	int	[]
RDKit::MolToV2KMolBlockHelper in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:768	['ROMol', 'python::object', 'int']	std::string	[]
RDKit::GetV3000MolFileAtomLine in /src/rdkit/Code/GraphMol/FileParsers/MolFileWriter.cpp:742	['Atom', 'Conformer', 'boost::dynamic_bitset<>', 'unsigned int']	std::string	[]
RDKit::ResonanceMolSupplier::length in /src/rdkit/Code/GraphMol/Resonance.cpp:1763	[]	unsigned int	[]
RDKit::ResonanceMolSupplier::setProgressCallback in /src/rdkit/Code/GraphMol/Resonance.cpp:1224	['ResonanceMolSupplierCallback*']	void	[]
RDKit::ResonanceMolSupplier::next in /src/rdkit/Code/GraphMol/Resonance.cpp:1784	[]	ROMol	[]
RDKit::ResonanceMolSupplier::moveTo in /src/rdkit/Code/GraphMol/Resonance.cpp:1790	['unsigned int']	void	[]
RDKit::ResonanceMolSupplier in /src/rdkit/Code/GraphMol/Resonance.h:86	[]	class RDKIT_GRAPHMOL_EXPORT	[]
testGetMolFrags in /src/rdkit/Code/GraphMol/molopstest.cpp:5496	[]	void	[]
RDKit::RxnMolToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/MoleculeParser.cpp:71	['ROMol']	ChemicalReaction	[]
RDKit::addReactionToPNGStringHelper in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:490	['ChemicalReaction', 'python::object', 'bool', 'bool', 'bool', 'bool']	python::object	[]
RDKit::addReactionToPNGFileHelper in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:504	['ChemicalReaction', 'python::object', 'bool', 'bool', 'bool', 'bool']	python::object	[]
RDKit::addReactionMetadata in /src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp:266	['ChemicalReaction', 'std::vector >']	void	[]
RDKit::ChemicalReactionToCXRxnSmarts in /src/rdkit/Code/GraphMol/ChemReactions/ReactionWriter.cpp:157	['ChemicalReaction', 'SmilesWriteParams', 'std::uint32_t']	std::string	[]
RDKit::ChemicalReactionToCXRxnSmiles in /src/rdkit/Code/GraphMol/ChemReactions/ReactionWriter.cpp:164	['ChemicalReaction', 'SmilesWriteParams', 'std::uint32_t']	std::string	[]
RDKit::v1::RxnSmartsToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:114	['std::string']	ChemicalReaction	[]
operator""_rxnsmarts(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:391	['char*', 'size_t']	std::unique_ptr	[]
RDKit::v1::PNGStringToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:339	['std::string']	ChemicalReaction	[]
RDKit::v1::PNGFileToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:344	['std::string']	ChemicalReaction	[]
RDKit::v1::PNGStreamToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:334	['std::istream']	ChemicalReaction	[]
operator""_rxnsmiles(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:402	['char*', 'size_t']	std::unique_ptr	[]
~Tempfile() in /src/rdkit/External/YAeHMOP/EHTTools.cpp:53	[]	void	[]
RDKit::MolStandardize::LargestFragmentChooser::choose in /src/rdkit/Code/GraphMol/MolStandardize/Fragment.cpp:181	['ROMol']	ROMol	[]
RDKit::MolStandardize::FragmentValidation::validate in /src/rdkit/Code/GraphMol/MolStandardize/Validate.cpp:87	['ROMol', 'bool']	std::vector	[]
RDKit::MolStandardize::Normalizer::normalize in /src/rdkit/Code/GraphMol/MolStandardize/Normalize.cpp:156	['ROMol']	ROMol	[]
RDKit::MolHash::SplitMolecule in /src/rdkit/Code/GraphMol/MolHash/normalize.cpp:53	['RWMol*', 'std::vector ']	void	[]
RDKit::deleteSubstructs in /src/rdkit/Code/GraphMol/ChemTransforms/ChemTransforms.cpp:103	['ROMol', 'ROMol', 'bool', 'bool']	ROMol	[]
maccs_fp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:327	[]	Datum	[]
testMACCS in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2301	[]	void	[]
testGitHubIssue195 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2845	[]	void	[]
test_fingerprints in /src/rdkit/Code/MinimalLib/cffi_test.c:648	[]	void	[]
test_partial_sanitization in /src/rdkit/Code/MinimalLib/cffi_test.c:2151	[]	void	[]
JSMolBase::get_maccs_fp in /src/rdkit/Code/MinimalLib/minilib.cpp:284	[]	std::string	[]
get_maccs_fp_as_uint8array in /src/rdkit/Code/MinimalLib/jswrapper.cpp:335	['JSMolBase']	emscripten::val	[]
RDKit::MolFragmentToCXSmiles in /src/rdkit/Code/GraphMol/SmilesParse/SmilesWrite.cpp:1026	['ROMol', 'SmilesWriteParams', 'std::vector ', 'std::vector ', 'std::vector ', 'std::vector *']	std::string	[]
computeNMMolHash in /src/rdkit/Code/PgSQL/rdkit/adapter.cpp:2124	['CROMol', 'char*']	char	[]
MolHashHelper in /src/rdkit/Code/GraphMol/MolHash/Wrap/rdMolHash.cpp:20	['ROMol', 'MolHash::HashFunction', 'bool', 'unsigned']	std::string	[]
RDMolecule::GetSmiles in /src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDMolImpl.cpp:38	['char**']	NS_IMETHODIMP	[]
RDKit::pickCanonical in /src/rdkit/Code/GraphMol/MolStandardize/Tautomer.h:394	['Iterable']	ROMol	[]
RDKit::MolToText in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupUtils.cpp:140	['ROMol']	std::string	[]
RDKit::addFingerprintToRGroupData in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp:49	['RGroupData*']	void	[]
RDKit::MolToRandomSmilesHelper in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:549	['ROMol', 'unsigned int', 'unsigned int', 'bool', 'bool', 'bool', 'bool']	python::list	[]
fragmentMolHelper in /src/rdkit/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp:20	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'std::string', 'bool']	python::tuple	[]
fragmentMolHelper2 in /src/rdkit/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp:49	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'unsigned int', 'std::string', 'bool']	python::tuple	[]
fragmentMolHelper3 in /src/rdkit/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp:79	['RDKit::ROMol', 'python::object', 'unsigned int', 'unsigned int', 'bool']	python::tuple	[]
testCarboxylicAcids in /src/rdkit/Code/GraphMol/StructChecker/testStructChecker.cpp:801	[]	void	[]
RDKit::Add2DCoordsToMol in /src/rdkit/Code/GraphMol/Depictor/Basement/Depictor.cpp:35	['ROMol', 'bool']	int	[]
testEEM2 in /src/rdkit/Code/GraphMol/Descriptors/testEEM.cpp:109	[]	void	[]
testSeq in /src/rdkit/Code/GraphMol/FileParsers/testSequence.cpp:36	['char*']	void	[]
testHELM in /src/rdkit/Code/GraphMol/FileParsers/testSequence.cpp:45	['char*']	void	[]
RDKit::addMoleculeMetadata in /src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp:240	['ROMol', 'int', 'std::vector >', 'unsigned']	void	[]
testOneAtropisomersCanon in /src/rdkit/Code/GraphMol/SmilesParse/cxsmiles_test.cpp:854	['SmilesTest*']	void	[]
RDKit::canonicalizeStereoGroupsHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:907	['ROMol', 'RDKit::StereoGroupAbsOptions', 'unsigned int']	ROMol	[]
RDKit::addMolToPNGStringHelper in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:608	['ROMol', 'python::object', 'bool', 'bool', 'bool']	python::object	[]
RDKit::addMolToPNGFileHelper in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:596	['ROMol', 'python::object', 'bool', 'bool', 'bool']	python::object	[]
RDKit::GetMolFrags in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:617	['ROMol', 'bool', 'bool']	python::tuple	[]
largestFragmentOnly in /src/rdkit/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp:40	['RDKit::RascalMCES::RascalResult']	void	[]
RDKit::RascalMCES::RascalResult::trimSmallFrags in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:148	['unsigned int']	void	[]
RDKit::RascalMCES::RascalResult::applyMaxFragSep in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:386	[]	void	[]
RDKit::RascalMCES::RascalResult::getLargestFragSize in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:658	[]	unsigned int	[]
RDKit::RascalMCES::RascalResult::getNumFrags in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:616	[]	int	[]
RDKit::rascalClusterWrapper in /src/rdkit/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp:126	['python::object', 'python::object']	python::list	[]
RDKit::findMCESWrapper in /src/rdkit/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp:82	['ROMol', 'ROMol', 'python::object']	python::list	[]
RDKit::SynthonSpaceSearch::SynthonSpaceRascalSearcher::verifyHit in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.cpp:180	['ROMol']	bool	[]
testUFFBuilder1 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:208	[]	void	[]
testUFFBuilder2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:360	[]	void	[]
testSFIssue1653802 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:648	[]	void	[]
mmffValidationSuite in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:211	['int', 'char*[]']	int	[]
testMMFFAllConstraints in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:1403	[]	void	[]
testMMFFTorsionConstraints in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:1608	[]	void	[]
testMMFFCopy in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:1670	[]	void	[]
testMMFFButaneScan in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:1765	[]	void	[]
testAddConformersFromTrajectory in /src/rdkit/Code/GraphMol/Trajectory/trajectoryTest.cpp:309	[]	void	[]
RDKit::MMFFOptimizeMolecule in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:114	['ROMol']	int	[]
RDKit::MMFFGetMoleculeForceField in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:153	['ROMol', 'ForceFields::PyMMFFMolProperties*']	ForceFields::PyForceField	[]
testIssue239 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:440	[]	void	[]
testCalcEnergyPassedCoords in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:471	[]	void	[]
testCalcGrad in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:512	[]	void	[]
testSFIssue2378119 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:696	[]	void	[]
testMMFFBuilder2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:311	[]	void	[]
testMMFFBatch in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:395	[]	void	[]
testIssue242 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:569	[]	void	[]
testGithub308 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:627	[]	void	[]
runblock_mmff in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp:36	['std::vector ']	void	[]
testMMFFMultiThread3 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:994	[]	void	[]
testGithub6728 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:1072	[]	void	[]
RDKit::MMFFConfsHelper in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:52	['ROMol', 'int', 'int', 'std::string', 'double', 'bool']	python::object	[]
testMMFFMultiThread2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:956	[]	void	[]
testMMFFO3AConstraints in /src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp:196	[]	void	[]
testCrippenO3AConstraints in /src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp:244	[]	void	[]
testMMFFBuilder1 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:146	[]	void	[]
RDKit::StructureCheck::StripSmallFragments in /src/rdkit/Code/GraphMol/StructChecker/StripSmallFragments.cpp:39	['RWMol', 'bool']	bool	[]
testValidRingSystemTemplates in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:1781	[]	void	[]
RDDepict::CoordinateTemplates::setRingSystemTemplates in /src/rdkit/Code/GraphMol/Depictor/Templates.cpp:85	['std::string']	void	[]
RDDepict::CoordinateTemplates::addRingSystemTemplates in /src/rdkit/Code/GraphMol/Depictor/Templates.cpp:96	['std::string']	void	[]
RDKit::SynthonSpaceSearch::SynthonSpaceSubstructureSearcher::extraSearchSetup in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp:216	['std::vector >>']	void	[]
RDKit::SynthonSpaceSearch::Synthon::setSearchMol in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/Synthon.cpp:111	['std::unique_ptr ']	void	[]
RDKit::MolEnumerator::LinkNodeOp::initFromMol in /src/rdkit/Code/GraphMol/MolEnumerator/LinkNode.cpp:32	[]	void	[]
testFragmentation in /src/rdkit/Code/GraphMol/FileParsers/file_parsers_catch.cpp:7156	['FragTest']	void	[]
test_get_mol_frags in /src/rdkit/Code/MinimalLib/cffi_test.c:1339	[]	void	[]
JSMolBase::get_frags in /src/rdkit/Code/MinimalLib/minilib.cpp:550	['std::string']	std::pair	[]
testMolFragsWithQuery in /src/rdkit/Code/GraphMol/molopstest.cpp:5191	[]	void	[]
RDKit::splitMolByPDBResidues in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:209	['ROMol', 'python::object', 'bool']	python::dict	[]
RDKit::splitMolByPDBChainId in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:233	['ROMol', 'python::object', 'bool']	python::dict	[]
RunTests in /src/rdkit/Code/GraphMol/FileParsers/test1.cpp:5425	[]	void	[]
testAtomListLineRoundTrip in /src/rdkit/Code/GraphMol/test1.cpp:1207	[]	void	[]
RDKit::RingInfo::numRelevantCycles in /src/rdkit/Code/GraphMol/RingInfo.cpp:276	[]	unsigned int	[]
testGithubIssue8 in /src/rdkit/External/INCHI-API/test.cpp:198	[]	void	[]
testGithubIssue40 in /src/rdkit/External/INCHI-API/test.cpp:234	[]	void	[]
testGithubIssue67 in /src/rdkit/External/INCHI-API/test.cpp:254	[]	void	[]
testGithubIssue68 in /src/rdkit/External/INCHI-API/test.cpp:273	[]	void	[]
testGithubIssue437 in /src/rdkit/External/INCHI-API/test.cpp:336	[]	void	[]
testGithubIssue562 in /src/rdkit/External/INCHI-API/test.cpp:541	[]	void	[]
testGithubIssue1572 in /src/rdkit/External/INCHI-API/test.cpp:585	[]	void	[]
testGithub3645 in /src/rdkit/External/INCHI-API/test.cpp:827	[]	void	[]
testGithub6172 in /src/rdkit/External/INCHI-API/test.cpp:887	[]	void	[]
RDMolecule::GetMW in /src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDMolImpl.cpp:25	['double*']	NS_IMETHODIMP	[]
molcmp in /src/rdkit/Code/PgSQL/rdkit/adapter.cpp:552	['CROMol', 'CROMol']	int	[]
reactioncmp in /src/rdkit/Code/PgSQL/rdkit/adapter.cpp:2005	['CChemicalReaction', 'CChemicalReaction']	int	[]
RDKit::SynthonSpaceSearch::Synthon::readFromDBStream in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/Synthon.cpp:151	['std::istream', 'std::uint32_t']	void	[]
RDKit::StructureCheck::AddMWMF in /src/rdkit/Code/GraphMol/StructChecker/StripSmallFragments.cpp:28	['RWMol', 'bool']	void	[]
RDKit::Descriptors::calcExactMW in /src/rdkit/Code/GraphMol/Descriptors/MolDescriptors.cpp:39	['ROMol', 'bool']	double	[]
mol_formula in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:340	[]	Datum	[]
RDKit::Descriptors::calcMolFormula in /src/rdkit/Code/GraphMol/Descriptors/MolDescriptors.cpp:44	['ROMol', 'bool', 'bool']	std::string	[]
RDKit::Chirality::assignLegacyCIPLabels in /src/rdkit/Code/GraphMol/Chirality.cpp:1961	['ROMol', 'bool']	void	[]
testAssignStereochemistryFrom3D in /src/rdkit/Code/GraphMol/testChirality.cpp:2667	[]	void	[]
RDKit::determineBonds in /src/rdkit/Code/GraphMol/DetermineBonds/DetermineBonds.cpp:495	['RWMol', 'bool', 'int', 'double', 'bool', 'bool', 'bool', 'bool', 'size_t']	void	[]
test9 in /src/rdkit/Code/GraphMol/Substruct/test1.cpp:540	[]	void	[]
testChiralityAndRemoveHs in /src/rdkit/Code/GraphMol/molopstest.cpp:2764	[]	void	[]
testSFIssue1894348 in /src/rdkit/Code/GraphMol/molopstest.cpp:2939	[]	void	[]
testSFNetIssue2951221 in /src/rdkit/Code/GraphMol/molopstest.cpp:3701	[]	void	[]
testGithubIssue717 in /src/rdkit/Code/GraphMol/molopstest.cpp:6457	[]	void	[]
testGithubIssue754 in /src/rdkit/Code/GraphMol/molopstest.cpp:6762	[]	void	[]
testGithubIssue1021 in /src/rdkit/Code/GraphMol/molopstest.cpp:7313	[]	void	[]
testGithub1614 in /src/rdkit/Code/GraphMol/molopstest.cpp:7688	[]	void	[]
testRemoveAndTrackIsotopes in /src/rdkit/Code/GraphMol/molopstest.cpp:8021	[]	void	[]
testMol1 in /src/rdkit/Code/GraphMol/testChirality.cpp:33	[]	void	[]
testRoundTrip in /src/rdkit/Code/GraphMol/testChirality.cpp:121	[]	void	[]
testMol2 in /src/rdkit/Code/GraphMol/testChirality.cpp:268	[]	void	[]
testSmiles1 in /src/rdkit/Code/GraphMol/testChirality.cpp:336	[]	void	[]
testChiralityCleanup in /src/rdkit/Code/GraphMol/testChirality.cpp:727	[]	void	[]
testChiralityFrom3D in /src/rdkit/Code/GraphMol/testChirality.cpp:1100	[]	void	[]
testIssue2705543 in /src/rdkit/Code/GraphMol/testChirality.cpp:1715	[]	void	[]
testIssue2762917 in /src/rdkit/Code/GraphMol/testChirality.cpp:1870	[]	void	[]
testIssue3009911 in /src/rdkit/Code/GraphMol/testChirality.cpp:2007	[]	void	[]
testFindChiralAtoms in /src/rdkit/Code/GraphMol/testChirality.cpp:2168	[]	void	[]
testGithub87 in /src/rdkit/Code/GraphMol/testChirality.cpp:2292	[]	void	[]
testGithub90 in /src/rdkit/Code/GraphMol/testChirality.cpp:2332	[]	void	[]
testGithub553 in /src/rdkit/Code/GraphMol/testChirality.cpp:2395	[]	void	[]
testGithub803 in /src/rdkit/Code/GraphMol/testChirality.cpp:2452	[]	void	[]
testDoubleBondStereoInRings in /src/rdkit/Code/GraphMol/testChirality.cpp:2703	[]	void	[]
testGithub4494 in /src/rdkit/Code/GraphMol/testChirality.cpp:3136	[]	void	[]
testSMILES in /src/rdkit/Code/GraphMol/memtest1.cpp:38	[]	void	[]
testBondDirRemoval in /src/rdkit/Code/GraphMol/testChirality.cpp:1653	[]	void	[]
RDKit::molToSmarts in /src/rdkit/Code/GraphMol/SmilesParse/SmartsWrite.cpp:827	['ROMol', 'SmilesWriteParams', 'std::vector ', 'boost::dynamic_bitset<>*']	std::string	[]
RDKit::v2::MarvinParser::MarvinCMLReader::parseReaction in /src/rdkit/Code/GraphMol/MarvinParse/MarvinParser.cpp:92	['boost::property_tree::ptree', 'boost::property_tree::ptree']	std::unique_ptr	[]
RDKit::EnumerateStereoisomers::StereoisomerEnumerator::next in /src/rdkit/Code/GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.cpp:69	[]	std::unique_ptr	[]
test12DoubleBondStereochem in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:1276	[]	void	[]
test17Issue1920627 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:1712	[]	void	[]
test19Issue2050085 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2113	[]	void	[]
test54RedundantProductMappingNumbersAndRSChirality in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:5094	[]	void	[]
test55RedundantProductMappingNumbersAndEZStereochemistry in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:5376	[]	void	[]
RDKit::MolStandardize::Operations::prepareForValidation in /src/rdkit/Code/GraphMol/MolStandardize/Pipeline.cpp:149	['RWMOL_SPTR', 'PipelineResult']	RWMOL_SPTR	[]
RDKit::MolStandardize::Operations::standardize in /src/rdkit/Code/GraphMol/MolStandardize/Pipeline.cpp:283	['RWMOL_SPTR', 'PipelineResult', 'PipelineOptions']	RWMOL_SPTR	[]
testMetalDisconnectorLigandExpo in /src/rdkit/Code/GraphMol/MolStandardize/test1.cpp:625	[]	void	[]
RDKit::MolStandardize::TautomerEnumerator::enumerate in /src/rdkit/Code/GraphMol/MolStandardize/Tautomer.cpp:247	['ROMol']	TautomerEnumeratorResult	[]
RDKit::MolStandardize::TautomerEnumerator::canonicalize in /src/rdkit/Code/GraphMol/MolStandardize/Tautomer.cpp:567	['ROMol', 'boost::function ']	ROMol	[]
RDKit::MolStandardize::TautomerEnumerator::canonicalizeInPlace in /src/rdkit/Code/GraphMol/MolStandardize/Tautomer.cpp:580	['RWMol', 'boost::function ']	void	[]
atompair_fp in /src/rdkit/Code/PgSQL/rdkit/sfp_op.c:302	[]	Datum	[]
blobToAtomPairFingerprint in /src/rdkit/Code/Demos/sqlite/rdk_funcs.cpp:251	['sqlite3_context', 'int', 'sqlite3_value*']	void	[]
testAtomPairOld in /src/rdkit/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp:163	[]	void	[]
testRootedAtomPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1622	[]	void	[]
testIgnoreAtomPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1654	[]	void	[]
testChiralPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2434	[]	void	[]
testPairsAndTorsionsOptions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2039	[]	void	[]
testGitHubIssue25 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2642	[]	void	[]
testGitHubIssue334 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:3051	[]	void	[]
testAtomPairFPDifference in /src/rdkit/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp:2427	[]	void	[]
testAtomPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1386	[]	void	[]
testAtomPairs2 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1439	[]	void	[]
testGitHubIssue1993 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:3541	[]	void	[]
GetAtomPairFingerprint in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:213	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'python::object', 'bool', 'bool', 'int']	RDKit::SparseIntVect	[]
atompairbv_fp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:291	[]	Datum	[]
GetHashedAtomPairFingerprintAsBitVect in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:312	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'python::object', 'unsigned int', 'bool', 'bool', 'int']	ExplicitBitVect	[]
testHashedAtomPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1463	[]	void	[]
test3DAtomPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2781	[]	void	[]
GetHashedAtomPairFingerprint in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:231	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'python::object', 'bool', 'bool', 'int']	RDKit::SparseIntVect	[]
testTopologicalTorsionFPOld in /src/rdkit/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp:1574	[]	void	[]
testTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1510	[]	void	[]
testBulkTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1604	[]	void	[]
testRootedTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1729	[]	void	[]
testIgnoreTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1761	[]	void	[]
testChiralTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2537	[]	void	[]
testGitHubIssue811 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:3216	[]	void	[]
GetTopologicalTorsionFingerprint in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:250	['RDKit::ROMol', 'unsigned int', 'python::object', 'python::object', 'python::object', 'bool']	RDKit::SparseIntVect	[]
torsion_fp in /src/rdkit/Code/PgSQL/rdkit/sfp_op.c:319	[]	Datum	[]
testHashedTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1555	[]	void	[]
GetHashedTopologicalTorsionFingerprint in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:275	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'python::object', 'bool']	RDKit::SparseIntVect	[]
torsionbv_fp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:309	[]	Datum	[]
GetHashedTopologicalTorsionFingerprintAsBitVect in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:293	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'python::object', 'unsigned int', 'bool']	ExplicitBitVect	[]
RDKit::FingerprintGenerator ::getSparseCountFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp:554	['std::vector ', 'int']	std::vector >>	[]
RDKit::FingerprintGenerator ::getSparseFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp:532	['std::vector ', 'int']	std::vector >	[]
RDKit::FingerprintGenerator ::getCountFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp:543	['std::vector ', 'int']	std::vector >>	[]
RDKit::FingerprintGenerator ::getFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp:521	['std::vector ', 'int']	std::vector >	[]
testStereochem in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:336	[]	void	[]
testIssue153 in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:984	[]	void	[]
testIssue157 in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:1057	[]	void	[]
testBug1844617 in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:1911	[]	void	[]
testBug1844959 in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:2016	[]	void	[]
testGithub608 in /src/rdkit/Code/GraphMol/test1.cpp:1318	[]	void	[]
testGithub6370 in /src/rdkit/Code/GraphMol/test1.cpp:1699	[]	void	[]
RDMIF::HBond::HBond in /src/rdkit/Code/GraphMol/MolInteractionFields/MIFDescriptors.cpp:614	['RDKit::ROMol', 'int', 'std::string', 'bool', 'double']	void	[]
testIssue256 in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:1563	[]	void	[]
fmcs_smiles in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:503	[]	Datum	[]
RDKitImpl::MolFromSmiles in /src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDKitImpl.cpp:25	['char', 'IRDMolecule*']	NS_IMETHODIMP	[]
smilesToBlob in /src/rdkit/Code/Demos/sqlite/rdk_funcs.cpp:146	['sqlite3_context', 'int', 'sqlite3_value*']	void	[]
test10 in /src/rdkit/Code/GraphMol/SLNParse/test.cpp:1188	[]	void	[]
test12 in /src/rdkit/Code/GraphMol/SLNParse/test.cpp:1268	[]	void	[]
testIssue277 in /src/rdkit/Code/GraphMol/SLNParse/test.cpp:1712	[]	void	[]
RDKitSV::RDKitSVMainWindow::RDKitSVMainWindow in /src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/RDKitSVMainWindow.cc:51	['int', 'char**']	void	[]
RDKitSV::RDKitSVMainWindow::slot_read_mols in /src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/RDKitSVMainWindow.cc:484	[]	void	[]
operator""_smiles(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/SmilesParse/SmilesParse.h:237	['char*', 'size_t']	std::unique_ptr	[]
testKappa2 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:1390	[]	void	[]
testKappa3 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:1443	[]	void	[]
RDKit::v2::FileParsers::TDTMolSupplier::next in /src/rdkit/Code/GraphMol/FileParsers/TDTMolSupplier.cpp:263	[]	std::unique_ptr	[]
mol_to_ctab in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:208	[]	Datum	[]
mol_to_v3kctab in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:227	[]	Datum	[]
RDKitDraw::paintEvent in /src/rdkit/Code/Demos/RDKit/Draw/qtDemo/qtdraw_demo.cc:42	['QPaintEvent*']	void	[]
DepictDemo in /src/rdkit/Code/Demos/RDKit/GettingStarted/sample.cpp:191	[]	void	[]
test28RxnDepictor in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2887	[]	void	[]
RDKit::Compute2DCoordsForReaction in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:266	['RDKit::ChemicalReaction']	void	[]
MolGetSVG in /src/rdkit/Code/PgSQL/rdkit/adapter.cpp:855	['CROMol', 'unsigned int', 'unsigned int', 'char', 'char']	char	[]
RDKit::prepareAndDrawMoleculeHelper in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:267	['MolDraw2D', 'ROMol', 'std::string', 'python::object', 'python::object', 'python::object', 'python::object', 'python::object', 'int', 'bool']	void	[]
RDKit::MinimalLib::DrawerFromDetails::draw_mol in /src/rdkit/Code/MinimalLib/common_defs.h:81	['ROMol']	std::string	[]
draw_to_canvas in /src/rdkit/Code/MinimalLib/jswrapper.cpp:83	['JSMolBase', 'emscripten::val', 'int', 'int']	std::string	[]
RDKit::MolDraw2D::drawReaction in /src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2D.cpp:280	['ChemicalReaction', 'bool', 'std::vector ', 'std::vector ']	void	[]
RDKit::MolDraw2D_detail::DrawMol::initDrawMolecule in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:172	['ROMol']	void	[]
test8PrepareMolForDrawing in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1255	[]	void	[]
testGithub852 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1658	[]	void	[]
testGithub860 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1774	[]	void	[]
testGithub910 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1856	[]	void	[]
testGithub932 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1902	[]	void	[]
testGithub953 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1922	[]	void	[]
testGithub983 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1942	[]	void	[]
testCrossedBonds in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2258	[]	void	[]
test10DrawSecondMol in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2278	[]	void	[]
test11DrawMolGrid in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2429	[]	void	[]
test13JSONConfig in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2595	[]	void	[]
testGithub1090 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2660	[]	void	[]
testGithub1035 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2692	[]	void	[]
testGithub1271 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2742	[]	void	[]
testGithub1322 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2874	[]	void	[]
test14BWPalette in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2951	[]	void	[]
test16MoleculeMetadata in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3076	[]	void	[]
testGithub2063 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3485	[]	void	[]
testGithub2151 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3560	[]	void	[]
testGithub2762 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3604	[]	void	[]
testGithub3112 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3845	[]	void	[]
test23JSONAtomColourPalette in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:4584	[]	void	[]
testGithub4496 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:4621	[]	void	[]
RDKit::prepMolForDrawing in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:430	['ROMol*', 'bool', 'bool', 'bool', 'bool', 'bool']	ROMol	[]
test_io in /src/rdkit/Code/MinimalLib/cffi_test.c:198	[]	void	[]
test_modifications in /src/rdkit/Code/MinimalLib/cffi_test.c:762	[]	void	[]
test_coords in /src/rdkit/Code/MinimalLib/cffi_test.c:873	[]	void	[]
test_wedging_all_within_scaffold in /src/rdkit/Code/MinimalLib/cffi_test.c:1545	[]	void	[]
test_wedging_outside_scaffold in /src/rdkit/Code/MinimalLib/cffi_test.c:1685	[]	void	[]
test_wedging_if_no_match in /src/rdkit/Code/MinimalLib/cffi_test.c:1816	[]	void	[]
test_get_molblock_use_molblock_wedging in /src/rdkit/Code/MinimalLib/cffi_test.c:2920	[]	void	[]
test_get_mol_remove_hs in /src/rdkit/Code/MinimalLib/cffi_test.c:3119	[]	void	[]
JSMolBase::get_molblock in /src/rdkit/Code/MinimalLib/minilib.cpp:154	['std::string']	std::string	[]
JSMolBase::get_v3Kmolblock in /src/rdkit/Code/MinimalLib/minilib.cpp:157	['std::string']	std::string	[]
RDKit::molToACS1996SVG in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:710	['ROMol', 'std::string', 'python::object', 'python::object', 'python::object', 'python::object', 'python::object', 'int']	std::string	[]
testGithub781 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1383	[]	void	[]
testGithub774 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1562	[]	void	[]
test9MolLegends in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1638	[]	void	[]
testDeuteriumTritium in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2073	[]	void	[]
testGithub2931 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3636	[]	void	[]
test21FontFile in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:4134	[]	void	[]
test22ExplicitMethyl in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:4174	[]	void	[]
testGithub3305 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:4208	[]	void	[]
RDKit::MolDisplay2DWidget::set_display_mol in /src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/MolDisplay2DWidget.cc:38	['ROMOL_SPTR']	void	[]
testAddHs in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:182	[]	void	[]
testRemoveHsCrash in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:444	[]	void	[]
testIssue2091304 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:456	[]	void	[]
testGitHubIssue910 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:784	[]	void	[]
testGitHubIssue1073 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:817	[]	void	[]
testConstrainedCoords in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:836	[]	void	[]
testGitHubIssue1112 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:873	[]	void	[]
testGitHubIssue1286 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:894	[]	void	[]
testGithub1691 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:965	[]	void	[]
testGithub2027 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:1039	[]	void	[]
RDDepict::GenerateDepictionMatching3DStructure in /src/rdkit/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp:174	['RDKit::ROMol', 'RDKit::ROMol', 'int', 'python::object', 'bool']	void	[]
RDDepict::Compute2DCoords in /src/rdkit/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp:33	['RDKit::ROMol', 'bool', 'bool', 'python::dict']	unsigned int	[]
testCisTrans in /src/rdkit/Code/GraphMol/FileParsers/testMolSupplier.cpp:1014	[]	void	[]
testStereoRound in /src/rdkit/Code/GraphMol/FileParsers/testMolSupplier.cpp:1054	[]	void	[]
RDKit::_MolToMaeCtBlock in /src/rdkit/Code/GraphMol/FileParsers/MaeWriter.cpp:492	['ROMol', 'int', 'STR_VECT']	std::shared_ptr	[]
JSMolBase::set_new_coords in /src/rdkit/Code/MinimalLib/minilib.cpp:392	['bool']	bool	[]
JSMolBase::get_new_coords in /src/rdkit/Code/MinimalLib/minilib.cpp:405	['bool']	std::string	[]
RDDepict::Compute2DCoordsMimicDistmat in /src/rdkit/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp:65	['RDKit::ROMol', 'python::object', 'bool', 'bool', 'double', 'unsigned int', 'unsigned int', 'int', 'bool']	unsigned int	[]
RDKit::Descriptors::numAtomStereoCenters in /src/rdkit/Code/GraphMol/Descriptors/Lipinski.cpp:510	['ROMol']	unsigned int	[]
RDKit::Descriptors::numUnspecifiedAtomStereoCenters in /src/rdkit/Code/GraphMol/Descriptors/Lipinski.cpp:532	['ROMol']	unsigned int	[]
testIssue3525000 in /src/rdkit/Code/GraphMol/FileParsers/testMolWriter.cpp:550	[]	void	[]
RDKit::v2::FileParsers::build_mol in /src/rdkit/Code/GraphMol/FileParsers/MaeMolSupplier.cpp:452	['RWMol', 'mae::Block', 'bool', 'bool']	void	[]
RDKit::ParseV3000RxnBlock in /src/rdkit/Code/GraphMol/ChemReactions/MDLParser.cpp:177	['std::istream', 'unsigned int', 'MolFileParserParams', 'std::unique_ptr ']	void	[]
RDKit::v2::FileParsers::MolFromSCSRBlock in /src/rdkit/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp:1303	['std::string', 'MolFileParserParams', 'MolFromSCSRParams']	std::unique_ptr	[]
RDKit::MolFromSCSRFile in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:200	['std::string', 'bool', 'bool', 'python::object']	RDKit::ROMol	[]
RDKit::MolFromSCSRBlock in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:174	['std::string', 'bool', 'bool', 'python::object']	RDKit::ROMol	[]
RDKit::v2::FileParsers::MolFromSCSRMolConverter::convert in /src/rdkit/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp:770	[]	std::unique_ptr	[]
RDKit::MolStandardize::Operations::parse in /src/rdkit/Code/GraphMol/MolStandardize/Pipeline.cpp:95	['std::string', 'PipelineResult', 'PipelineOptions']	RWMOL_SPTR	[]
testMolFileGithub8265 in /src/rdkit/Code/GraphMol/FileParsers/testMolWriter.cpp:1633	[]	void	[]
RDKit::v1::MolBlockToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:157	['std::string']	RWMol	[]
operator""_ctab(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:492	['char*', 'size_t']	std::unique_ptr	[]
testPBFEdges in /src/rdkit/Code/GraphMol/Descriptors/testPBF.cpp:56	[]	void	[]
RDKit::v2::FileParsers::MultithreadedSDMolSupplier::processMoleculeRecord in /src/rdkit/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.cpp:246	['std::string', 'unsigned int']	RWMol	[]
RDKit::v1::Mol2BlockToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:355	['std::string']	RWMol	[]
operator""_mol2(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:501	['char*', 'size_t']	std::unique_ptr	[]
RDKit::v1::Mol2FileToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:303	['std::string']	RWMol	[]
testIssue114 in /src/rdkit/Code/GraphMol/FileParsers/testMol2ToMol.cpp:312	['std::string']	void	[]
JSMolBase::remove_hs_in_place in /src/rdkit/Code/MinimalLib/minilib.cpp:462	['std::string']	bool	[]
JSMolBase::get_stereo_tags in /src/rdkit/Code/MinimalLib/minilib.cpp:310	[]	std::string	[]
JSMolBase::add_hs_in_place in /src/rdkit/Code/MinimalLib/minilib.cpp:478	[]	bool	[]
testPotentialStereoBonds in /src/rdkit/Code/GraphMol/molopstest.cpp:6492	[]	void	[]
testSetBondStereo in /src/rdkit/Code/GraphMol/molopstest.cpp:6623	[]	void	[]
testIssue188 in /src/rdkit/Code/GraphMol/molopstest.cpp:1639	[]	void	[]
RDKit::AtomElectrons::assignFormalCharge in /src/rdkit/Code/GraphMol/Resonance.cpp:212	[]	void	[]
RDKit::AtomElectrons::initTvNbFcFromAtom in /src/rdkit/Code/GraphMol/Resonance.cpp:322	[]	void	[]
RDKit::AtomElectrons::findAllowedBonds in /src/rdkit/Code/GraphMol/Resonance.cpp:328	['unsigned int']	std::uint8_t	[]
RDKit::AtomElectrons::finalizeAtom in /src/rdkit/Code/GraphMol/Resonance.cpp:450	[]	void	[]
testGithub336 in /src/rdkit/External/AvalonTools/test1.cpp:322	[]	void	[]
mol_in in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:45	[]	Datum	[]
mol_from_smarts in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:157	[]	Datum	[]
mol_from_smiles in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:174	[]	Datum	[]
qmol_from_smiles in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:191	[]	Datum	[]
qmol_in in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:382	[]	Datum	[]
mol_from_ctab in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:112	[]	Datum	[]
qmol_from_ctab in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:135	[]	Datum	[]
is_valid_smiles in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:70	[]	Datum	[]
is_valid_ctab in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:84	[]	Datum	[]
testSFNetIssue2196817 in /src/rdkit/Code/GraphMol/molopstest.cpp:3353	[]	void	[]
testSimpleAromaticity in /src/rdkit/Code/GraphMol/molopstest.cpp:6923	[]	void	[]
testMMFFAromaticity in /src/rdkit/Code/GraphMol/molopstest.cpp:6999	[]	void	[]
testCustomAromaticity in /src/rdkit/Code/GraphMol/molopstest.cpp:7049	[]	void	[]
testGithubIssue1730 in /src/rdkit/Code/GraphMol/molopstest.cpp:7080	[]	void	[]
testGithub1622 in /src/rdkit/Code/GraphMol/molopstest.cpp:7536	[]	void	[]
testGithubIssue3 in /src/rdkit/External/INCHI-API/test.cpp:163	[]	void	[]
mol_murckoscaffold in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:400	[]	Datum	[]
BuildSimpleMolecule in /src/rdkit/Code/Demos/RDKit/GettingStarted/sample.cpp:33	[]	void	[]
CleanupMolecule in /src/rdkit/Code/Demos/RDKit/GettingStarted/sample.cpp:205	[]	void	[]
runMolFile in /src/rdkit/Code/Demos/RDKit/Basement/Minimize/MinimizeCLI.cpp:50	['std::string']	void	[]
runSDFile in /src/rdkit/Code/Demos/RDKit/Basement/Minimize/MinimizeCLI.cpp:63	['std::string']	void	[]
testSFIssue1836576 in /src/rdkit/Code/GraphMol/molopstest.cpp:2732	[]	void	[]
testAromaticityEdges in /src/rdkit/Code/GraphMol/molopstest.cpp:2985	[]	void	[]
testSFNetIssue2313979 in /src/rdkit/Code/GraphMol/molopstest.cpp:3618	[]	void	[]
testSanitizeNonringAromatics in /src/rdkit/Code/GraphMol/molopstest.cpp:3664	[]	void	[]
testSFNetIssue3525076 in /src/rdkit/Code/GraphMol/molopstest.cpp:4141	[]	void	[]
testSFNetIssue249 in /src/rdkit/Code/GraphMol/molopstest.cpp:4677	[]	void	[]
testGithub1605 in /src/rdkit/Code/GraphMol/molopstest.cpp:7515	[]	void	[]
testGithub1703 in /src/rdkit/Code/GraphMol/molopstest.cpp:7659	[]	void	[]
testGithub1810 in /src/rdkit/Code/GraphMol/molopstest.cpp:7896	[]	void	[]
testIsRingFused in /src/rdkit/Code/GraphMol/molopstest.cpp:8590	[]	void	[]
mol_adjust_query_properties in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:435	[]	Datum	[]
testAdjustQueryProperties in /src/rdkit/Code/GraphMol/molopstest.cpp:5768	[]	void	[]
RDKit::Abbreviations::Utils::parseLinkers in /src/rdkit/Code/GraphMol/Abbreviations/Abbreviations.h:95	['std::string']	std::vector	[]
JSMolBase::condense_abbreviations in /src/rdkit/Code/MinimalLib/minilib.cpp:485	['double', 'bool']	std::string	[]
JSMolBase::condense_abbreviations_from_defs in /src/rdkit/Code/MinimalLib/minilib.cpp:497	['std::string', 'double', 'bool']	std::string	[]
mol_to_xqmol in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:475	[]	Datum	[]
RDKit::adjustQueryPropertiesHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:880	['ROMol', 'python::object']	ROMol	[]
testGenericQueries in /src/rdkit/Code/GraphMol/GenericGroups/generic_tests.cpp:836	[]	void	[]
RDDepict::prepareTemplateForRGroups in /src/rdkit/Code/GraphMol/Depictor/DepictUtils.cpp:542	['RDKit::RWMol']	std::unique_ptr	[]
test7a in /src/rdkit/Code/GraphMol/hanoitest.cpp:971	[]	void	[]
RDKit::ResonanceMolSupplier::assignBondsFormalCharges in /src/rdkit/Code/GraphMol/Resonance.cpp:1831	['std::vector ']	ROMol	[]
TestAssignChiralTypesFromMolParity::TestAssignChiralTypesFromMolParity in /src/rdkit/Code/GraphMol/testChirality.cpp:2800	['ROMol']	void	[]
testIssue164 in /src/rdkit/Code/GraphMol/testPickler.cpp:150	[]	void	[]
MolOps::Hybridizations::Hybridizations(constROMol&mol) in /src/rdkit/Code/GraphMol/MolOps.cpp:459	['ROMol']	void	[]
testMisc in /src/rdkit/Code/GraphMol/test1.cpp:431	[]	void	[]
testDegree in /src/rdkit/Code/GraphMol/test1.cpp:513	[]	void	[]
testIssue2381580 in /src/rdkit/Code/GraphMol/test1.cpp:624	[]	void	[]
testIssue2840217 in /src/rdkit/Code/GraphMol/test1.cpp:761	[]	void	[]
testGithub1843 in /src/rdkit/Code/GraphMol/test1.cpp:1592	[]	void	[]
testMol in /src/rdkit/Code/GraphMol/memtest1.cpp:69	[]	void	[]
RDKit::RxnOps::sanitizeRxnAsMols in /src/rdkit/Code/GraphMol/ChemReactions/SanitizeRxn.cpp:415	['ChemicalReaction', 'unsigned int']	void	[]
test4MultipleProducts in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:351	[]	void	[]
test15Issue1882749 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:1484	[]	void	[]
test20BondQueriesInProduct in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2155	[]	void	[]
test21Issue2540021 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2245	[]	void	[]
test22DotsToRemoveBonds in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2319	[]	void	[]
test23Pickling in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2366	[]	void	[]
test41Github233 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:3999	[]	void	[]
test49ParensInProducts2 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:4759	[]	void	[]
testDblBondCrash in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:7317	[]	void	[]
RDKit::removeNonmatchingReagents in /src/rdkit/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp:114	['ChemicalReaction', 'BBS', 'EnumerationParams']	BBS	[]
testChargedAromatics in /src/rdkit/Code/GraphMol/MolStandardize/testCharge.cpp:221	[]	void	[]
RDKit::MolStandardize::Operations::prepareForStandardization in /src/rdkit/Code/GraphMol/MolStandardize/Pipeline.cpp:268	['RWMOL_SPTR', 'PipelineResult']	RWMOL_SPTR	[]
RDKit::MolStandardize::Normalizer::normalizeInPlace in /src/rdkit/Code/GraphMol/MolStandardize/Normalize.cpp:96	['RWMol']	void	[]
testEnumerateTautomerSmiles in /src/rdkit/Code/GraphMol/MolStandardize/test1.cpp:614	[]	void	[]
testMetalDisconnector in /src/rdkit/Code/GraphMol/MolStandardize/test1.cpp:113	[]	void	[]
testMurckoDecomp in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1062	[]	void	[]
RDKit::RCore::extractCoreFromMolMatch in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupCore.cpp:67	['ROMol', 'MatchVectType', 'RGroupDecompositionParameters']	RWMOL_SPTR	[]
testForceTransAmides in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:2270	[]	void	[]
inorganicSanitize in /src/rdkit/Code/GraphMol/SmilesParse/nontetrahedral_tests.cpp:27	['RDKit::RWMol']	void	[]
RDKit::sanitizeMol in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:403	['ROMol', 'boost::uint64_t', 'bool']	MolOps::SanitizeFlags	[]
RDKit::RascalMCES::RascalResult::getMcesMol in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:678	[]	std::shared_ptr	[]
testUFFBatch in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:575	[]	void	[]
testUFFBuilderSpecialCases in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:623	[]	void	[]
RDKit::SanitizeMMFFMol in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:133	['ROMol']	unsigned int	[]
RDKit::ScaffoldNetwork::createScaffoldNetwork in /src/rdkit/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h:140	['T', 'ScaffoldNetworkParams']	ScaffoldNetwork	[]
testGitHubIssue92 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:1655	[]	void	[]
RDKit::SynthonSpaceSearch::SynthonSet::enumerateToStream in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp:192	['std::ostream']	void	[]
RDKit::SynthonSpaceSearch::SynthonSet::buildAddAndSubtractFPs in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp:444	['FingerprintGenerator ', 'unsigned int']	void	[]
RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::buildAndVerifyHit in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp:84	['SynthonSpaceHitSet*', 'std::vector ']	std::unique_ptr	[]
RDKit::SynthonSpaceSearch::buildSampleMolecules in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp:221	['std::vector >>', 'size_t', 'SynthonSet']	std::vector >	[]
testSDMemoryCorruption in /src/rdkit/Code/GraphMol/FileParsers/testMolWriter.cpp:496	[]	void	[]
MolAtropTest::RunTests in /src/rdkit/Code/GraphMol/FileParsers/testAtropisomers.cpp:336	[]	void	[]
RDKit::v1::TPLDataStreamToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:224	['std::istream*', 'unsigned int']	RWMol	[]
RDKit::v1::TPLFileToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:248	['std::string']	RWMol	[]
RDKit::parsePdbBlock in /src/rdkit/Code/GraphMol/FileParsers/PDBParser.cpp:549	['char*', 'bool', 'bool', 'unsigned int', 'bool']	std::unique_ptr	[]
RDKit::DeprotectWrap in /src/rdkit/Code/GraphMol/Deprotect/Wrap/DeprotectWrap.cpp:18	['ROMol', 'python::object']	boost::shared_ptr	[]
RDKit::DeprotectInPlaceWrap in /src/rdkit/Code/GraphMol/Deprotect/Wrap/DeprotectWrap.cpp:29	['ROMol', 'python::object']	bool	[]
RDKit::setAromaticityMol in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:451	['ROMol', 'MolOps::AromaticityModel']	void	[]
JSMolBase::convert_to_aromatic_form in /src/rdkit/Code/MinimalLib/minilib.cpp:364	[]	void	[]
JSMolBase::get_aromatic_form in /src/rdkit/Code/MinimalLib/minilib.cpp:369	[]	std::string	[]
RDKit::markConjAtomBonds in /src/rdkit/Code/GraphMol/ConjugHybrid.cpp:46	['Atom*']	void	[]
RDKit::calculateImplicitValence in /src/rdkit/Code/GraphMol/Atom.cpp:457	['Atom', 'bool', 'bool']	int	[]
&operator<<(std::ostream⌖,constRDKit::Atom&at) in /src/rdkit/Code/GraphMol/Atom.cpp:1004	['std::ostream', 'RDKit::Atom']	std::ostream	[]
RDKit::Atom::getMass in /src/rdkit/Code/GraphMol/Atom.cpp:640	[]	double	[]
RDKit::Atom::hasValenceViolation in /src/rdkit/Code/GraphMol/Atom.cpp:653	[]	bool	[]
RDKit::cleanUpOrganometallicsMol in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:446	['ROMol']	void	[]
RDKit::assignRadicalsMol in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:461	['ROMol']	void	[]
RDKit::kekulizeFused in /src/rdkit/Code/GraphMol/Kekulize.cpp:460	['RWMol', 'VECT_INT_VECT', 'unsigned int']	void	[]
testPeriodicTable in /src/rdkit/Code/GraphMol/test1.cpp:957	[]	void	[]
RDKit::MolOps::molRemoveH in /src/rdkit/Code/GraphMol/AddHs.cpp:696	['RWMol', 'unsigned int', 'bool']	void	[]
disconnectOrganometallicsInPlaceHelper in /src/rdkit/Code/GraphMol/MolStandardize/Wrap/rdMolStandardize.cpp:367	['RDKit::ROMol*', 'python::object']	void	[]
testOrganometallics in /src/rdkit/Code/GraphMol/MolStandardize/test1.cpp:1464	[]	void	[]
disconnectOrganometallicsHelper in /src/rdkit/Code/GraphMol/MolStandardize/Wrap/rdMolStandardize.cpp:356	['RDKit::ROMol', 'python::object']	RDKit::ROMol	[]
RDKit::MolStandardize::IsotopeValidation::validate in /src/rdkit/Code/GraphMol/MolStandardize/Validate.cpp:166	['ROMol', 'bool']	std::vector	[]
RDKit::RGroupDecompositionParameters::addDummyAtomsToUnlabelledCoreAtoms in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.cpp:311	['RWMol']	void	[]
testIssue276 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:674	[]	void	[]
testIssue285 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:736	[]	void	[]
testIssue284 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:689	[]	void	[]
testIssue215 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:392	[]	void	[]
test15Dists in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:470	[]	void	[]
testOrdering in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:562	[]	void	[]
testIssue227 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:581	[]	void	[]
testIssue236 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:606	[]	void	[]
testIssue244 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:631	[]	void	[]
testIssue251 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:661	[]	void	[]
testIssue355 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:769	[]	void	[]
testIssue3238580 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1090	[]	void	[]
testGithub696 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1498	[]	void	[]
testGithub697 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1520	[]	void	[]
testProvideBoundsMatrix in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:2175	[]	void	[]
testHydrogenBondBasics in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:2346	[]	void	[]
RDKit::getMolBoundsMatrix in /src/rdkit/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp:223	['ROMol']	PyObject	[]
RDKit::MolDraw2D_detail::getAtomListText in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:1399	['Atom']	std::string	[]
testWeightedCentroid in /src/rdkit/Code/GraphMol/MolTransforms/test1.cpp:389	[]	void	[]
RDKit::ComputeGasteigerCharges in /src/rdkit/Code/GraphMol/PartialCharges/Wrap/rdPartialCharges.cpp:20	['ROMol', 'int', 'bool']	void	[]
testRDFcustom in /src/rdkit/Code/GraphMol/Descriptors/testRDFcustom.cpp:30	[]	void	[]
testMORSEcustom in /src/rdkit/Code/GraphMol/Descriptors/testRDFcustom.cpp:96	[]	void	[]
testAUTOCORR3Dcustom in /src/rdkit/Code/GraphMol/Descriptors/testRDFcustom.cpp:163	[]	void	[]
testWHIMcustom in /src/rdkit/Code/GraphMol/Descriptors/testRDFcustom.cpp:230	[]	void	[]
testGETAWAYcustom in /src/rdkit/Code/GraphMol/Descriptors/testRDFcustom.cpp:372	[]	void	[]
BCUT in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:439	['RDKit::ROMol']	python::list	[]
BCUT2D_list in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:443	['RDKit::ROMol', 'python::list']	std::pair	[]
getstate in /src/rdkit/Code/Geometry/Wrap/Point.cpp:32	['RDGeom::PointND']	python::tuple	[]
taniNbrHelper in /src/rdkit/Code/DataStructs/Wrap/wrap_FPB.cpp:20	['FPBReader*', 'std::string', 'double']	python::tuple	[]
tverskyNbrHelper in /src/rdkit/Code/DataStructs/Wrap/wrap_FPB.cpp:31	['FPBReader*', 'std::string', 'double', 'double', 'double']	python::tuple	[]
containingNbrHelper in /src/rdkit/Code/DataStructs/Wrap/wrap_FPB.cpp:42	['FPBReader*', 'std::string']	python::tuple	[]
multiTaniNbrHelper in /src/rdkit/Code/DataStructs/Wrap/wrap_FPB.cpp:53	['MultiFPBReader*', 'std::string', 'double', 'unsigned int']	python::tuple	[]
multiTverskyNbrHelper in /src/rdkit/Code/DataStructs/Wrap/wrap_FPB.cpp:66	['MultiFPBReader*', 'std::string', 'double', 'double', 'double', 'unsigned int']	python::tuple	[]
multiContainingNbrHelper in /src/rdkit/Code/DataStructs/Wrap/wrap_FPB.cpp:80	['MultiFPBReader*', 'std::string', 'unsigned int']	python::tuple	[]
RDKit::getSearchOrderHelper in /src/rdkit/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp:423	['SubstructLibraryWrap']	python::tuple	[]
getFingerprintsHelper in /src/rdkit/Code/GraphMol/MolProcessing/Wrap/rdMolProcessing.cpp:21	['std::string', 'python::object', 'GeneralMolSupplier::SupplierOptions']	python::tuple	[]
RDKit::ReactionsFromCDXMLFile in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:343	['char*', 'bool', 'bool']	python::object	[]
RDKit::ReactionsFromCDXMLBlock in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:363	['python::object', 'bool', 'bool']	python::object	[]
RDKit::GetReactingAtoms in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:381	['ChemicalReaction', 'bool']	python::object	[]
RDKit::AddRecursiveQueriesToReaction in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:391	['ChemicalReaction', 'python::dict', 'std::string']	python::object	[]
RDKit::PreprocessReaction in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:429	['ChemicalReaction', 'python::dict', 'std::string']	python::object	[]
RDKit::getFeatureFamilies in /src/rdkit/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeatureFactory.cpp:64	['MolChemicalFeatureFactory']	python::tuple	[]
enumerateHelper in /src/rdkit/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp:266	['MolStandardize::TautomerEnumerator', 'ROMol']	PyTautomerEnumeratorResult	[]
smilesTautomerMapKeysHelper in /src/rdkit/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp:122	['MolStandardize::SmilesTautomerMap']	python::tuple	[]
smilesTautomerMapValuesHelper in /src/rdkit/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp:131	['MolStandardize::SmilesTautomerMap']	python::tuple	[]
smilesTautomerMapItemsHelper in /src/rdkit/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp:140	['MolStandardize::SmilesTautomerMap']	python::tuple	[]
RDKit::FingerprintWrapper::getFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:229	['FingerprintGenerator *', 'python::object', 'int']	python::tuple	[]
RDKit::FingerprintWrapper::getCountFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:239	['FingerprintGenerator *', 'python::object', 'int']	python::tuple	[]
RDKit::FingerprintWrapper::getSparseFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:250	['FingerprintGenerator *', 'python::object', 'int']	python::tuple	[]
RDKit::FingerprintWrapper::getSparseCountFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:261	['FingerprintGenerator *', 'python::object', 'int']	python::tuple	[]
RDKit::FingerprintWrapper::getAtomCountsHelper in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:401	['AdditionalOutput']	python::object	[]
RDKit::FingerprintWrapper::getAtomToBitsHelper in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:411	['AdditionalOutput']	python::object	[]
RDKit::FingerprintWrapper::getBitPathsHelper in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:425	['AdditionalOutput']	python::object	[]
RDKit::FingerprintWrapper::getBitInfoMapHelper in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:443	['AdditionalOutput']	python::object	[]
RDKit::MHFPWrapper::EncodeSmilesBulk in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp:75	['MHFPEncoder*', 'python::list']	python::object	[]
RDKit::MHFPWrapper::EncodeMolsBulk in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp:92	['MHFPEncoder*', 'python::list']	python::object	[]
RDKit::MHFPWrapper::EncodeSECFPSmilesBulk in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp:126	['MHFPEncoder*', 'python::list']	python::object	[]
RDKit::MHFPWrapper::EncodeSECFPMolsBulk in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp:143	['MHFPEncoder*', 'python::list']	python::object	[]
RDKit::RGroupDecompositionHelper::GetMatchingCoreIdx in /src/rdkit/Code/GraphMol/RGroupDecomposition/Wrap/rdRGroupComposition.cpp:83	['ROMol', 'python::object']	int	[]
getFailureCounts in /src/rdkit/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp:47	[]	python::tuple	[]
RDKit::getExpTorsHelperWithParams in /src/rdkit/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp:297	['RDKit::ROMol', 'DGeomHelpers::EmbedParameters']	python::tuple	[]
RDKit::getMolSizeHelper in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:202	['MolDraw2D', 'ROMol', 'python::object', 'python::object', 'python::object', 'python::object', 'python::object', 'int', 'std::string']	python::tuple	[]
RDKit::getBgColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:448	['RDKit::MolDrawOptions']	python::object	[]
RDKit::getQyColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:451	['RDKit::MolDrawOptions']	python::object	[]
RDKit::getHighlightColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:454	['RDKit::MolDrawOptions']	python::object	[]
RDKit::getSymbolColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:466	['RDKit::MolDrawOptions']	python::object	[]
RDKit::getLegendColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:472	['RDKit::MolDrawOptions']	python::object	[]
RDKit::getAnnotationColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:478	['RDKit::MolDrawOptions']	python::object	[]
RDKit::getAtomNoteColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:487	['RDKit::MolDrawOptions']	python::object	[]
RDKit::getBondNoteColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:493	['RDKit::MolDrawOptions']	python::object	[]
RDKit::getVariableAttachmentColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:496	['RDKit::MolDrawOptions']	python::object	[]
getAtomIndicesHelper in /src/rdkit/Code/GraphMol/Wrap/rdchem.cpp:51	['KekulizeException']	python::tuple	[]
getCStatesHelper in /src/rdkit/Code/GraphMol/Wrap/SubstanceGroup.cpp:79	['SubstanceGroup']	python::tuple	[]
getBracketsHelper in /src/rdkit/Code/GraphMol/Wrap/SubstanceGroup.cpp:87	['SubstanceGroup']	python::tuple	[]
getAttachPointsHelper in /src/rdkit/Code/GraphMol/Wrap/SubstanceGroup.cpp:95	['SubstanceGroup']	python::tuple	[]
RDKit::AtomGetNeighbors in /src/rdkit/Code/GraphMol/Wrap/Atom.cpp:63	['Atom*']	python::tuple	[]
RDKit::AtomGetBonds in /src/rdkit/Code/GraphMol/Wrap/Atom.cpp:71	['Atom*']	python::tuple	[]
RDKit::MolsFromPNGFile in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:661	['std::string', 'std::string', 'python::object']	python::object	[]
RDKit::MolsFromPNGString in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:687	['python::object', 'std::string', 'python::object']	python::tuple	[]
RDKit::MolsFromCDXMLFile in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:703	['std::string', 'bool', 'bool']	python::object	[]
RDKit::MolsFromCDXML in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:724	['python::object', 'bool', 'bool']	python::tuple	[]
RDKit::findAllSubgraphsOfLengthsMtoNHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:812	['ROMol', 'unsigned int', 'unsigned int']	python::object	[]
RDKit::detectChemistryProblemsHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:897	['ROMol', 'unsigned int']	python::tuple	[]
RDKit::hasQueryHsHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:1019	['ROMol']	python::tuple	[]
RDKit::findMesoHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:1088	['ROMol', 'bool', 'bool']	python::object	[]
atomRings in /src/rdkit/Code/GraphMol/Wrap/RingInfo.cpp:22	['RingInfo*']	python::object	[]
RDKit::RingBondCountVect::setMCSBondBitsPass2 in /src/rdkit/Code/GraphMol/FMCS/FMCS.cpp:540	[]	void	[]
RDKit::RingBondCountVect::isRingFusionHonored in /src/rdkit/Code/GraphMol/FMCS/FMCS.cpp:572	[]	bool	[]
atomMembers in /src/rdkit/Code/GraphMol/Wrap/RingInfo.cpp:36	['RingInfo*', 'unsigned int']	python::object	[]
RDKit::RingBondCountVect::setMCSBondBitsPass1 in /src/rdkit/Code/GraphMol/FMCS/FMCS.cpp:517	['unsigned int', 'unsigned int', 'std::uint32_t[]', 'FMCS::Graph']	void	[]
atomRingSizes in /src/rdkit/Code/GraphMol/Wrap/RingInfo.cpp:42	['RingInfo*', 'unsigned int']	python::object	[]
bondRingSizes in /src/rdkit/Code/GraphMol/Wrap/RingInfo.cpp:45	['RingInfo*', 'unsigned int']	python::object	[]
atomRingFamilies in /src/rdkit/Code/GraphMol/Wrap/RingInfo.cpp:50	['RingInfo*']	python::object	[]
bondRingFamilies in /src/rdkit/Code/GraphMol/Wrap/RingInfo.cpp:57	['RingInfo*']	python::object	[]
RDKit::getAtomsHelper in /src/rdkit/Code/GraphMol/Wrap/StereoGroup.cpp:47	['StereoGroup']	python::object	[]
RDKit::getBondsHelper in /src/rdkit/Code/GraphMol/Wrap/StereoGroup.cpp:54	['StereoGroup']	python::object	[]
JSONToMols in /src/rdkit/Code/GraphMol/MolInterchange/Wrap/rdMolInterchange.cpp:19	['std::string', 'python::object']	python::tuple	[]
RDKit::GetAllConformerBestRMS in /src/rdkit/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:199	['ROMol', 'int', 'python::object', 'int', 'bool']	python::tuple	[]
RDKit::MolAlign::getMMFFO3AForConfs in /src/rdkit/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:347	['ROMol', 'ROMol', 'int', 'python::object', 'python::object']	python::tuple	[]
RDKit::MolAlign::getCrippenO3AForConfs in /src/rdkit/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:500	['ROMol', 'ROMol', 'int', 'python::list', 'python::list']	python::tuple	[]
calcCoulombMat in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:125	['RDKit::ROMol', 'int']	python::tuple	[]
GetMorganFingerprint in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:484	['RDKit::ROMol', 'unsigned int', 'python::object', 'python::object', 'bool', 'bool', 'bool', 'bool', 'python::object', 'bool']	RDKit::SparseIntVect	[]
GetHashedMorganFingerprint in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:493	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'bool', 'bool', 'bool', 'python::object', 'bool']	RDKit::SparseIntVect	[]
GetMorganFingerprintBV in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:503	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'bool', 'bool', 'bool', 'python::object', 'bool']	ExplicitBitVect	[]
RDGeom::getGridIndicesWrap in /src/rdkit/Code/Geometry/Wrap/UniformGrid3D.cpp:66	['UniformGrid3D', 'unsigned int']	python::tuple	[]
RDGeom::findGridTerminalPointsWrap in /src/rdkit/Code/Geometry/Wrap/UniformGrid3D.cpp:75	['UniformGrid3D', 'double', 'double']	python::tuple	[]
MolData3Ddescriptors::GetCharges in /src/rdkit/Code/GraphMol/Descriptors/MolData3Ddescriptors.cpp:102	['RDKit::ROMol']	std::vector	[]
RDKit::AtomGetSmarts in /src/rdkit/Code/GraphMol/Wrap/Atom.cpp:93	['Atom*', 'bool', 'bool', 'bool']	std::string	[]
GetTable in /src/rdkit/Code/GraphMol/Wrap/Table.cpp:22	[]	PeriodicTable	[]
RDKit::UFFHasAllMoleculeParams in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:107	['ROMol']	bool	[]
RDMolecule::Generate3DCoords in /src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDMolImpl.cpp:101	[]	NS_IMETHODIMP	[]
testUFFAllConstraints in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:1293	[]	void	[]
testUFFCopy in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:1463	[]	void	[]
testUFFButaneScan in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:1551	[]	void	[]
testTemp in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:430	[]	void	[]
testMultipleConfs in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:511	[]	void	[]
testMultipleConfsExpTors in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:536	[]	void	[]
testMultiThreadMultiConf in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1367	[]	void	[]
RDKit::UFFGetMoleculeForceField in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:97	['ROMol']	ForceFields::PyForceField	[]
RDKit::UFFConfsHelper in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:36	['ROMol', 'int', 'int', 'double', 'bool']	python::object	[]
testUFFMultiThread2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1173	[]	void	[]
testMissingParams in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:919	[]	void	[]
testSFIssue3009337 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:957	[]	void	[]
testGitHubIssue62 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:999	[]	void	[]
runblock_uff in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1081	['std::vector ', 'std::vector ', 'unsigned int', 'unsigned int']	void	[]
testUFFMultiThread in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1112	[]	void	[]
testUFFMultiThread3 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1211	[]	void	[]
testSquarePlanar in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1286	[]	void	[]
testOctahedral in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1332	[]	void	[]
testIssue241 in /src/rdkit/Code/GraphMol/MolAlign/testMolAlign.cpp:247	[]	void	[]
testUFFTyper2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:138	[]	void	[]
testGitHubIssue613 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1259	[]	void	[]
ForceFields::getUFFBondStretchParams in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:182	['RDKit::ROMol', 'unsigned int', 'unsigned int']	PyObject	[]
testUFFParamGetters in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1038	[]	void	[]
ForceFields::getUFFAngleBendParams in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:196	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'unsigned int']	PyObject	[]
ForceFields::getUFFTorsionParams in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:211	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'unsigned int', 'unsigned int']	PyObject	[]
ForceFields::getUFFVdWParams in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:237	['RDKit::ROMol', 'unsigned int', 'unsigned int']	PyObject	[]
testUFFTyper1 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:32	[]	void	[]
testGitHubIssue694 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:1839	[]	void	[]
testGitHubIssue463 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:1675	[]	void	[]
RDKit::Descriptors::calcChi2v in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:228	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi3v in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:231	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi4v in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:234	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi0v in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:209	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi1v in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:214	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi2n in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:257	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi3n in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:260	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi4n in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:263	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi0n in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:238	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi1n in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:243	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcPhi in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:349	['ROMol']	double	[]
RDKit::Descriptors::calcLabuteASA in /src/rdkit/Code/GraphMol/Descriptors/MolSurf.cpp:89	['ROMol', 'bool', 'bool']	double	[]
CalcSlogPVSA in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:776	['RDKit::ROMol', 'python::object', 'bool']	python::list	[]
CalcSMRVSA in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:797	['RDKit::ROMol', 'python::object', 'bool']	python::list	[]
CalcPEOEVSA in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:818	['RDKit::ROMol', 'python::object', 'bool']	python::list	[]
CalcCustomPropVSA in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:839	['RDKit::ROMol', 'std::string', 'python::object', 'bool']	python::list	[]
computeASAContribs in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:48	['RDKit::ROMol']	python::tuple	[]
test1Encode in /src/rdkit/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp:25	[]	void	[]
test2Compare in /src/rdkit/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp:39	[]	void	[]
RDKit::tverskyMolShapes in /src/rdkit/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp:124	['ROMol', 'ROMol', 'double', 'double']	double	[]
testGithub4364 in /src/rdkit/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp:86	[]	void	[]
RDKit::tanimotoMolShapes in /src/rdkit/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp:136	['ROMol', 'ROMol']	double	[]
RDKit::protrudeMolShapes in /src/rdkit/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp:146	['ROMol', 'ROMol']	double	[]
RDKit::EncodeMolShape in /src/rdkit/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp:106	['ROMol', 'RDGeom::UniformGrid3D']	void	[]
RDKit::getAtomicCharge in /src/rdkit/Code/GraphMol/DetermineBonds/DetermineBonds.cpp:235	['int', 'unsigned int']	int	[]
RDKit::ParseXYZFileAtomLine in /src/rdkit/Code/GraphMol/FileParsers/XYZFileParser.cpp:42	['std::string', 'RDGeom::Point3D', 'unsigned int']	Atom	[]
RDKit::guessFormalCharges in /src/rdkit/Code/GraphMol/FileParsers/Mol2FileParser.cpp:139	['RWMol*']	void	[]
RDKit::ParseMol2AtomBlock in /src/rdkit/Code/GraphMol/FileParsers/Mol2FileParser.cpp:723	['std::istream', 'RWMol', 'unsigned int', 'INT_VECT']	void	[]
RDKit::ParseMolBlockAtoms in /src/rdkit/Code/GraphMol/FileParsers/MolFileParser.cpp:1818	['std::istream', 'unsigned int', 'unsigned int', 'RWMol', 'Conformer*', 'bool']	void	[]
RDKit::ParseV3000AtomBlock in /src/rdkit/Code/GraphMol/FileParsers/MolFileParser.cpp:2519	['std::istream', 'unsigned int', 'unsigned int', 'RWMol', 'Conformer*', 'bool', 'bool']	void	[]
testHasValenceViolation in /src/rdkit/Code/GraphMol/test1.cpp:1605	[]	void	[]
RDMolecule::GetSmartsMatchCount in /src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDMolImpl.cpp:47	['char', 'PRUint32']	NS_IMETHODIMP	[]
molHasSubstruct in /src/rdkit/Code/Demos/sqlite/rdk_funcs.cpp:166	['sqlite3_context', 'int', 'sqlite3_value*']	void	[]
molSubstructCount in /src/rdkit/Code/Demos/sqlite/rdk_funcs.cpp:200	['sqlite3_context', 'int', 'sqlite3_value*']	void	[]
RDKit::MorganFingerprints::ss_matcher::ss_matcher in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintUtil.cpp:196	['std::string']	void	[]
RDKitSV::RDKitSVMainWindow::slot_match_smarts in /src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/RDKitSVMainWindow.cc:517	[]	void	[]
RDKit::ss_matcher::ss_matcher in /src/rdkit/Code/GraphMol/Descriptors/USRDescriptor.cpp:136	['std::string']	void	[]
operator""_smarts(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/SmilesParse/SmilesParse.h:246	['char*', 'size_t']	std::unique_ptr	[]
check_smarts_ok in /src/rdkit/Code/GraphMol/RascalMCES/LONG_TEST_mces_catch.cpp:31	['RDKit::ROMol', 'RDKit::ROMol', 'RascalResult']	void	[]
RDKit::MarvinCMLWriter::GetMarvinAtomInfo in /src/rdkit/Code/GraphMol/MarvinParse/MarvinWriter.cpp:78	['Atom', 'MarvinAtom']	void	[]
MrvTests::RunTests in /src/rdkit/Code/GraphMol/MarvinParse/testMrvToMol.cpp:870	[]	void	[]
RDKit::MarvinMultipleSgroup::processSpecialSgroups in /src/rdkit/Code/GraphMol/MarvinParse/MarvinDefs.cpp:3347	[]	void	[]
RDKit::MarvinSuperatomSgroup::processSpecialSgroups in /src/rdkit/Code/GraphMol/MarvinParse/MarvinDefs.cpp:3340	[]	void	[]
RDKit::MarvinSuperatomSgroupExpanded::convertToOneSuperAtom in /src/rdkit/Code/GraphMol/MarvinParse/MarvinDefs.cpp:3351	[]	MarvinMolBase	[]
RDKit::MarvinMultipleSgroup::contractOneMultipleSgroup in /src/rdkit/Code/GraphMol/MarvinParse/MarvinDefs.cpp:3627	[]	void	[]
RDKit::eraseUniquePtr in /src/rdkit/Code/GraphMol/MarvinParse/MarvinDefs.h:227	['std::vector >', 'T*']	void	[]
RDKit::addPatternsHelper in /src/rdkit/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp:448	['SubstructLibraryWrap', 'int']	void	[]
RDKit::SubstructLibrary::addMol in /src/rdkit/Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp:158	['ROMol']	unsigned int	[]
RDKit::molbundleGetMatches in /src/rdkit/Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp:440	['MolBundle', 'MolHolderBase', 'FPHolderBase', 'unsigned int', 'unsigned int', 'SubstructMatchParameters', 'int', 'int', 'std::vector ', 'std::vector ']	int	[]
RDKit::RunFilterCatalogWrapper in /src/rdkit/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp:308	['FilterCatalog', 'std::vector ', 'int']	std::vector >>	[]
test_basic_functions in /src/eigen/test/bfloat16_float.cpp:253	[]	void	[]
Eigen::internal::main_igamma_term in /src/eigen/unsupported/Eigen/src/SpecialFunctions/SpecialFunctionsImpl.h:809	['Scalar', 'Scalar']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::incbsa in /src/eigen/unsupported/Eigen/src/SpecialFunctions/SpecialFunctionsImpl.h:1770	['float', 'float', 'float']	float	[]
Eigen::internal::RandomToTypeNormal in /src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorRandom.h:207	['uint64_t*', 'uint64_t']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::complex_log in /src/eigen/Eigen/src/Core/MathFunctionsImpl.h:250	['ComplexT']	EIGEN_DEVICE_FUNC	[]
RDKit::SmartsMatcher::getMatches in /src/rdkit/Code/GraphMol/FilterCatalog/FilterMatchers.cpp:86	['ROMol', 'std::vector ']	bool	[]
RDKit::SmartsMatcher::hasMatch in /src/rdkit/Code/GraphMol/FilterCatalog/FilterMatchers.cpp:115	['ROMol']	bool	[]
RDKit::FilterCatalog::getEntryWithIdx in /src/rdkit/Code/GraphMol/FilterCatalog/FilterCatalog.cpp:156	['unsigned int']	FilterCatalog::entryType_t	[]
RDKit::ChemicalReaction::initReactantMatchers in /src/rdkit/Code/GraphMol/ChemReactions/Reaction.cpp:72	['bool']	void	[]
RDKit::run_Reactants in /src/rdkit/Code/GraphMol/ChemReactions/ReactionRunner.cpp:1604	['ChemicalReaction', 'MOL_SPTR_VECT', 'unsigned int']	std::vector	[]
RDKit::run_Reactant in /src/rdkit/Code/GraphMol/ChemReactions/ReactionRunner.cpp:1910	['ChemicalReaction', 'ROMOL_SPTR', 'unsigned int']	std::vector	[]
RDKit::RxnOps::adjustTemplates in /src/rdkit/Code/GraphMol/ChemReactions/SanitizeRxn.cpp:369	['MOL_SPTR_VECT', 'MolOps::AdjustQueryParameters']	void	[]
test24AtomFlags in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2487	[]	void	[]
test65SanitizeUnmappedHs in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:6114	[]	void	[]
test66SanitizeMappedHs in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:6218	[]	void	[]
test67SanitizeMappedHsInReactantAndProd in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:6326	[]	void	[]
test68MappedHToHeavy in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:6454	[]	void	[]
testGithub1868 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:6929	[]	void	[]
RDKit::removeMappingNumbersFromReactions in /src/rdkit/Code/GraphMol/ChemReactions/ReactionUtils.cpp:354	['ChemicalReaction']	void	[]
RDKit::EnumerateLibraryBase::getState in /src/rdkit/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp:70	[]	std::string	[]
RDKit::EnumerateLibraryBase::resetState in /src/rdkit/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp:81	[]	void	[]
RDKit::EnumerateLibraryBase::nextSmiles in /src/rdkit/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp:86	[]	std::vector >	[]
testInsaneEnumerations in /src/rdkit/Code/GraphMol/ChemReactions/Enumerate/testEnumerate.cpp:278	[]	void	[]
RDKit::MolChemicalFeatureDef in /src/rdkit/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h:25	[]	class RDKIT_MOLCHEMICALFEATURES_EXPORT	[]
RDKit::MolStandardize::MetalDisconnector::getMetalNof in /src/rdkit/Code/GraphMol/MolStandardize/Metal.cpp:65	[]	ROMol	[]
RDKit::MolStandardize::MetalDisconnector::getMetalNon in /src/rdkit/Code/GraphMol/MolStandardize/Metal.cpp:67	[]	ROMol	[]
RDKit::getCallback in /src/rdkit/Code/GraphMol/MolStandardize/Tautomer.h:353	[]	TautomerEnumeratorCallback	[]
RDKit::MolStandardize::TransformCatalogParams::getTransformation in /src/rdkit/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.cpp:61	['unsigned int']	ChemicalReaction	[]
RDKit::MolStandardize::FragmentCatalogParams::getFuncGroup in /src/rdkit/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.cpp:59	['unsigned int']	ROMol	[]
RDKit::CIPLabeler::Rules::getSorter in /src/rdkit/Code/GraphMol/CIPLabeler/rules/Rules.h:48	[]	Sort	[]
RDKit::CIPLabeler::SequenceRule::getSorter in /src/rdkit/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp:44	[]	Sort	[]
testReplaceCoreMatchVectMultipleMappingToCore in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:953	[]	void	[]
RDKit::replaceSubstructures in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:322	['ROMol', 'ROMol', 'ROMol']	PyObject	[]
RDKit::CDXMLToChemicalReactions in /src/rdkit/Code/GraphMol/ChemReactions/CDXMLParser.cpp:124	['std::string', 'bool', 'bool']	std::vector >	[]
RDKit::MorganFingerprints::ss_matcher::getMatcher in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintUtil.cpp:193	[]	RDKit::ROMol	[]
RDKit::AdditionalOutput in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintGenerator.h:26	[]	struct RDKIT_FINGERPRINTS_EXPORT	[]
RDKit::detail::getAtomNumbers in /src/rdkit/Code/GraphMol/Fingerprints/PatternFingerprints.cpp:83	['Atom*', 'std::vector ']	void	[]
testSymmetryMatching in /src/rdkit/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp:113	[]	void	[]
testGaSymmetryMatching in /src/rdkit/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp:144	['RGroupScore']	void	[]
testGaBatch in /src/rdkit/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp:176	[]	void	[]
testRGroupOnlyMatching in /src/rdkit/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp:226	[]	void	[]
testGithub1550 in /src/rdkit/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp:428	[]	void	[]
testRowColumnAlignmentProblem in /src/rdkit/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp:1011	[]	void	[]
RDKit::RGroupGa::runBatch in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupGa.cpp:311	[]	vector	[]
RDKit::RCore::matchTerminalUserRGroups in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupCore.cpp:433	['RWMol', 'MatchVectType', 'SubstructMatchParameters']	std::vector	[]
RDKit::DGeomHelpers::detail::embedHelper_ in /src/rdkit/Code/GraphMol/DistGeomHelpers/Embedder.cpp:1356	['int', 'int', 'EmbedArgs', 'EmbedParameters', 'TimePoint*']	void	[]
setCoordMap in /src/rdkit/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp:35	['python::dict']	void	[]
RDKit::MolDraw2DCairo::initDrawing in /src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp:32	[]	void	[]
RDKit::MolDraw2D_detail::DrawMol::shrinkToFit in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:1369	['bool']	void	[]
RDKit::MolDraw2D_detail::DrawMol::setOffsets in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:2897	['double', 'double']	void	[]
RDKit::MolDraw2D_detail::findRadicalExtremes in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:3918	['std::vector >', 'double', 'double', 'double', 'double']	void	[]
RDKit::FragCatParams::getFuncGroup in /src/rdkit/Code/GraphMol/FragCatalog/FragCatParams.cpp:65	['unsigned int']	ROMol	[]
testCase_1 in /src/rdkit/Code/GraphMol/MMPA/MMPA_UnitTest.cpp:662	[]	void	[]
testGithub6900 in /src/rdkit/Code/GraphMol/MMPA/MMPA_UnitTest.cpp:695	[]	void	[]
get_mmpa_frags_helper in /src/rdkit/Code/MinimalLib/jswrapper.cpp:404	['JSMolBase', 'unsigned int', 'unsigned int', 'unsigned int']	emscripten::val	[]
helpers::prepConf in /src/rdkit/External/pubchem_shape/Wrap/cshapealign.cpp:87	['RDKit::ROMol', 'int', 'python::object']	ShapeInput	[]
testMMFFMultiThread in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp:48	[]	void	[]
RDKit::ss_matcher::getMatcher in /src/rdkit/Code/GraphMol/Descriptors/USRDescriptor.cpp:141	[]	RDKit::ROMol	[]
testGetO3AForProbeConfs in /src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp:611	[]	void	[]
testO3AMultiThreadBug in /src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp:683	[]	void	[]
testMMFFO3AMultiThread in /src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp:486	[]	void	[]
testCrippenO3AMultiThread in /src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp:541	[]	void	[]
RDKit::MolAlign::PyO3A::align in /src/rdkit/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:247	[]	double	[]
RDKit::MolAlign::PyO3A::score in /src/rdkit/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:253	[]	double	[]
RDKit::Descriptors::makePropertyQuery in /src/rdkit/Code/GraphMol/Descriptors/Property.h:115	['std::string', 'double']	T	[]
RDKit::Descriptors::Properties::Properties in /src/rdkit/Code/GraphMol/Descriptors/Property.cpp:154	['std::vector ']	void	[]
RDKit::Descriptors::makePropertyRangeQuery in /src/rdkit/Code/GraphMol/Descriptors/Property.cpp:188	['std::string', 'double', 'double']	PROP_RANGE_QUERY	[]
RDKit::SynthonSpaceSearch::SynthonSpaceFingerprintSearcher::extraSearchSetup in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.cpp:115	['std::vector >>']	void	[]
RDKit::SynthonSpaceSearch::SynthonSpaceRascalSearcher::extraSearchSetup in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.cpp:73	['std::vector >>']	void	[]
RDKit::SynthonSpaceSearch::SynthonSpaceFingerprintSearcher::searchFragSet in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.cpp:160	['std::vector >', 'SynthonSet']	std::vector >	[]
RDKit::SynthonSpaceSearch::reorderFragments in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp:31	['std::vector >', 'std::vector >']	void	[]
RDKit::SynthonSpaceSearch::gatherPatternFPs in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp:65	['std::vector >', 'std::vector >']	std::vector	[]
RDKit::SynthonSpaceSearch::SynthonSpaceSubstructureSearcher::searchFragSet in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp:311	['std::vector >', 'SynthonSet']	std::vector >	[]
RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::SynthonSpaceHitSet in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceHitSet.cpp:14	['SynthonSet', 'std::vector >', 'std::vector >']	void	[]
RDKit::v1::MultithreadedSmilesMolSupplier in /src/rdkit/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h:64	[]	class RDKIT_FILEPARSERS_EXPORT	[]
RDKit::v1::MultithreadedSDMolSupplier in /src/rdkit/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.h:67	[]	class RDKIT_FILEPARSERS_EXPORT	[]
RDKit::v1::ForwardSDMolSupplier in /src/rdkit/Code/GraphMol/FileParsers/MolSupplier.v1API.h:128	[]	class RDKIT_FILEPARSERS_EXPORT	[]
RDKit::v1::SmilesMolSupplier in /src/rdkit/Code/GraphMol/FileParsers/MolSupplier.v1API.h:231	[]	class RDKIT_FILEPARSERS_EXPORT	[]
RDKit::v1::TDTMolSupplier in /src/rdkit/Code/GraphMol/FileParsers/MolSupplier.v1API.h:329	[]	class RDKIT_FILEPARSERS_EXPORT	[]
RDKit::v1::MaeMolSupplier in /src/rdkit/Code/GraphMol/FileParsers/MolSupplier.v1API.h:413	[]	class RDKIT_FILEPARSERS_EXPORT	[]
RDKit::v2::FileParsers::SCSRMol::getTemplate in /src/rdkit/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp:48	['unsigned int']	ROMol	[]
RDKit::v2::FileParsers::SCSRMol::getMol in /src/rdkit/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp:52	[]	ROMol	[]
RDKit::v1::MultithreadedMolSupplier in /src/rdkit/Code/GraphMol/FileParsers/MultithreadedMolSupplier.h:169	[]	class RDKIT_FILEPARSERS_EXPORT	[]
RDKit::Deprotect::DeprotectData::DeprotectData in /src/rdkit/Code/GraphMol/Deprotect/Deprotect.cpp:21	['std::string', 'std::string', 'std::string', 'std::string', 'std::string']	void	[]
RDGeom::PointND in /src/rdkit/Code/Geometry/point.h:426	[]	class RDKIT_RDGEOMETRYLIB_EXPORT	[]
RDKit::DGeomHelpers::EmbeddingOps::embedPoints in /src/rdkit/Code/GraphMol/DistGeomHelpers/Embedder.cpp:854	['RDGeom::PointPtrVect', 'detail::EmbedArgs', 'EmbedParameters', 'int', 'TimePoint']	bool	[]
RDKit::embedBoundsMatrix in /src/rdkit/Code/DistGeom/Wrap/DistGeom.cpp:70	['python::object']	PyObject	[]
get_as_uint8array in /src/rdkit/Code/MinimalLib/jswrapper.cpp:235	['JSMolBase', 'std::string']	emscripten::val	[]
get_as_uint8array_no_details in /src/rdkit/Code/MinimalLib/jswrapper.cpp:240	['JSMolBase']	emscripten::val	[]
JSMolBase::get_inchi in /src/rdkit/Code/MinimalLib/minilib.cpp:149	['std::string']	std::string	[]
JSMolBase::get_svg in /src/rdkit/Code/MinimalLib/minilib.cpp:138	['int', 'int']	std::string	[]
JSMolBase::get_morgan_fp in /src/rdkit/Code/MinimalLib/minilib.cpp:216	['std::string']	std::string	[]
JSMolBase::get_morgan_fp_as_binary_text in /src/rdkit/Code/MinimalLib/minilib.cpp:222	['std::string']	std::string	[]
get_pattern_fp_helper in /src/rdkit/Code/MinimalLib/jswrapper.cpp:286	['JSMolBase', 'emscripten::val']	std::string	[]
get_pattern_fp_as_uint8array_helper in /src/rdkit/Code/MinimalLib/jswrapper.cpp:292	['JSMolBase', 'emscripten::val']	emscripten::val	[]
get_pattern_fp_as_uint8array in /src/rdkit/Code/MinimalLib/jswrapper.cpp:299	['JSMolBase']	emscripten::val	[]
JSMolBase::get_topological_torsion_fp in /src/rdkit/Code/MinimalLib/minilib.cpp:242	['std::string']	std::string	[]
JSMolBase::get_topological_torsion_fp_as_binary_text in /src/rdkit/Code/MinimalLib/minilib.cpp:250	['std::string']	std::string	[]
JSMolBase::get_rdkit_fp in /src/rdkit/Code/MinimalLib/minilib.cpp:258	['std::string']	std::string	[]
JSMolBase::get_rdkit_fp_as_binary_text in /src/rdkit/Code/MinimalLib/minilib.cpp:264	['std::string']	std::string	[]
JSMolBase::get_atom_pair_fp in /src/rdkit/Code/MinimalLib/minilib.cpp:271	['std::string']	std::string	[]
JSMolBase::get_atom_pair_fp_as_binary_text in /src/rdkit/Code/MinimalLib/minilib.cpp:277	['std::string']	std::string	[]
generate_aligned_coords_helper in /src/rdkit/Code/MinimalLib/jswrapper.cpp:254	['JSMolBase', 'JSMolBase', 'emscripten::val']	std::string	[]
JSMolBase::get_prop_list in /src/rdkit/Code/MinimalLib/minilib.cpp:424	['bool', 'bool']	std::vector	[]
JSMolBase::set_prop in /src/rdkit/Code/MinimalLib/minilib.cpp:429	['std::string', 'std::string', 'bool']	bool	[]
JSMolBase::normalize_depiction in /src/rdkit/Code/MinimalLib/minilib.cpp:534	['int', 'double']	double	[]
JSMolBase::straighten_depiction in /src/rdkit/Code/MinimalLib/minilib.cpp:541	['bool']	void	[]
JSMolBase::get_num_atoms in /src/rdkit/Code/MinimalLib/minilib.cpp:565	['bool']	unsigned int	[]
&get()const in /src/rdkit/Code/MinimalLib/minilib.h:211	[]	RDKit::RWMol	[]
&get() in /src/rdkit/Code/MinimalLib/minilib.h:215	[]	RDKit::RWMol	[]
JSMolBase::get_smiles in /src/rdkit/Code/MinimalLib/minilib.cpp:111	['std::string']	std::string	[]
JSMolBase::get_cxsmiles in /src/rdkit/Code/MinimalLib/minilib.cpp:117	['std::string']	std::string	[]
JSMolBase::get_smarts in /src/rdkit/Code/MinimalLib/minilib.cpp:127	['std::string']	std::string	[]
JSMolBase::get_cxsmarts in /src/rdkit/Code/MinimalLib/minilib.cpp:133	['std::string']	std::string	[]
JSMolBase::get_svg_with_highlights in /src/rdkit/Code/MinimalLib/minilib.cpp:141	['std::string']	std::string	[]
JSMolBase::get_json in /src/rdkit/Code/MinimalLib/minilib.cpp:160	[]	std::string	[]
JSMolBase::get_substruct_match in /src/rdkit/Code/MinimalLib/minilib.cpp:172	['JSMolBase']	std::string	[]
JSMolBase::get_substruct_matches in /src/rdkit/Code/MinimalLib/minilib.cpp:189	['JSMolBase']	std::string	[]
JSMolBase::get_descriptors in /src/rdkit/Code/MinimalLib/minilib.cpp:212	[]	std::string	[]
get_avalon_fp_as_binary_text in /src/rdkit/Code/MinimalLib/minilib.cpp:303	['std::string']	std::string	[]
JSMolBase::convert_to_kekule_form in /src/rdkit/Code/MinimalLib/minilib.cpp:380	[]	void	[]
JSMolBase::has_prop in /src/rdkit/Code/MinimalLib/minilib.cpp:420	['std::string']	bool	[]
JSMolBase::get_prop in /src/rdkit/Code/MinimalLib/minilib.cpp:435	['std::string']	std::string	[]
JSMolBase::clear_prop in /src/rdkit/Code/MinimalLib/minilib.cpp:444	['std::string']	bool	[]
JSMolBase::has_coords in /src/rdkit/Code/MinimalLib/minilib.cpp:527	[]	int	[]
JSMolBase::get_num_bonds in /src/rdkit/Code/MinimalLib/minilib.cpp:569	[]	unsigned int	[]
Eigen::internal::imklfft::forward in /src/eigen/unsupported/Eigen/src/FFT/imklfft_impl.h:150	['complex_type', 'scalar_type', 'MKL_LONG']	void	[]
Eigen::internal::imklfft::inverse in /src/eigen/unsupported/Eigen/src/FFT/imklfft_impl.h:157	['scalar_type', 'complex_type', 'MKL_LONG']	void	[]
Eigen::internal::imklfft::forward2 in /src/eigen/unsupported/Eigen/src/FFT/imklfft_impl.h:164	['complex_type', 'complex_type', 'int', 'int']	void	[]
Eigen::internal::imklfft::inverse2 in /src/eigen/unsupported/Eigen/src/FFT/imklfft_impl.h:172	['complex_type', 'complex_type', 'int', 'int']	void	[]
evalSubExprsIfNeededCommon in /src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorReduction.h:666	['EvaluatorPointerType']	EIGEN_STRONG_INLINE	[]

Sink functions/methods found for CWE20

Target sink

Reached by fuzzer

Function call path

Possible branch blockers

get

['/src/rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc']

N/A

Blocker function	Arguments type	Return type	Constants touched
testMultiThread2 in /src/rdkit/External/INCHI-API/test.cpp:112	[]	void	[]
GapeGa::StringChromosomeBase ::equals in /src/rdkit/External/GA/ga/StringChromosomeBase.h:90	['StringChromosomeBase']	bool	[]
RDKit::RGroupDecompositionChromosome::copyGene in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupGa.cpp:81	['StringChromosomeBase ']	void	[]
GapeGa::StringChromosomeBase ::twoPointCrossover in /src/rdkit/External/GA/ga/StringChromosomeBase.h:153	['StringChromosomeBase', 'StringChromosomeBase', 'StringChromosomeBase']	void	[]
GapeGa::StringChromosomeBase ::onePointCrossover in /src/rdkit/External/GA/ga/StringChromosomeBase.h:205	['StringChromosomeBase', 'StringChromosomeBase', 'StringChromosomeBase']	void	[]
GapeGa::StringChromosomeBase ::getString in /src/rdkit/External/GA/ga/StringChromosomeBase.h:261	[]	T	[]
GarethUtil::filterUniquePtrListToRawPtrList in /src/rdkit/External/GA/util/Util.h:301	['std::vector >', 'function ']	std::vector	[]
GarethUtil::filterUniquePtrListToConstRawPtrList in /src/rdkit/External/GA/util/Util.h:322	['std::vector >', 'function ']	std::vector	[]
RDKit::MultiFPBReader in /src/rdkit/Code/DataStructs/MultiFPBReader.h:53	[]	class RDKIT_DATASTRUCTS_EXPORT	[]
RDKit::DiscreteValueVect::getData in /src/rdkit/Code/DataStructs/DiscreteValueVect.cpp:94	[]	std::uint32_t	[]
RDKit::DiscreteValueVect::toString in /src/rdkit/Code/DataStructs/DiscreteValueVect.cpp:150	[]	std::string	[]
real_qz in /src/eigen/test/real_qz.cpp:16	['MatrixType']	void	[]
schur in /src/eigen/test/schur_complex.cpp:15	[]	void	[]
tiny_blitz_interface::matrix_matrix_product in /src/eigen/bench/btl/libs/blitz/tiny_blitz_interface.hh:82	['gene_matrix', 'gene_matrix', 'gene_matrix', 'int']	void	[]
tiny_blitz_interface::matrix_vector_product in /src/eigen/bench/btl/libs/blitz/tiny_blitz_interface.hh:86	['gene_matrix', 'gene_vector', 'gene_vector', 'int']	void	[]
lu_non_invertible in /src/eigen/test/lu.cpp:21	[]	void	[]
product_extra in /src/eigen/test/product_extra.cpp:13	['MatrixType']	void	[]
quaternion in /src/eigen/test/geo_quaternion.cpp:47	[]	void	[]
check_stdlist_transform in /src/eigen/test/stdlist.cpp:44	[]	void	[]
check_stdlist_quaternion in /src/eigen/test/stdlist.cpp:71	[]	void	[]
integer_type_tests in /src/eigen/test/integer_types.cpp:46	['MatrixType']	void	[]
eigensolver in /src/eigen/test/eigensolver_complex.cpp:69	['MatrixType']	void	[]
bdcsvd_method in /src/eigen/test/bdcsvd.cpp:26	[]	void	[]
check_stddeque_transform in /src/eigen/test/stddeque.cpp:44	[]	void	[]
check_stddeque_quaternion in /src/eigen/test/stddeque.cpp:71	[]	void	[]
inverse_permutation_4x4 in /src/eigen/test/prec_inverse_4x4.cpp:15	[]	void	[]
selfadjointeigensolver in /src/eigen/test/eigensolver_selfadjoint.cpp:65	['MatrixType']	void	[]
test_simplicial_cholesky_T in /src/eigen/test/simplicial_cholesky.cpp:13	[]	void	[]
test_cholmod_T in /src/eigen/test/cholmod_support.cpp:67	[]	void	[]
test_umfpack_support_T in /src/eigen/test/umfpack_support.cpp:16	[]	void	[]
test_sparselu_T in /src/eigen/test/sparselu.cpp:22	[]	void	[]
array_real in /src/eigen/test/array_cwise.cpp:768	['ArrayType']	void	[]
array_complex in /src/eigen/test/array_cwise.cpp:922	['ArrayType']	void	[]
Eigen::LevenbergMarquardt ::lmstr1 in /src/eigen/unsupported/Eigen/src/NonLinearOptimization/LevenbergMarquardt.h:328	['FVectorType', 'Scalar']	LevenbergMarquardtSpace::Status	[]
Eigen::LevenbergMarquardt ::lmder1 in /src/eigen/unsupported/Eigen/src/LevenbergMarquardt/LevenbergMarquardt.h:324	['FVectorType', 'Scalar']	LevenbergMarquardtSpace::Status	[]
Eigen::MatrixPower ::compute in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixPower.h:444	['ResultType', 'RealScalar']	void	[]
Eigen::SparseQR ::analyzePattern in /src/eigen/Eigen/src/SparseQR/SparseQR.h:314	['MatrixType']	void	[]
Eigen::SparseQR ::factorize in /src/eigen/Eigen/src/SparseQR/SparseQR.h:356	['MatrixType']	void	[]
Eigen::SparseLU ::factorize in /src/eigen/Eigen/src/SparseLU/SparseLU.h:611	['MatrixType']	void	[]
Eigen::IncompleteCholesky::_solve_impl in /src/eigen/Eigen/src/IterativeLinearSolvers/IncompleteCholesky.h:150	['Rhs', 'Dest']	void	[]
Eigen::IncompleteLUT ::analyzePattern in /src/eigen/Eigen/src/IterativeLinearSolvers/IncompleteLUT.h:240	['MatrixType_']	void	[]
Eigen::PartialPivLU ::reconstructedMatrix in /src/eigen/Eigen/src/LU/PartialPivLU.h:525	[]	MatrixType	[]
Eigen::FullPivLU ::reconstructedMatrix in /src/eigen/Eigen/src/LU/FullPivLU.h:569	[]	MatrixType	[]
alignedboxNonIntegralRotatable in /src/eigen/test/geo_alignedbox.cpp:296	['BoxType']	void	[]
Eigen::Transform ::computeRotationScaling in /src/eigen/Eigen/src/Geometry/Transform.h:1052	['RotationMatrixType', 'ScalingMatrixType']	EIGEN_DEVICE_FUNC	[]
Eigen::Transform ::computeScalingRotation in /src/eigen/Eigen/src/Geometry/Transform.h:1083	['ScalingMatrixType', 'RotationMatrixType']	EIGEN_DEVICE_FUNC	[]
miscMatrices in /src/eigen/test/miscmatrices.cpp:13	['MatrixType']	void	[]
diagonalmatrices in /src/eigen/test/diagonalmatrices.cpp:18	['MatrixType']	void	[]
check_stdvector_quaternion in /src/eigen/test/stdvector.cpp:78	[]	void	[]
jacobisvd_method in /src/eigen/test/jacobisvd.cpp:23	[]	void	[]
run_test in /src/eigen/test/umeyama.cpp:83	['int', 'int']	void	[]
svd_preallocate in /src/eigen/test/svd_common.h:353	[]	void	[]
sparse_basic in /src/eigen/test/sparse_basic.cpp:25	['SparseMatrixType']	void	[]
Eigen::createRandomPIMatrixOfRank in /src/eigen/test/random_matrix_helper.h:60	['Index', 'Index', 'Index', 'MatrixType']	void	[]
Eigen::generateRandomMatrixSvs in /src/eigen/test/random_matrix_helper.h:169	['RealScalarVectorType', 'Index', 'Index', 'MatrixType']	void	[]
test_2856 in /src/eigen/test/bicgstab.cpp:30	[]	void	[]
run_fixed_size_test in /src/eigen/test/umeyama.cpp:112	['int']	void	[]
cholesky_cplx in /src/eigen/test/cholesky.cpp:271	['MatrixType']	void	[]
Action_cholesky::calculate in /src/eigen/bench/btl/actions/action_cholesky.hh:83	[]	void	[]
non_projective_only in /src/eigen/test/geo_transformations.cpp:28	[]	void	[]
transformations in /src/eigen/test/geo_transformations.cpp:87	[]	void	[]
transformations_no_scale in /src/eigen/test/geo_transformations.cpp:613	[]	void	[]
rotate4DZWAxis in /src/eigen/test/geo_alignedbox.cpp:197	['Scalar']	Rotation	[]
test_non_spd in /src/eigen/test/incomplete_cholesky.cpp:57	[]	void	[]
GpuHelper::pushProjectionMode2D in /src/eigen/demos/opengl/gpuhelper.cpp:28	['ProjectionMode2D']	void	[]
GpuHelper::drawVector in /src/eigen/demos/opengl/gpuhelper.cpp:48	['Vector3f', 'Vector3f', 'Color', 'float']	void	[]
GpuHelper::drawVectorBox in /src/eigen/demos/opengl/gpuhelper.cpp:67	['Vector3f', 'Vector3f', 'Color', 'float']	void	[]
randomTest in /src/eigen/unsupported/test/matrix_exponential.cpp:87	['MatrixType', 'double']	void	[]
Eigen::internal::idrs in /src/eigen/unsupported/Eigen/src/IterativeSolvers/IDRS.h:58	['MatrixType', 'Rhs', 'Dest', 'Preconditioner', 'Index', 'typename Dest::RealScalar', 'Index', 'bool', 'typename Dest::RealScalar', 'bool']	bool	[]
Eigen::internal::idrstabl in /src/eigen/unsupported/Eigen/src/IterativeSolvers/IDRSTABL.h:46	['MatrixType', 'Rhs', 'Dest', 'Preconditioner', 'Index', 'typename Dest::RealScalar', 'Index', 'Index']	bool	[]
Eigen::internal::companion::denseMatrix in /src/eigen/unsupported/Eigen/src/Polynomials/Companion.h:80	[]	DenseCompanionMatrixType	[]
Eigen::matrix_sqrt_quasi_triangular in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixSquareRoot.h:172	['MatrixType', 'ResultType']	void	[]
Eigen::internal::matrix_exp_pade3 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:76	['MatA', 'MatU', 'MatV']	void	[]
Eigen::internal::matrix_exp_pade5 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:92	['MatA', 'MatU', 'MatV']	void	[]
Eigen::internal::matrix_exp_pade7 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:109	['MatA', 'MatU', 'MatV']	void	[]
Eigen::internal::matrix_exp_pade9 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:127	['MatA', 'MatU', 'MatV']	void	[]
Eigen::internal::matrix_exp_pade13 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:148	['MatA', 'MatU', 'MatV']	void	[]
Eigen::internal::matrix_exp_pade17 in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixExponential.h:186	['MatA', 'MatU', 'MatV']	void	[]
Eigen::MatrixPowerAtomic ::compute in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixPower.h:139	['ResultType']	void	[]
Eigen::internal::matrix_function_compute_mu in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixFunction.h:53	['MatrixType']	typename NumTraits ::Real	[]
Eigen::internal::MatrixFunctionAtomic ::compute in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixFunction.h:63	['MatrixType']	MatrixType	[]
Eigen::internal::matrix_log_compute_big in /src/eigen/unsupported/Eigen/src/MatrixFunctions/MatrixLogarithm.h:226	['MatrixType', 'MatrixType']	void	[]
Eigen::CompleteOrthogonalDecomposition::matrixZ in /src/eigen/Eigen/src/QR/CompleteOrthogonalDecomposition.h:151	[]	MatrixType	[]
&ComplexSchur ::compute(constEigenBase &matrix,boolcomputeU) in /src/eigen/Eigen/src/Eigenvalues/ComplexSchur.h:314	['EigenBase ', 'bool']	ComplexSchur	[]
Eigen::RealQZ ::hessenbergTriangular in /src/eigen/Eigen/src/Eigenvalues/RealQZ.h:217	[]	void	[]
testVectorType in /src/eigen/test/nullary.cpp:62	['VectorType']	void	[]
test_autodiff_hessian in /src/eigen/unsupported/test/autodiff.cpp:224	[]	void	[]
Eigen::internal::gmres in /src/eigen/unsupported/Eigen/src/IterativeSolvers/GMRES.h:59	['MatrixType', 'Rhs', 'Dest', 'Preconditioner', 'Index', 'Index', 'typename Dest::RealScalar']	bool	[]
operator()(constInputType&x,ValueTypev,JacobianType_jac,constParamsType&...Params)const in /src/eigen/unsupported/Eigen/src/AutoDiff/AutoDiffJacobian.h:47	['InputType', 'ValueType', 'JacobianType']	void	[]
eulerangles in /src/eigen/test/geo_eulerangles.cpp:97	[]	void	[]
eulerangles_manual in /src/eigen/unsupported/test/EulerAngles.cpp:185	[]	void	[]
eulerangles_rand in /src/eigen/unsupported/test/EulerAngles.cpp:217	[]	void	[]
Camera::right in /src/eigen/demos/opengl/camera.cpp:79	[]	Vector3f	[]
RenderingWidget::paintGL in /src/eigen/demos/opengl/quaternion_demo.cpp:407	[]	void	[]
RenderingWidget::mouseMoveEvent in /src/eigen/demos/opengl/quaternion_demo.cpp:359	['QMouseEvent*']	void	[]
test_autodiff_scalar in /src/eigen/unsupported/test/autodiff.cpp:190	[]	void	[]
test_autodiff_vector in /src/eigen/unsupported/test/autodiff.cpp:201	[]	void	[]
check_atan2 in /src/eigen/unsupported/test/autodiff_scalar.cpp:19	[]	void	[]
check_hyperbolic_functions in /src/eigen/unsupported/test/autodiff_scalar.cpp:40	[]	void	[]
Eigen::AngleAxis::Identity in /src/eigen/Eigen/src/Geometry/AngleAxis.h:151	[]	EIGEN_DEVICE_FUNC	[]
Camera::localTranslate in /src/eigen/demos/opengl/camera.cpp:150	['Vector3f']	void	[]
Camera::localRotate in /src/eigen/demos/opengl/camera.cpp:135	['Quaternionf']	void	[]
Camera::zoom in /src/eigen/demos/opengl/camera.cpp:142	['float']	void	[]
MatrixBase ::UnitW in /src/eigen/Eigen/src/Core/CwiseNullaryOp.h:937	[]	typename MatrixBase ::BasisReturnType	[]
Eigen::PartialPivLU::rcond in /src/eigen/Eigen/src/LU/PartialPivLU.h:190	[]	RealScalar	[]
Eigen::FullPivLU::rcond in /src/eigen/Eigen/src/LU/FullPivLU.h:256	[]	RealScalar	[]
Eigen::LLT::rcond in /src/eigen/Eigen/src/Cholesky/LLT.h:152	[]	RealScalar	[]
Eigen::LDLT::rcond in /src/eigen/Eigen/src/Cholesky/LDLT.h:206	[]	RealScalar	[]
Eigen::SkewSymmetricBase::exponential in /src/eigen/Eigen/src/Core/SkewSymmetricMatrix3.h:75	[]	void	[]
Eigen::umeyama in /src/eigen/Eigen/src/Geometry/Umeyama.h:90	['MatrixBase ', 'MatrixBase ']	typename internal::umeyama_transform_matrix_type ::type	[]
Eigen::Transform::Identity in /src/eigen/Eigen/src/Geometry/Transform.h:519	[]	EIGEN_DEVICE_FUNC	[]
BDCSVD ::copyUV in /src/eigen/Eigen/src/SVD/BDCSVD.h:422	['HouseholderU', 'HouseholderV', 'NaiveU', 'NaiveV']	void	[]
RDNumeric::SymmMatrix::getRow in /src/rdkit/Code/Numerics/SymmMatrix.h:107	['unsigned int', 'Vector ']	void	[]
RDNumeric::SymmMatrix::getCol in /src/rdkit/Code/Numerics/SymmMatrix.h:122	['unsigned int', 'Vector ']	void	[]
RDNumeric::SymmMatrix::getData in /src/rdkit/Code/Numerics/SymmMatrix.h:141	[]	TYPE	[]
&operator*=(TYPEscale) in /src/rdkit/Code/Numerics/Matrix.h:197	['TYPE']	Matrix	[]
&operator/=(TYPEscale) in /src/rdkit/Code/Numerics/Matrix.h:207	['TYPE']	Matrix	[]
&operator+=(constSymmMatrix &other) in /src/rdkit/Code/Numerics/SymmMatrix.h:159	['SymmMatrix ']	SymmMatrix	[]
&operator-=(constSymmMatrix &other) in /src/rdkit/Code/Numerics/SymmMatrix.h:170	['SymmMatrix ']	SymmMatrix	[]
&operator*=(constSymmMatrix &B) in /src/rdkit/Code/Numerics/SymmMatrix.h:182	['SymmMatrix ']	SymmMatrix	[]
&transpose(SymmMatrix &transpose)const in /src/rdkit/Code/Numerics/SymmMatrix.h:219	['SymmMatrix ']	SymmMatrix	[]
RDNumeric::Vector::getData in /src/rdkit/Code/Numerics/Vector.h:108	[]	TYPE	[]
&assign(constVector &other) in /src/rdkit/Code/Numerics/Vector.h:117	['Vector ']	Vector	[]
&operator+=(constVector &other) in /src/rdkit/Code/Numerics/Vector.h:126	['Vector ']	Vector	[]
&operator-=(constVector &other) in /src/rdkit/Code/Numerics/Vector.h:138	['Vector ']	Vector	[]
test_cwise_real in /src/eigen/test/matrix_cwise.cpp:53	['MatrixType']	void	[]
test_cwise_complex in /src/eigen/test/matrix_cwise.cpp:216	['MatrixType']	void	[]
eigen2support in /src/eigen/test/eigen2support.cpp:15	['MatrixType']	void	[]
test_pastix_T in /src/eigen/test/pastix_support.cpp:17	[]	void	[]
test_pardiso_T in /src/eigen/test/pardiso_support.cpp:9	[]	void	[]
test_conjugate_gradient_T in /src/eigen/test/conjugate_gradient.cpp:14	[]	void	[]
test_incomplete_cholesky_T in /src/eigen/test/incomplete_cholesky.cpp:15	[]	void	[]
test_minres_T in /src/eigen/unsupported/test/minres.cpp:16	[]	void	[]
test_lscg_T in /src/eigen/test/lscg.cpp:14	[]	void	[]
test_klu_support_T in /src/eigen/test/klu_support.cpp:16	[]	void	[]
test_pastix_T_LU in /src/eigen/test/pastix_support.cpp:42	[]	void	[]
test_bicgstab_T in /src/eigen/test/bicgstab.cpp:14	[]	void	[]
test_metis_T in /src/eigen/test/metis_support.cpp:16	[]	void	[]
test_idrs_T in /src/eigen/unsupported/test/idrs.cpp:15	[]	void	[]
test_bicgstabl_T in /src/eigen/unsupported/test/bicgstabl.cpp:15	[]	void	[]
test_gmres_T in /src/eigen/unsupported/test/gmres.cpp:15	[]	void	[]
test_idrstabl_T in /src/eigen/unsupported/test/idrstabl.cpp:14	[]	void	[]
test_dgmres_T in /src/eigen/unsupported/test/dgmres.cpp:15	[]	void	[]
run_nesting_ops_2 in /src/eigen/test/nesting_ops.cpp:47	['MatrixType']	void	[]
sparse_vector in /src/eigen/test/sparse_vector.cpp:13	['int', 'int']	void	[]
run_nesting_ops_1 in /src/eigen/test/nesting_ops.cpp:31	['MatrixType']	void	[]
triangular_rect in /src/eigen/test/triangular.cpp:187	['MatrixType']	void	[]
bdcsvd_thin_options in /src/eigen/test/bdcsvd.cpp:65	[]	void	[]
jacobisvd_thin_options in /src/eigen/test/jacobisvd.cpp:37	[]	void	[]
bdcsvd_full_options in /src/eigen/test/bdcsvd.cpp:70	[]	void	[]
jacobisvd_full_options in /src/eigen/test/jacobisvd.cpp:47	[]	void	[]
orthomethods_3 in /src/eigen/test/geo_orthomethods.cpp:20	[]	void	[]
testLmder in /src/eigen/unsupported/test/NonLinearOptimization.cpp:175	[]	void	[]
testLmdif in /src/eigen/unsupported/test/NonLinearOptimization.cpp:528	[]	void	[]
Eigen::HouseholderQR ::determinant in /src/eigen/Eigen/src/QR/HouseholderQR.h:321	[]	typename MatrixType::Scalar	[]
Eigen::HouseholderQR ::absDeterminant in /src/eigen/Eigen/src/QR/HouseholderQR.h:330	[]	typename MatrixType::RealScalar	[]
Eigen::HouseholderQR ::logAbsDeterminant in /src/eigen/Eigen/src/QR/HouseholderQR.h:338	[]	typename MatrixType::RealScalar	[]
Eigen::HouseholderQR ::signDeterminant in /src/eigen/Eigen/src/QR/HouseholderQR.h:345	[]	typename MatrixType::Scalar	[]
Eigen::ColPivHouseholderQR ::determinant in /src/eigen/Eigen/src/QR/ColPivHouseholderQR.h:440	[]	typename MatrixType::Scalar	[]
Eigen::ColPivHouseholderQR ::absDeterminant in /src/eigen/Eigen/src/QR/ColPivHouseholderQR.h:449	[]	typename MatrixType::RealScalar	[]
Eigen::ColPivHouseholderQR ::logAbsDeterminant in /src/eigen/Eigen/src/QR/ColPivHouseholderQR.h:457	[]	typename MatrixType::RealScalar	[]
Eigen::ColPivHouseholderQR ::signDeterminant in /src/eigen/Eigen/src/QR/ColPivHouseholderQR.h:464	[]	typename MatrixType::Scalar	[]
Eigen::FullPivHouseholderQR ::determinant in /src/eigen/Eigen/src/QR/FullPivHouseholderQR.h:448	[]	typename MatrixType::Scalar	[]
Eigen::FullPivHouseholderQR ::absDeterminant in /src/eigen/Eigen/src/QR/FullPivHouseholderQR.h:457	[]	typename MatrixType::RealScalar	[]
Eigen::FullPivHouseholderQR ::logAbsDeterminant in /src/eigen/Eigen/src/QR/FullPivHouseholderQR.h:465	[]	typename MatrixType::RealScalar	[]
Eigen::FullPivHouseholderQR ::signDeterminant in /src/eigen/Eigen/src/QR/FullPivHouseholderQR.h:472	[]	typename MatrixType::Scalar	[]
Eigen::HouseholderSequence::evalTo in /src/eigen/Eigen/src/Householder/HouseholderSequence.h:261	['Dest', 'Workspace']	EIGEN_DEVICE_FUNC	[]
internal::extract_kernel in /src/eigen/Eigen/src/Eigenvalues/SelfAdjointEigenSolver.h:607	['MatrixType', 'Ref ', 'Ref ']	EIGEN_DEVICE_FUNC	[]
&GeneralizedEigenSolver ::compute(constMatrixType&A, constMatrixType&B, boolcomputeEigenvectors) in /src/eigen/Eigen/src/Eigenvalues/GeneralizedEigenSolver.h:276	['MatrixType', 'MatrixType', 'bool']	GeneralizedEigenSolver	[]
Eigen::DiagonalBase::coeff in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:73	['Index', 'Index']	EIGEN_DEVICE_FUNC	[]
DiagonalProductReturnType operator*( constDiagonalBase &other)const in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:96	['DiagonalBase ']	EIGEN_DEVICE_FUNC	[]
Eigen::DiagonalBase::inverse in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:105	[]	void	[]
operator*(constScalar&scalar, constDiagonalBase&other) in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:121	['Scalar', 'DiagonalBase']	ScaleDiagonalReturnType	[]
DiagonalSumReturnType operator+( constDiagonalBase &other)const in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:132	['DiagonalBase ']	EIGEN_DEVICE_FUNC	[]
DiagonalDifferenceReturnType operator-( constDiagonalBase &other)const in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:143	['DiagonalBase ']	EIGEN_DEVICE_FUNC	[]
Eigen::DiagonalMatrix::m_diagonal in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:228	[]	EIGEN_DEVICE_FUNC	[]
&operator=(constDiagonalBase &other) in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:241	['DiagonalBase ']	EIGEN_DEVICE_FUNC	[]
&operator=(constDiagonalMatrix&other) in /src/eigen/Eigen/src/Core/DiagonalMatrix.h:250	['DiagonalMatrix']	EIGEN_DEVICE_FUNC	[]
TriangularView::determinant in /src/eigen/Eigen/src/Core/TriangularMatrix.h:274	[]	EIGEN_DEVICE_FUNC	[]
Eigen::SimplicialLLT::determinant in /src/eigen/Eigen/src/SparseCholesky/SimplicialCholesky.h:426	[]	Scalar	[]
Eigen::SimplicialNonHermitianLLT::determinant in /src/eigen/Eigen/src/SparseCholesky/SimplicialCholesky.h:595	[]	Scalar	[]
Eigen::PartialPivLU ::determinant in /src/eigen/Eigen/src/LU/PartialPivLU.h:515	[]	typename PartialPivLU ::Scalar	[]
Eigen::FullPivLU ::determinant in /src/eigen/Eigen/src/LU/FullPivLU.h:559	[]	typename internal::traits ::Scalar	[]
Eigen::LDLT::vectorD in /src/eigen/Eigen/src/Cholesky/LDLT.h:160	[]	Diagonal	[]
Eigen::internal::UpperBidiagonalization::householderU in /src/eigen/Eigen/src/SVD/UpperBidiagonalization.h:71	[]	HouseholderUSequenceType	[]
diagonal_assert in /src/eigen/test/diagonal.cpp:67	['MatrixType']	void	[]
generalized_eigensolver_real in /src/eigen/test/eigensolver_generalized_real.cpp:17	['MatrixType']	void	[]
generalized_eigensolver_assert in /src/eigen/test/eigensolver_generalized_real.cpp:89	[]	void	[]
jacobi in /src/eigen/test/jacobi.cpp:15	[]	void	[]
test_conversion_to in /src/eigen/test/float_conversion.cpp:34	[]	void	[]
Action_hessenberg::calculate in /src/eigen/bench/btl/actions/action_hessenberg.hh:83	[]	void	[]
RDKit::Canon::getChiralBonds in /src/rdkit/Code/GraphMol/new_canon.cpp:479	['ROMol', 'Atom*', 'std::vector ']	void	[]
RDKit::MolStandardize::Reionizer::reionize in /src/rdkit/Code/GraphMol/MolStandardize/Charge.cpp:98	['ROMol']	ROMol	[]
testFragmentOnSomeBonds in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1815	[]	void	[]
testGithubIssue429 in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1877	[]	void	[]
testGithubIssue430 in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1912	[]	void	[]
RDKit::fragmentOnSomeBondsHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:46	['ROMol', 'python::object', 'unsigned int', 'bool', 'python::object', 'python::object', 'bool']	python::tuple	[]
testFragmentOnBRICSBonds in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1662	[]	void	[]
testGithub1734 in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:2020	[]	void	[]
testFragmentOnBonds in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1554	[]	void	[]
testGithubIssue511 in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1947	[]	void	[]
RDKit::fragmentOnBondsHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:122	['ROMol', 'python::object', 'bool', 'python::object', 'python::object', 'python::list']	ROMol	[]
RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::search in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp:53	[]	SearchResults	[]
RDKit::SynthonSpaceSearch::SynthonSet::makeSynthonSearchMols in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp:266	[]	void	[]
RDKit::MolDraw2D_detail::DrawMolMCH::extractHighlights in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMolMCH.cpp:35	['double']	void	[]
RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractHighlights in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp:35	['double']	void	[]
RDKit::MolDraw2D_detail::DrawMol::createDrawObjects in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:125	[]	void	[]
RDKit::MolDraw2D_detail::DrawMol::setTransformation in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:2878	['DrawMol']	void	[]
RDDepict::EmbeddedFrag::matchToTemplate in /src/rdkit/Code/GraphMol/Depictor/EmbeddedFrag.cpp:456	['RDKit::INT_VECT', 'unsigned int']	bool	[]
RDKit::FeatTrees::molToBaseTree in /src/rdkit/Code/GraphMol/Basement/FeatTrees/FeatTree.cpp:25	['ROMol']	FeatTreeGraphSPtr	[]
bug1684 in /src/eigen/test/array_reverse.cpp:168	[]	void	[]
vectorVisitor in /src/eigen/test/visitor.cpp:132	['VectorType']	void	[]
permutationmatrices in /src/eigen/test/permutationmatrices.cpp:16	['MatrixType']	void	[]
check_qtvector_matrix in /src/eigen/test/qtvector.cpp:19	['MatrixType']	void	[]
run_matrix_tests in /src/eigen/test/conservative_resize.cpp:18	[]	void	[]
run_vector_tests in /src/eigen/test/conservative_resize.cpp:58	[]	void	[]
triangular_square in /src/eigen/test/triangular.cpp:40	['MatrixType']	void	[]
bug_159 in /src/eigen/test/selfadjoint.cpp:47	[]	void	[]
upperbidiag in /src/eigen/test/upperbidiagonalization.cpp:14	['MatrixType']	void	[]
test_dense_types in /src/eigen/test/serializer.cpp:170	['T1', 'T2', 'T3']	void	[]
stable_norm in /src/eigen/test/stable_norm.cpp:18	['MatrixType']	void	[]
lu_invertible in /src/eigen/test/lu.cpp:98	[]	void	[]
lu_partial_piv in /src/eigen/test/lu.cpp:142	[]	void	[]
vectorwiseop_array in /src/eigen/test/vectorwiseop.cpp:16	['ArrayType']	void	[]
vectorwiseop_matrix in /src/eigen/test/vectorwiseop.cpp:97	['MatrixType']	void	[]
vectorwiseop_mixedscalar in /src/eigen/test/vectorwiseop.cpp:217	[]	void	[]
fixedsizeVariadicVectorConstruction in /src/eigen/test/initializer_list_construction.cpp:103	[]	void	[]
mixingtypes in /src/eigen/test/mixingtypes.cpp:48	[]	void	[]
bug_817 in /src/eigen/test/product_extra.cpp:211	[]	void	[]
bug_1308 in /src/eigen/test/product_extra.cpp:309	[]	void	[]
bug_1311 in /src/eigen/test/product_small.cpp:227	[]	void	[]
product_small_regressions in /src/eigen/test/product_small.cpp:245	[]	void	[]
product_sweep in /src/eigen/test/product_small.cpp:279	['int', 'int', 'int']	void	[]
mapQuaternion in /src/eigen/test/geo_quaternion.cpp:190	[]	void	[]
check_stdlist_matrix in /src/eigen/test/stdlist.cpp:16	['MatrixType']	void	[]
test_stl_iterators in /src/eigen/test/stl_iterators.cpp:106	[]	void	[]
test_stl_container_detection in /src/eigen/test/stl_iterators.cpp:555	[]	void	[]
selfadjoint in /src/eigen/test/selfadjoint.cpp:17	['MatrixType']	void	[]
signed_integer_type_tests in /src/eigen/test/integer_types.cpp:18	['MatrixType']	void	[]
eigensolver_verify_assert in /src/eigen/test/eigensolver_complex.cpp:140	['MatrixType']	void	[]
product_large_regressions in /src/eigen/test/product_large.cpp:38	[]	void	[]
qr in /src/eigen/test/qr_fullpivoting.cpp:16	[]	void	[]
qr_invertible in /src/eigen/test/qr_fullpivoting.cpp:71	[]	void	[]
compare_bdc_jacobi_instance in /src/eigen/test/bdcsvd.cpp:50	['bool']	void	[]
check_stddeque_matrix in /src/eigen/test/stddeque.cpp:16	['MatrixType']	void	[]
ref_matrix in /src/eigen/test/ref.cpp:34	['MatrixType']	void	[]
ref_vector in /src/eigen/test/ref.cpp:80	['VectorType']	void	[]
ref_vector_fixed_sizes in /src/eigen/test/ref.cpp:150	[]	void	[]
test_sparseqr_scalar in /src/eigen/test/sparseqr.cpp:43	[]	void	[]
cod in /src/eigen/test/qr_colpivoting.cpp:17	[]	void	[]
sparse_solvers in /src/eigen/test/sparse_solvers.cpp:29	['int', 'int']	void	[]
inverse_general_4x4 in /src/eigen/test/prec_inverse_4x4.cpp:26	['int']	void	[]
symm in /src/eigen/test/product_symm.cpp:13	[]	void	[]
sparse_product in /src/eigen/test/sparse_product.cpp:37	[]	void	[]
product_selfadjoint in /src/eigen/test/product_selfadjoint.cpp:13	['MatrixType']	void	[]
inplace in /src/eigen/test/inplace_decomposition.cpp:18	[]	void	[]
transform_associativity in /src/eigen/test/geo_transformations.cpp:517	['RotationType']	void	[]
map_class_vector in /src/eigen/test/mapped_matrix.cpp:15	['VectorType']	void	[]
map_class_matrix in /src/eigen/test/mapped_matrix.cpp:50	['MatrixType']	void	[]
basicStuff in /src/eigen/test/basicstuff.cpp:25	['MatrixType']	void	[]
basicStuffComplex in /src/eigen/test/basicstuff.cpp:164	['MatrixType']	void	[]
parametrizedline in /src/eigen/test/geo_parametrizedline.cpp:17	['LineType']	void	[]
matrixRedux in /src/eigen/test/redux.cpp:18	['MatrixType']	void	[]
vectorRedux in /src/eigen/test/redux.cpp:93	['VectorType']	void	[]
map_static_methods in /src/eigen/test/mapped_matrix.cpp:136	['VectorType']	void	[]
unaryview_stride in /src/eigen/test/unaryview.cpp:13	['VectorType']	void	[]
test_unaryview_solve in /src/eigen/test/unaryview.cpp:51	[]	void	[]
constructors in /src/eigen/test/skew_symmetric_matrix3.cpp:13	[]	void	[]
assignments in /src/eigen/test/skew_symmetric_matrix3.cpp:38	[]	void	[]
plusMinus in /src/eigen/test/skew_symmetric_matrix3.cpp:56	[]	void	[]
multiplyScale in /src/eigen/test/skew_symmetric_matrix3.cpp:87	[]	void	[]
skewSymmetricMultiplication in /src/eigen/test/skew_symmetric_matrix3.cpp:115	['Matrix']	void	[]
traceAndDet in /src/eigen/test/skew_symmetric_matrix3.cpp:125	[]	void	[]
zero_sized_objects in /src/eigen/test/product_extra.cpp:129	['MatrixType']	void	[]
bug_854 in /src/eigen/test/eigensolver_selfadjoint.cpp:194	[]	void	[]
bug_1014 in /src/eigen/test/eigensolver_selfadjoint.cpp:201	[]	void	[]
householder in /src/eigen/test/householder.cpp:14	['MatrixType']	void	[]
jacobisvd_verify_assert in /src/eigen/test/jacobisvd.cpp:59	[]	void	[]
bdcsvd_verify_assert in /src/eigen/test/bdcsvd.cpp:75	[]	void	[]
test_reference in /src/eigen/test/nomalloc.cpp:173	['MatrixType']	void	[]
run_tests in /src/eigen/test/accelerate_support.cpp:143	[]	void	[]
qr_fixedsize in /src/eigen/test/qr_colpivoting.cpp:169	[]	void	[]
cod_fixedsize in /src/eigen/test/qr_colpivoting.cpp:80	[]	void	[]
test_basics in /src/eigen/test/commainitializer.cpp:69	[]	void	[]
cholesky_verify_assert in /src/eigen/test/cholesky.cpp:441	[]	void	[]
Camera::activateGL in /src/eigen/demos/opengl/camera.cpp:197	[]	void	[]
polynomialsolver in /src/eigen/unsupported/test/polynomialsolver.cpp:164	['int']	void	[]
alignedvector3 in /src/eigen/unsupported/test/alignedvector3.cpp:25	[]	void	[]
Eigen::SparseInverse::SparseInverse in /src/eigen/unsupported/Eigen/src/SparseExtra/SparseInverse.h:142	['SparseLU ']	void	[]
Eigen::HybridNonLinearSolver ::hybrj1 in /src/eigen/unsupported/Eigen/src/NonLinearOptimization/HybridNonLinearSolver.h:121	['FVectorType', 'Scalar']	HybridNonLinearSolverSpace::Status	[]
Eigen::HybridNonLinearSolver ::hybrd1 in /src/eigen/unsupported/Eigen/src/NonLinearOptimization/HybridNonLinearSolver.h:326	['FVectorType', 'Scalar']	HybridNonLinearSolverSpace::Status	[]
eigen3_interface::transposed_matrix_matrix_product in /src/eigen/bench/btl/libs/eigen3/eigen3_interface.hh:85	['gene_matrix', 'gene_matrix', 'gene_matrix']	void	[]
eigen3_interface::ata_product in /src/eigen/bench/btl/libs/eigen3/eigen3_interface.hh:90	['gene_matrix', 'gene_matrix']	void	[]
eigen3_interface::atv_product in /src/eigen/bench/btl/libs/eigen3/eigen3_interface.hh:166	['gene_matrix', 'gene_vector', 'gene_vector']	void	[]
eigen2_interface::transposed_matrix_matrix_product in /src/eigen/bench/btl/libs/eigen2/eigen2_interface.hh:105	['gene_matrix', 'gene_matrix', 'gene_matrix', 'int']	void	[]
eigen2_interface::ata_product in /src/eigen/bench/btl/libs/eigen2/eigen2_interface.hh:110	['gene_matrix', 'gene_matrix', 'int']	void	[]
eigen2_interface::aat_product in /src/eigen/bench/btl/libs/eigen2/eigen2_interface.hh:112	['gene_matrix', 'gene_matrix', 'int']	void	[]
eigen2_interface::atv_product in /src/eigen/bench/btl/libs/eigen2/eigen2_interface.hh:118	['gene_matrix', 'gene_vector', 'gene_vector', 'int']	void	[]
Eigen::ColPivHouseholderQR ::_solve_impl_transposed in /src/eigen/Eigen/src/QR/ColPivHouseholderQR.h:610	['RhsType', 'DstType']	void	[]
Eigen::FullPivHouseholderQR ::_solve_impl_transposed in /src/eigen/Eigen/src/QR/FullPivHouseholderQR.h:603	['RhsType', 'DstType']	void	[]
Eigen::internal::ordering_helper_at_plus_a in /src/eigen/Eigen/src/OrderingMethods/Ordering.h:28	['MatrixType', 'MatrixType']	void	[]
Eigen::MetisOrdering::get_symmetrized_graph in /src/eigen/Eigen/src/MetisSupport/MetisSupport.h:31	['MatrixType']	void	[]
&RealQZ ::compute(constMatrixType&A_in,constMatrixType&B_in,boolcomputeQZ) in /src/eigen/Eigen/src/Eigenvalues/RealQZ.h:502	['MatrixType', 'MatrixType', 'bool']	RealQZ	[]
Eigen::LDLT ::_solve_impl in /src/eigen/Eigen/src/Cholesky/LDLT.h:537	['RhsType', 'DstType']	void	[]
lines in /src/eigen/test/geo_hyperplane.cpp:87	[]	void	[]
planes in /src/eigen/test/geo_hyperplane.cpp:126	[]	void	[]
exponentialIdentity in /src/eigen/test/skew_symmetric_matrix3.cpp:144	[]	void	[]
exponentialOrthogonality in /src/eigen/test/skew_symmetric_matrix3.cpp:160	[]	void	[]
exponentialRotation in /src/eigen/test/skew_symmetric_matrix3.cpp:169	[]	void	[]
as_scalar_product in /src/eigen/test/diagonalmatrices.cpp:140	['MatrixType']	void	[]
bug987 in /src/eigen/test/diagonalmatrices.cpp:166	[]	void	[]
Eigen::internal::update in /src/eigen/Eigen/src/Cholesky/LDLT.h:445	['MatrixType', 'TranspositionType', 'Workspace', 'WType']	EIGEN_STRONG_INLINE	[]
&LDLT ::rankUpdate( constMatrixBase &w,consttypenameLDLT ::RealScalarσ) in /src/eigen/Eigen/src/Cholesky/LDLT.h:513	['MatrixBase ', 'typename LDLT ::RealScalar']	LDLT	[]
check_stdvector_matrix in /src/eigen/test/stdvector.cpp:15	['MatrixType']	void	[]
linearStructure in /src/eigen/test/linearstructure.cpp:18	['MatrixType']	void	[]
real_complex in /src/eigen/test/linearstructure.cpp:77	[]	void	[]
linearstructure_overflow in /src/eigen/test/linearstructure.cpp:114	[]	void	[]
test_spqr_scalar in /src/eigen/test/spqr_support.cpp:29	[]	void	[]
special_numbers in /src/eigen/test/special_numbers.cpp:13	[]	void	[]
test_parallelize_gemm in /src/eigen/test/product_threaded.cpp:13	[]	void	[]
array_for_matrix in /src/eigen/test/array_for_matrix.cpp:13	['MatrixType']	void	[]
comparisons in /src/eigen/test/array_cwise.cpp:654	['ArrayType']	void	[]
lpNorm in /src/eigen/test/array_for_matrix.cpp:156	['VectorType']	void	[]
cwise_min_max in /src/eigen/test/array_for_matrix.cpp:177	['MatrixType']	void	[]
nomalloc in /src/eigen/test/nomalloc.cpp:24	['MatrixType']	void	[]
Eigen::setupRandomSvs in /src/eigen/test/random_matrix_helper.h:200	['Index', 'RealScalar']	VectorType	[]
Eigen::setupRangeSvs in /src/eigen/test/random_matrix_helper.h:225	['Index', 'RealScalar', 'RealScalar']	VectorType	[]
dontalign in /src/eigen/test/dontalign.cpp:20	['MatrixType']	void	[]
syrk in /src/eigen/test/product_syrk.cpp:13	['MatrixType']	void	[]
testMatrixType in /src/eigen/unsupported/test/matrix_function.cpp:153	['MatrixType']	void	[]
nullary_internal_logic in /src/eigen/test/nullary.cpp:257	[]	void	[]
hyperplane in /src/eigen/test/geo_hyperplane.cpp:17	['HyperplaneType']	void	[]
corners in /src/eigen/test/corners.cpp:17	['MatrixType']	void	[]
corners_fixedsize in /src/eigen/test/corners.cpp:46	[]	void	[]
transformations_computed_scaling_continuity in /src/eigen/test/geo_transformations.cpp:671	[]	void	[]
data_and_stride in /src/eigen/test/block.cpp:306	['MatrixType']	void	[]
unwind_test in /src/eigen/test/block.cpp:355	[]	void	[]
check_indexed_view in /src/eigen/test/indexed_view.cpp:65	[]	void	[]
check_tutorial_examples in /src/eigen/test/indexed_view.cpp:530	[]	void	[]
alignedboxCastTests in /src/eigen/test/geo_alignedbox.cpp:416	['BoxType']	void	[]
jacobisvd_verify_inputs in /src/eigen/test/jacobisvd.cpp:74	[]	void	[]
svd_check_max_size_matrix in /src/eigen/test/svd_common.h:501	['int', 'int']	void	[]
orthomethods_2 in /src/eigen/test/geo_orthomethods.cpp:77	[]	void	[]
orthomethods in /src/eigen/test/geo_orthomethods.cpp:106	[]	void	[]
array_generic in /src/eigen/test/array_cwise.cpp:476	['ArrayType']	void	[]
min_max in /src/eigen/test/array_cwise.cpp:1042	['ArrayType']	void	[]
replicate in /src/eigen/test/array_replicate.cpp:13	['MatrixType']	void	[]
test3dRotation in /src/eigen/unsupported/test/matrix_power.cpp:54	['T']	void	[]
adolc_forward_jacobian in /src/eigen/unsupported/test/forward_adolc.cpp:86	['Func']	void	[]
sparse_extra in /src/eigen/unsupported/test/sparse_extra.cpp:53	['SparseMatrixType']	void	[]
check_marketio in /src/eigen/unsupported/test/sparse_extra.cpp:126	[]	void	[]
check_marketio_vector in /src/eigen/unsupported/test/sparse_extra.cpp:139	[]	void	[]
check_marketio_dense in /src/eigen/unsupported/test/sparse_extra.cpp:150	[]	void	[]
test_autodiff_jacobian in /src/eigen/unsupported/test/autodiff.cpp:214	[]	void	[]
realRoots_to_monicPolynomial_scalar in /src/eigen/unsupported/test/polynomialutils.cpp:48	[]	void	[]
CauchyBounds_scalar in /src/eigen/unsupported/test/polynomialutils.cpp:83	[]	void	[]
testIntersect1 in /src/eigen/unsupported/test/BVH.cpp:138	[]	void	[]
testMinimize1 in /src/eigen/unsupported/test/BVH.cpp:155	[]	void	[]
testIntersect2 in /src/eigen/unsupported/test/BVH.cpp:174	[]	void	[]
testMinimize2 in /src/eigen/unsupported/test/BVH.cpp:196	[]	void	[]
test_complex2d in /src/eigen/unsupported/test/fft_test_shared.h:205	[]	void	[]
test_nnls_random_problem in /src/eigen/unsupported/test/NNLS.cpp:56	[]	void	[]
test_nnls_handles_zero_rhs in /src/eigen/unsupported/test/NNLS.cpp:104	[]	void	[]
test_nnls_handles_Mx0_matrix in /src/eigen/unsupported/test/NNLS.cpp:127	[]	void	[]
test_nnls_handles_dependent_columns in /src/eigen/unsupported/test/NNLS.cpp:170	[]	void	[]
test_nnls_handles_wide_matrix in /src/eigen/unsupported/test/NNLS.cpp:200	[]	void	[]
test_nnls_with_half_precision in /src/eigen/unsupported/test/NNLS.cpp:305	[]	void	[]
test_nnls_special_case_solves_in_zero_iterations in /src/eigen/unsupported/test/NNLS.cpp:322	[]	void	[]
test_nnls_special_case_solves_in_n_iterations in /src/eigen/unsupported/test/NNLS.cpp:349	[]	void	[]
test_nnls_returns_NoConvergence_when_maxIterations_is_too_low in /src/eigen/unsupported/test/NNLS.cpp:373	[]	void	[]
test_nnls_default_maxIterations_is_twice_column_count in /src/eigen/unsupported/test/NNLS.cpp:394	[]	void	[]
test_nnls_does_not_allocate_during_solve in /src/eigen/unsupported/test/NNLS.cpp:404	[]	void	[]
test_nnls_repeated_calls_to_compute_and_solve in /src/eigen/unsupported/test/NNLS.cpp:417	[]	void	[]
array_special_functions in /src/eigen/unsupported/test/special_functions.cpp:38	[]	void	[]
check_global_interpolation2d in /src/eigen/unsupported/test/splines.cpp:133	[]	void	[]
check_global_interpolation_with_derivatives2d in /src/eigen/unsupported/test/splines.cpp:166	[]	void	[]
bench_svd in /src/eigen/unsupported/bench/bench_svd.cpp:33	[]	void	[]
Eigen::internal::bicgstabl in /src/eigen/unsupported/Eigen/src/IterativeSolvers/BiCGSTABL.h:47	['MatrixType', 'Rhs', 'Dest', 'Preconditioner', 'Index', 'typename Dest::RealScalar', 'Index']	bool	[]
bench_reverse in /src/eigen/bench/bench_reverse.cpp:18	['MatrixType']	void	[]
benchEigenSolver in /src/eigen/bench/benchEigenSolver.cpp:34	['MatrixType']	void	[]
benchLLT in /src/eigen/bench/benchCholesky.cpp:28	['MatrixType']	void	[]
RDNumeric::Vector::normL1 in /src/rdkit/Code/Numerics/Vector.h:182	[]	TYPE	[]
RDKit::Descriptors::createVoxelGrid in /src/rdkit/Code/GraphMol/Descriptors/DCLV.cpp:556	['int', 'std::vector ']	void	[]
test_numtraits in /src/eigen/test/bfloat16_float.cpp:162	[]	void	[]
test_roundtrip in /src/eigen/test/bfloat16_float.cpp:32	[]	void	[]
test_nextafter in /src/eigen/test/bfloat16_float.cpp:356	[]	void	[]
packetmath_test_IEEE_corner_cases in /src/eigen/test/packetmath.cpp:842	['RefFunctorT', 'FunctorT']	void	[]
is_sign_exp_unspecified in /src/eigen/test/packetmath.cpp:1501	['Scalar']	bool	[]
packetmath_complex in /src/eigen/test/packetmath.cpp:1584	[]	void	[]
test_complex_sqrt in /src/eigen/test/sycl_basic.cpp:84	['size_t', 'Input', 'Output']	void	[]
test_numeric_limits in /src/eigen/test/sycl_basic.cpp:329	['Input', 'Output']	void	[]
float_pow_test in /src/eigen/test/array_cwise.cpp:381	[]	void	[]
mixed_pow_test in /src/eigen/test/array_cwise.cpp:386	[]	void	[]
signbit_tests in /src/eigen/test/array_cwise.cpp:464	[]	void	[]
test_minmax_nan_propagation in /src/eigen/unsupported/test/cxx11_tensor_expr.cpp:453	[]	void	[]
test_isinf in /src/eigen/unsupported/test/cxx11_tensor_comparisons.cpp:135	[]	void	[]
test_isfinite in /src/eigen/unsupported/test/cxx11_tensor_comparisons.cpp:159	[]	void	[]
Eigen::internal::pndtri in /src/eigen/unsupported/Eigen/src/SpecialFunctions/SpecialFunctionsPacketMath.h:64	['Packet']	EIGEN_DECLARE_FUNCTION_ALLOWING_MULTIPLE_DEFINITIONS	[]
Eigen::internal::bottom_value in /src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorFunctors.h:173	[]	T	[]
Eigen::infinity in /src/eigen/Eigen/src/Core/NumTraits.h:212	[]	EIGEN_DEVICE_FUNC	[]
operator()(constScalar&x,constScalar&y)const in /src/eigen/Eigen/src/Core/functors/BinaryFunctors.h:319	['Scalar', 'Scalar']	Scalar	[]
custom_complex::sqrt in /src/eigen/test/CustomComplex.h:104	['CustomComplex ']	CustomComplex	[]
Eigen::internal::complex_rsqrt in /src/eigen/Eigen/src/Core/MathFunctionsImpl.h:211	['ComplexT']	EIGEN_DEVICE_FUNC	[]
EIGEN_ALWAYS_INLINEstd::complex exp(conststd::complex &x) in /src/eigen/Eigen/src/Core/MathFunctions.h:1482	['std::complex ']	EIGEN_DEVICE_FUNC	[]
EIGEN_ALWAYS_INLINEstd::complex exp2(conststd::complex &x) in /src/eigen/Eigen/src/Core/MathFunctions.h:1539	['std::complex ']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::pisinf in /src/eigen/Eigen/src/Core/GenericPacketMath.h:1009	['Packet']	EIGEN_DEVICE_FUNC	[]
patanh_float in /src/eigen/Eigen/src/Core/arch/Default/GenericPacketMathFunctions.h:1392	['Packet']	EIGEN_DEFINE_FUNCTION_ALLOWING_MULTIPLE_DEFINITIONS	[]
patanh_double in /src/eigen/Eigen/src/Core/arch/Default/GenericPacketMathFunctions.h:1421	['Packet']	EIGEN_DEFINE_FUNCTION_ALLOWING_MULTIPLE_DEFINITIONS	[]
Eigen::internal::erfc_double_large in /src/eigen/unsupported/Eigen/src/SpecialFunctions/SpecialFunctionsImpl.h:366	['T', 'T']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::pnmsub in /src/eigen/Eigen/src/Core/arch/SSE/Complex.h:496	['Packet1cd', 'Packet1cd', 'Packet1cd']	EIGEN_STRONG_INLINE	[]
Eigen::internal::EIGEN_DECLARE_CONST_FAST_Packet4i in /src/eigen/Eigen/src/Core/arch/ZVector/PacketMath.h:83	[]	void	[]
Eigen::internal::reducePacket in /src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorFunctors.h:263	['Packet', 'Packet*']	EIGEN_DEVICE_FUNC	[]
typenameT::ScalarpblueNorm(constT&v) in /src/eigen/bench/bench_norm.cpp:83	['T']	EIGEN_DONT_INLINE	[]
Eigen::packet_impl in /src/eigen/Eigen/src/Core/ProductEvaluators.h:931	['Index', 'Index', 'Index']	EIGEN_STRONG_INLINE	[]
Eigen::packet_segment_impl in /src/eigen/Eigen/src/Core/ProductEvaluators.h:950	['Index', 'Index', 'Index', 'Index', 'Index']	EIGEN_STRONG_INLINE	[]
Eigen::internal::plog2 in /src/eigen/Eigen/src/Core/GenericPacketMath.h:1125	['Packet']	EIGEN_DECLARE_FUNCTION_ALLOWING_MULTIPLE_DEFINITIONS	[]
&operator*=(constPacket2cf&b) in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:69	['Packet2cf']	EIGEN_STRONG_INLINE	[]
&operator*=(constPacket1cd&b) in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:416	['Packet1cd']	EIGEN_STRONG_INLINE	[]
&operator/=(constPacket1cd&b) in /src/eigen/Eigen/src/Core/arch/MSA/Complex.h:371	['Packet1cd']	EIGEN_STRONG_INLINE	[]
Eigen::internal::Packet4ul in /src/eigen/Eigen/src/Core/arch/AVX/PacketMath.h:725	['Packet4ul', 'Packet4ul']	EIGEN_STRONG_INLINE	[]
Eigen::internal::pldexp_fast in /src/eigen/Eigen/src/Core/arch/SSE/PacketMath.h:1809	['Packet2d', 'Packet2d']	EIGEN_STRONG_INLINE	[]
Eigen::internal::psqrt_float_common in /src/eigen/Eigen/src/Core/arch/NEON/PacketMath.h:4705	['Packet']	EIGEN_STRONG_INLINE	[]
Eigen::internal::pdiv_float_common in /src/eigen/Eigen/src/Core/arch/NEON/PacketMath.h:4729	['Packet', 'Packet']	EIGEN_STRONG_INLINE	[]
Eigen::internal::pcarg in /src/eigen/Eigen/src/Core/GenericPacketMath.h:1572	['Packet']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::all_predux in /src/eigen/Eigen/src/Core/Visitor.h:393	['Packet']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::any_predux in /src/eigen/Eigen/src/Core/Visitor.h:414	['Packet']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::initpacket in /src/eigen/Eigen/src/Core/Visitor.h:444	['Packet']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::prsqrt_float_common in /src/eigen/Eigen/src/Core/arch/NEON/PacketMath.h:4643	['Packet']	Packet	[]
Eigen::internal::pminmax_propagate_numbers in /src/eigen/Eigen/src/Core/arch/SSE/PacketMath.h:1120	['Packet', 'Packet', 'Op']	EIGEN_STRONG_INLINE	[]
Eigen::internal::pminmax_propagate_nan in /src/eigen/Eigen/src/Core/arch/SSE/PacketMath.h:1129	['Packet', 'Packet', 'Op']	EIGEN_STRONG_INLINE	[]
Eigen::internal::ploadt_partial in /src/eigen/Eigen/src/Core/GenericPacketMath.h:1398	['typename unpacket_traits ::type*', 'Index']	EIGEN_DEVICE_FUNC	[]
Eigen::TensorSycl::TensorContractionKernel::compute_tile_per_panel in /src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorContractionSycl.h:825	['cl::sycl::nd_item<1>', 'ThreadProperties ', 'TiledMemory', 'PacketReturnType*', 'bool']	EIGEN_DEVICE_FUNC	[]
Eigen::TensorSycl::TensorContractionKernel::compute_panel in /src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorContractionSycl.h:1067	['cl::sycl::nd_item<1>', 'VectorMapper', 'TensorMapper', 'OutScalar', 'OutPtr', 'EIGEN_SYCL_LOCAL_MEM_UNSET_OR_ON', 'StorageIndex', 'StorageIndex', 'StorageIndex', 'StorageIndex', 'StorageIndex', 'StorageIndex', 'StorageIndex', 'StorageIndex', 'StorageIndex', 'StorageIndex']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::run_segment in /src/eigen/Eigen/src/Core/ProductEvaluators.h:797	['Index', 'Index', 'Lhs', 'Rhs', 'Index', 'Packet', 'Index', 'Index']	void	[]
operator-(void)const in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:432	[]	EIGEN_STRONG_INLINE	[]
operator*(constPacket1cd&b)const in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:420	['Packet1cd']	EIGEN_STRONG_INLINE	[]
operator+(constPacket1cd&b)const in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:426	['Packet1cd']	EIGEN_STRONG_INLINE	[]
operator-(constPacket1cd&b)const in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:431	['Packet1cd']	EIGEN_STRONG_INLINE	[]
operator/(constPacket1cd&b)const in /src/eigen/Eigen/src/Core/arch/MSA/Complex.h:378	['Packet1cd']	EIGEN_STRONG_INLINE	[]
Eigen::internal::Packet2cd in /src/eigen/Eigen/src/Core/arch/AVX/Complex.h:444	['Packet2cd']	EIGEN_STRONG_INLINE	[]
Eigen::internal::Packet4cd in /src/eigen/Eigen/src/Core/arch/AVX512/Complex.h:455	['Packet4cd']	EIGEN_STRONG_INLINE	[]
packetmath in /src/eigen/test/packetmath.cpp:524	[]	void	[]
operator*(constPacket2cf&b)const in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:73	['Packet2cf']	EIGEN_STRONG_INLINE	[]
operator+(constPacket2cf&b)const in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:79	['Packet2cf']	EIGEN_STRONG_INLINE	[]
operator-(constPacket2cf&b)const in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:84	['Packet2cf']	EIGEN_STRONG_INLINE	[]
operator/(constPacket2cf&b)const in /src/eigen/Eigen/src/Core/arch/MSA/Complex.h:71	['Packet2cf']	EIGEN_STRONG_INLINE	[]
&operator/=(constPacket2cf&b) in /src/eigen/Eigen/src/Core/arch/MSA/Complex.h:72	['Packet2cf']	EIGEN_STRONG_INLINE	[]
Eigen::internal::pload2 in /src/eigen/Eigen/src/Core/arch/AltiVec/Complex.h:194	['std::complex ', 'std::complex ']	EIGEN_STRONG_INLINE	[]
Eigen::internal::Packet4cf in /src/eigen/Eigen/src/Core/arch/AVX/Complex.h:454	['Packet4cf']	EIGEN_STRONG_INLINE	[]
Eigen::internal::Packet1cf in /src/eigen/Eigen/src/Core/arch/NEON/Complex.h:493	['Packet1cf']	EIGEN_STRONG_INLINE	[]
Eigen::internal::Packet8cf in /src/eigen/Eigen/src/Core/arch/AVX512/Complex.h:465	['Packet8cf']	EIGEN_STRONG_INLINE	[]
psqrt_complex in /src/eigen/Eigen/src/Core/arch/Default/GenericPacketMathFunctions.h:1545	['Packet']	EIGEN_DEFINE_FUNCTION_ALLOWING_MULTIPLE_DEFINITIONS	[]
generic_pow in /src/eigen/Eigen/src/Core/arch/Default/GenericPacketMathFunctions.h:2179	['Packet', 'Packet']	EIGEN_DEFINE_FUNCTION_ALLOWING_MULTIPLE_DEFINITIONS	[]
unary_pow::handle_nonint_nonint_errors in /src/eigen/Eigen/src/Core/arch/Default/GenericPacketMathFunctions.h:2357	['Packet', 'Packet', 'ScalarExponent']	EIGEN_DEVICE_FUNC	[]
RDNumeric::Vector::largestAbsValId in /src/rdkit/Code/Numerics/Vector.h:207	[]	unsigned int	[]
RDNumeric::Vector::largestValId in /src/rdkit/Code/Numerics/Vector.h:221	[]	unsigned int	[]
RDNumeric::Vector::smallestValId in /src/rdkit/Code/Numerics/Vector.h:235	[]	unsigned int	[]
RDNumeric::Vector::dotProduct in /src/rdkit/Code/Numerics/Vector.h:249	['Vector ']	TYPE	[]
RDNumeric::Matrix::getRow in /src/rdkit/Code/Numerics/Matrix.h:117	['unsigned int', 'Vector ']	void	[]
RDNumeric::Matrix::getCol in /src/rdkit/Code/Numerics/Matrix.h:128	['unsigned int', 'Vector ']	void	[]
RDNumeric::Matrix::getData in /src/rdkit/Code/Numerics/Matrix.h:144	[]	TYPE	[]
&assign(constMatrix &other) in /src/rdkit/Code/Numerics/Matrix.h:150	['Matrix ']	Matrix	[]
&operator+=(constMatrix &other) in /src/rdkit/Code/Numerics/Matrix.h:165	['Matrix ']	Matrix	[]
&operator-=(constMatrix &other) in /src/rdkit/Code/Numerics/Matrix.h:182	['Matrix ']	Matrix	[]
&transpose(Matrix &transpose)const in /src/rdkit/Code/Numerics/Matrix.h:224	['Matrix ']	Matrix	[]
ForceFields::PyForceField::addExtraPoint in /src/rdkit/Code/ForceField/Wrap/PyForceField.h:36	['double', 'double', 'double']	int	[]
RDKit::MolToV2KMolBlockHelper in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:768	['ROMol', 'python::object', 'int']	std::string	[]
RDKit::GetV3000MolFileAtomLine in /src/rdkit/Code/GraphMol/FileParsers/MolFileWriter.cpp:742	['Atom', 'Conformer', 'boost::dynamic_bitset<>', 'unsigned int']	std::string	[]
RDKit::ResonanceMolSupplier::length in /src/rdkit/Code/GraphMol/Resonance.cpp:1763	[]	unsigned int	[]
RDKit::ResonanceMolSupplier::setProgressCallback in /src/rdkit/Code/GraphMol/Resonance.cpp:1224	['ResonanceMolSupplierCallback*']	void	[]
RDKit::ResonanceMolSupplier::next in /src/rdkit/Code/GraphMol/Resonance.cpp:1784	[]	ROMol	[]
RDKit::ResonanceMolSupplier::moveTo in /src/rdkit/Code/GraphMol/Resonance.cpp:1790	['unsigned int']	void	[]
RDKit::ResonanceMolSupplier in /src/rdkit/Code/GraphMol/Resonance.h:86	[]	class RDKIT_GRAPHMOL_EXPORT	[]
testGetMolFrags in /src/rdkit/Code/GraphMol/molopstest.cpp:5496	[]	void	[]
RDKit::RxnMolToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/MoleculeParser.cpp:71	['ROMol']	ChemicalReaction	[]
RDKit::addReactionToPNGStringHelper in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:490	['ChemicalReaction', 'python::object', 'bool', 'bool', 'bool', 'bool']	python::object	[]
RDKit::addReactionToPNGFileHelper in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:504	['ChemicalReaction', 'python::object', 'bool', 'bool', 'bool', 'bool']	python::object	[]
RDKit::addReactionMetadata in /src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp:266	['ChemicalReaction', 'std::vector >']	void	[]
RDKit::ChemicalReactionToCXRxnSmarts in /src/rdkit/Code/GraphMol/ChemReactions/ReactionWriter.cpp:157	['ChemicalReaction', 'SmilesWriteParams', 'std::uint32_t']	std::string	[]
RDKit::ChemicalReactionToCXRxnSmiles in /src/rdkit/Code/GraphMol/ChemReactions/ReactionWriter.cpp:164	['ChemicalReaction', 'SmilesWriteParams', 'std::uint32_t']	std::string	[]
RDKit::v1::RxnSmartsToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:114	['std::string']	ChemicalReaction	[]
operator""_rxnsmarts(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:391	['char*', 'size_t']	std::unique_ptr	[]
RDKit::v1::PNGStringToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:339	['std::string']	ChemicalReaction	[]
RDKit::v1::PNGFileToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:344	['std::string']	ChemicalReaction	[]
RDKit::v1::PNGStreamToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:334	['std::istream']	ChemicalReaction	[]
operator""_rxnsmiles(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:402	['char*', 'size_t']	std::unique_ptr	[]
~Tempfile() in /src/rdkit/External/YAeHMOP/EHTTools.cpp:53	[]	void	[]
RDKit::MolStandardize::LargestFragmentChooser::choose in /src/rdkit/Code/GraphMol/MolStandardize/Fragment.cpp:181	['ROMol']	ROMol	[]
RDKit::MolStandardize::FragmentValidation::validate in /src/rdkit/Code/GraphMol/MolStandardize/Validate.cpp:87	['ROMol', 'bool']	std::vector	[]
RDKit::MolStandardize::Normalizer::normalize in /src/rdkit/Code/GraphMol/MolStandardize/Normalize.cpp:156	['ROMol']	ROMol	[]
RDKit::MolHash::SplitMolecule in /src/rdkit/Code/GraphMol/MolHash/normalize.cpp:53	['RWMol*', 'std::vector ']	void	[]
RDKit::deleteSubstructs in /src/rdkit/Code/GraphMol/ChemTransforms/ChemTransforms.cpp:103	['ROMol', 'ROMol', 'bool', 'bool']	ROMol	[]
maccs_fp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:327	[]	Datum	[]
testMACCS in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2301	[]	void	[]
testGitHubIssue195 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2845	[]	void	[]
test_fingerprints in /src/rdkit/Code/MinimalLib/cffi_test.c:648	[]	void	[]
test_partial_sanitization in /src/rdkit/Code/MinimalLib/cffi_test.c:2151	[]	void	[]
JSMolBase::get_maccs_fp in /src/rdkit/Code/MinimalLib/minilib.cpp:284	[]	std::string	[]
get_maccs_fp_as_uint8array in /src/rdkit/Code/MinimalLib/jswrapper.cpp:335	['JSMolBase']	emscripten::val	[]
RDKit::MolFragmentToCXSmiles in /src/rdkit/Code/GraphMol/SmilesParse/SmilesWrite.cpp:1026	['ROMol', 'SmilesWriteParams', 'std::vector ', 'std::vector ', 'std::vector ', 'std::vector *']	std::string	[]
computeNMMolHash in /src/rdkit/Code/PgSQL/rdkit/adapter.cpp:2124	['CROMol', 'char*']	char	[]
MolHashHelper in /src/rdkit/Code/GraphMol/MolHash/Wrap/rdMolHash.cpp:20	['ROMol', 'MolHash::HashFunction', 'bool', 'unsigned']	std::string	[]
RDMolecule::GetSmiles in /src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDMolImpl.cpp:38	['char**']	NS_IMETHODIMP	[]
RDKit::pickCanonical in /src/rdkit/Code/GraphMol/MolStandardize/Tautomer.h:394	['Iterable']	ROMol	[]
RDKit::MolToText in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupUtils.cpp:140	['ROMol']	std::string	[]
RDKit::addFingerprintToRGroupData in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp:49	['RGroupData*']	void	[]
RDKit::MolToRandomSmilesHelper in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:549	['ROMol', 'unsigned int', 'unsigned int', 'bool', 'bool', 'bool', 'bool']	python::list	[]
fragmentMolHelper in /src/rdkit/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp:20	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'std::string', 'bool']	python::tuple	[]
fragmentMolHelper2 in /src/rdkit/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp:49	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'unsigned int', 'std::string', 'bool']	python::tuple	[]
fragmentMolHelper3 in /src/rdkit/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp:79	['RDKit::ROMol', 'python::object', 'unsigned int', 'unsigned int', 'bool']	python::tuple	[]
testCarboxylicAcids in /src/rdkit/Code/GraphMol/StructChecker/testStructChecker.cpp:801	[]	void	[]
RDKit::Add2DCoordsToMol in /src/rdkit/Code/GraphMol/Depictor/Basement/Depictor.cpp:35	['ROMol', 'bool']	int	[]
testEEM2 in /src/rdkit/Code/GraphMol/Descriptors/testEEM.cpp:109	[]	void	[]
testSeq in /src/rdkit/Code/GraphMol/FileParsers/testSequence.cpp:36	['char*']	void	[]
testHELM in /src/rdkit/Code/GraphMol/FileParsers/testSequence.cpp:45	['char*']	void	[]
RDKit::addMoleculeMetadata in /src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp:240	['ROMol', 'int', 'std::vector >', 'unsigned']	void	[]
testOneAtropisomersCanon in /src/rdkit/Code/GraphMol/SmilesParse/cxsmiles_test.cpp:854	['SmilesTest*']	void	[]
RDKit::canonicalizeStereoGroupsHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:907	['ROMol', 'RDKit::StereoGroupAbsOptions', 'unsigned int']	ROMol	[]
RDKit::addMolToPNGStringHelper in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:608	['ROMol', 'python::object', 'bool', 'bool', 'bool']	python::object	[]
RDKit::addMolToPNGFileHelper in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:596	['ROMol', 'python::object', 'bool', 'bool', 'bool']	python::object	[]
RDKit::GetMolFrags in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:617	['ROMol', 'bool', 'bool']	python::tuple	[]
largestFragmentOnly in /src/rdkit/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp:40	['RDKit::RascalMCES::RascalResult']	void	[]
RDKit::RascalMCES::RascalResult::trimSmallFrags in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:148	['unsigned int']	void	[]
RDKit::RascalMCES::RascalResult::applyMaxFragSep in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:386	[]	void	[]
RDKit::RascalMCES::RascalResult::getLargestFragSize in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:658	[]	unsigned int	[]
RDKit::RascalMCES::RascalResult::getNumFrags in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:616	[]	int	[]
RDKit::rascalClusterWrapper in /src/rdkit/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp:126	['python::object', 'python::object']	python::list	[]
RDKit::findMCESWrapper in /src/rdkit/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp:82	['ROMol', 'ROMol', 'python::object']	python::list	[]
RDKit::SynthonSpaceSearch::SynthonSpaceRascalSearcher::verifyHit in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.cpp:180	['ROMol']	bool	[]
testUFFBuilder1 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:208	[]	void	[]
testUFFBuilder2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:360	[]	void	[]
testSFIssue1653802 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:648	[]	void	[]
mmffValidationSuite in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:211	['int', 'char*[]']	int	[]
testMMFFAllConstraints in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:1403	[]	void	[]
testMMFFTorsionConstraints in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:1608	[]	void	[]
testMMFFCopy in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:1670	[]	void	[]
testMMFFButaneScan in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:1765	[]	void	[]
testAddConformersFromTrajectory in /src/rdkit/Code/GraphMol/Trajectory/trajectoryTest.cpp:309	[]	void	[]
RDKit::MMFFOptimizeMolecule in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:114	['ROMol']	int	[]
RDKit::MMFFGetMoleculeForceField in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:153	['ROMol', 'ForceFields::PyMMFFMolProperties*']	ForceFields::PyForceField	[]
testIssue239 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:440	[]	void	[]
testCalcEnergyPassedCoords in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:471	[]	void	[]
testCalcGrad in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:512	[]	void	[]
testSFIssue2378119 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:696	[]	void	[]
testMMFFBuilder2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:311	[]	void	[]
testMMFFBatch in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:395	[]	void	[]
testIssue242 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:569	[]	void	[]
testGithub308 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:627	[]	void	[]
runblock_mmff in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp:36	['std::vector ']	void	[]
testMMFFMultiThread3 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:994	[]	void	[]
testGithub6728 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:1072	[]	void	[]
RDKit::MMFFConfsHelper in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:52	['ROMol', 'int', 'int', 'std::string', 'double', 'bool']	python::object	[]
testMMFFMultiThread2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:956	[]	void	[]
testMMFFO3AConstraints in /src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp:196	[]	void	[]
testCrippenO3AConstraints in /src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp:244	[]	void	[]
testMMFFBuilder1 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:146	[]	void	[]
RDKit::StructureCheck::StripSmallFragments in /src/rdkit/Code/GraphMol/StructChecker/StripSmallFragments.cpp:39	['RWMol', 'bool']	bool	[]
testValidRingSystemTemplates in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:1781	[]	void	[]
RDDepict::CoordinateTemplates::setRingSystemTemplates in /src/rdkit/Code/GraphMol/Depictor/Templates.cpp:85	['std::string']	void	[]
RDDepict::CoordinateTemplates::addRingSystemTemplates in /src/rdkit/Code/GraphMol/Depictor/Templates.cpp:96	['std::string']	void	[]
RDKit::SynthonSpaceSearch::SynthonSpaceSubstructureSearcher::extraSearchSetup in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp:216	['std::vector >>']	void	[]
RDKit::SynthonSpaceSearch::Synthon::setSearchMol in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/Synthon.cpp:111	['std::unique_ptr ']	void	[]
RDKit::MolEnumerator::LinkNodeOp::initFromMol in /src/rdkit/Code/GraphMol/MolEnumerator/LinkNode.cpp:32	[]	void	[]
testFragmentation in /src/rdkit/Code/GraphMol/FileParsers/file_parsers_catch.cpp:7156	['FragTest']	void	[]
test_get_mol_frags in /src/rdkit/Code/MinimalLib/cffi_test.c:1339	[]	void	[]
JSMolBase::get_frags in /src/rdkit/Code/MinimalLib/minilib.cpp:550	['std::string']	std::pair	[]
testMolFragsWithQuery in /src/rdkit/Code/GraphMol/molopstest.cpp:5191	[]	void	[]
RDKit::splitMolByPDBResidues in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:209	['ROMol', 'python::object', 'bool']	python::dict	[]
RDKit::splitMolByPDBChainId in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:233	['ROMol', 'python::object', 'bool']	python::dict	[]
RunTests in /src/rdkit/Code/GraphMol/FileParsers/test1.cpp:5425	[]	void	[]
testAtomListLineRoundTrip in /src/rdkit/Code/GraphMol/test1.cpp:1207	[]	void	[]
RDKit::RingInfo::numRelevantCycles in /src/rdkit/Code/GraphMol/RingInfo.cpp:276	[]	unsigned int	[]
testGithubIssue8 in /src/rdkit/External/INCHI-API/test.cpp:198	[]	void	[]
testGithubIssue40 in /src/rdkit/External/INCHI-API/test.cpp:234	[]	void	[]
testGithubIssue67 in /src/rdkit/External/INCHI-API/test.cpp:254	[]	void	[]
testGithubIssue68 in /src/rdkit/External/INCHI-API/test.cpp:273	[]	void	[]
testGithubIssue437 in /src/rdkit/External/INCHI-API/test.cpp:336	[]	void	[]
testGithubIssue562 in /src/rdkit/External/INCHI-API/test.cpp:541	[]	void	[]
testGithubIssue1572 in /src/rdkit/External/INCHI-API/test.cpp:585	[]	void	[]
testGithub3645 in /src/rdkit/External/INCHI-API/test.cpp:827	[]	void	[]
testGithub6172 in /src/rdkit/External/INCHI-API/test.cpp:887	[]	void	[]
RDMolecule::GetMW in /src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDMolImpl.cpp:25	['double*']	NS_IMETHODIMP	[]
molcmp in /src/rdkit/Code/PgSQL/rdkit/adapter.cpp:552	['CROMol', 'CROMol']	int	[]
reactioncmp in /src/rdkit/Code/PgSQL/rdkit/adapter.cpp:2005	['CChemicalReaction', 'CChemicalReaction']	int	[]
RDKit::SynthonSpaceSearch::Synthon::readFromDBStream in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/Synthon.cpp:151	['std::istream', 'std::uint32_t']	void	[]
RDKit::StructureCheck::AddMWMF in /src/rdkit/Code/GraphMol/StructChecker/StripSmallFragments.cpp:28	['RWMol', 'bool']	void	[]
RDKit::Descriptors::calcExactMW in /src/rdkit/Code/GraphMol/Descriptors/MolDescriptors.cpp:39	['ROMol', 'bool']	double	[]
mol_formula in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:340	[]	Datum	[]
RDKit::Descriptors::calcMolFormula in /src/rdkit/Code/GraphMol/Descriptors/MolDescriptors.cpp:44	['ROMol', 'bool', 'bool']	std::string	[]
RDKit::Chirality::assignLegacyCIPLabels in /src/rdkit/Code/GraphMol/Chirality.cpp:1961	['ROMol', 'bool']	void	[]
testAssignStereochemistryFrom3D in /src/rdkit/Code/GraphMol/testChirality.cpp:2667	[]	void	[]
RDKit::determineBonds in /src/rdkit/Code/GraphMol/DetermineBonds/DetermineBonds.cpp:495	['RWMol', 'bool', 'int', 'double', 'bool', 'bool', 'bool', 'bool', 'size_t']	void	[]
test9 in /src/rdkit/Code/GraphMol/Substruct/test1.cpp:540	[]	void	[]
testChiralityAndRemoveHs in /src/rdkit/Code/GraphMol/molopstest.cpp:2764	[]	void	[]
testSFIssue1894348 in /src/rdkit/Code/GraphMol/molopstest.cpp:2939	[]	void	[]
testSFNetIssue2951221 in /src/rdkit/Code/GraphMol/molopstest.cpp:3701	[]	void	[]
testGithubIssue717 in /src/rdkit/Code/GraphMol/molopstest.cpp:6457	[]	void	[]
testGithubIssue754 in /src/rdkit/Code/GraphMol/molopstest.cpp:6762	[]	void	[]
testGithubIssue1021 in /src/rdkit/Code/GraphMol/molopstest.cpp:7313	[]	void	[]
testGithub1614 in /src/rdkit/Code/GraphMol/molopstest.cpp:7688	[]	void	[]
testRemoveAndTrackIsotopes in /src/rdkit/Code/GraphMol/molopstest.cpp:8021	[]	void	[]
testMol1 in /src/rdkit/Code/GraphMol/testChirality.cpp:33	[]	void	[]
testRoundTrip in /src/rdkit/Code/GraphMol/testChirality.cpp:121	[]	void	[]
testMol2 in /src/rdkit/Code/GraphMol/testChirality.cpp:268	[]	void	[]
testSmiles1 in /src/rdkit/Code/GraphMol/testChirality.cpp:336	[]	void	[]
testChiralityCleanup in /src/rdkit/Code/GraphMol/testChirality.cpp:727	[]	void	[]
testChiralityFrom3D in /src/rdkit/Code/GraphMol/testChirality.cpp:1100	[]	void	[]
testIssue2705543 in /src/rdkit/Code/GraphMol/testChirality.cpp:1715	[]	void	[]
testIssue2762917 in /src/rdkit/Code/GraphMol/testChirality.cpp:1870	[]	void	[]
testIssue3009911 in /src/rdkit/Code/GraphMol/testChirality.cpp:2007	[]	void	[]
testFindChiralAtoms in /src/rdkit/Code/GraphMol/testChirality.cpp:2168	[]	void	[]
testGithub87 in /src/rdkit/Code/GraphMol/testChirality.cpp:2292	[]	void	[]
testGithub90 in /src/rdkit/Code/GraphMol/testChirality.cpp:2332	[]	void	[]
testGithub553 in /src/rdkit/Code/GraphMol/testChirality.cpp:2395	[]	void	[]
testGithub803 in /src/rdkit/Code/GraphMol/testChirality.cpp:2452	[]	void	[]
testDoubleBondStereoInRings in /src/rdkit/Code/GraphMol/testChirality.cpp:2703	[]	void	[]
testGithub4494 in /src/rdkit/Code/GraphMol/testChirality.cpp:3136	[]	void	[]
testSMILES in /src/rdkit/Code/GraphMol/memtest1.cpp:38	[]	void	[]
testBondDirRemoval in /src/rdkit/Code/GraphMol/testChirality.cpp:1653	[]	void	[]
RDKit::molToSmarts in /src/rdkit/Code/GraphMol/SmilesParse/SmartsWrite.cpp:827	['ROMol', 'SmilesWriteParams', 'std::vector ', 'boost::dynamic_bitset<>*']	std::string	[]
RDKit::v2::MarvinParser::MarvinCMLReader::parseReaction in /src/rdkit/Code/GraphMol/MarvinParse/MarvinParser.cpp:92	['boost::property_tree::ptree', 'boost::property_tree::ptree']	std::unique_ptr	[]
RDKit::EnumerateStereoisomers::StereoisomerEnumerator::next in /src/rdkit/Code/GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.cpp:69	[]	std::unique_ptr	[]
test12DoubleBondStereochem in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:1276	[]	void	[]
test17Issue1920627 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:1712	[]	void	[]
test19Issue2050085 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2113	[]	void	[]
test54RedundantProductMappingNumbersAndRSChirality in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:5094	[]	void	[]
test55RedundantProductMappingNumbersAndEZStereochemistry in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:5376	[]	void	[]
RDKit::MolStandardize::Operations::prepareForValidation in /src/rdkit/Code/GraphMol/MolStandardize/Pipeline.cpp:149	['RWMOL_SPTR', 'PipelineResult']	RWMOL_SPTR	[]
RDKit::MolStandardize::Operations::standardize in /src/rdkit/Code/GraphMol/MolStandardize/Pipeline.cpp:283	['RWMOL_SPTR', 'PipelineResult', 'PipelineOptions']	RWMOL_SPTR	[]
testMetalDisconnectorLigandExpo in /src/rdkit/Code/GraphMol/MolStandardize/test1.cpp:625	[]	void	[]
RDKit::MolStandardize::TautomerEnumerator::enumerate in /src/rdkit/Code/GraphMol/MolStandardize/Tautomer.cpp:247	['ROMol']	TautomerEnumeratorResult	[]
RDKit::MolStandardize::TautomerEnumerator::canonicalize in /src/rdkit/Code/GraphMol/MolStandardize/Tautomer.cpp:567	['ROMol', 'boost::function ']	ROMol	[]
RDKit::MolStandardize::TautomerEnumerator::canonicalizeInPlace in /src/rdkit/Code/GraphMol/MolStandardize/Tautomer.cpp:580	['RWMol', 'boost::function ']	void	[]
atompair_fp in /src/rdkit/Code/PgSQL/rdkit/sfp_op.c:302	[]	Datum	[]
blobToAtomPairFingerprint in /src/rdkit/Code/Demos/sqlite/rdk_funcs.cpp:251	['sqlite3_context', 'int', 'sqlite3_value*']	void	[]
testAtomPairOld in /src/rdkit/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp:163	[]	void	[]
testRootedAtomPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1622	[]	void	[]
testIgnoreAtomPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1654	[]	void	[]
testChiralPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2434	[]	void	[]
testPairsAndTorsionsOptions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2039	[]	void	[]
testGitHubIssue25 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2642	[]	void	[]
testGitHubIssue334 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:3051	[]	void	[]
testAtomPairFPDifference in /src/rdkit/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp:2427	[]	void	[]
testAtomPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1386	[]	void	[]
testAtomPairs2 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1439	[]	void	[]
testGitHubIssue1993 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:3541	[]	void	[]
GetAtomPairFingerprint in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:213	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'python::object', 'bool', 'bool', 'int']	RDKit::SparseIntVect	[]
atompairbv_fp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:291	[]	Datum	[]
GetHashedAtomPairFingerprintAsBitVect in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:312	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'python::object', 'unsigned int', 'bool', 'bool', 'int']	ExplicitBitVect	[]
testHashedAtomPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1463	[]	void	[]
test3DAtomPairs in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2781	[]	void	[]
GetHashedAtomPairFingerprint in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:231	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'python::object', 'bool', 'bool', 'int']	RDKit::SparseIntVect	[]
testTopologicalTorsionFPOld in /src/rdkit/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp:1574	[]	void	[]
testTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1510	[]	void	[]
testBulkTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1604	[]	void	[]
testRootedTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1729	[]	void	[]
testIgnoreTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1761	[]	void	[]
testChiralTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2537	[]	void	[]
testGitHubIssue811 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:3216	[]	void	[]
GetTopologicalTorsionFingerprint in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:250	['RDKit::ROMol', 'unsigned int', 'python::object', 'python::object', 'python::object', 'bool']	RDKit::SparseIntVect	[]
torsion_fp in /src/rdkit/Code/PgSQL/rdkit/sfp_op.c:319	[]	Datum	[]
testHashedTorsions in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:1555	[]	void	[]
GetHashedTopologicalTorsionFingerprint in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:275	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'python::object', 'bool']	RDKit::SparseIntVect	[]
torsionbv_fp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:309	[]	Datum	[]
GetHashedTopologicalTorsionFingerprintAsBitVect in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:293	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'python::object', 'unsigned int', 'bool']	ExplicitBitVect	[]
RDKit::FingerprintGenerator ::getSparseCountFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp:554	['std::vector ', 'int']	std::vector >>	[]
RDKit::FingerprintGenerator ::getSparseFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp:532	['std::vector ', 'int']	std::vector >	[]
RDKit::FingerprintGenerator ::getCountFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp:543	['std::vector ', 'int']	std::vector >>	[]
RDKit::FingerprintGenerator ::getFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp:521	['std::vector ', 'int']	std::vector >	[]
testStereochem in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:336	[]	void	[]
testIssue153 in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:984	[]	void	[]
testIssue157 in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:1057	[]	void	[]
testBug1844617 in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:1911	[]	void	[]
testBug1844959 in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:2016	[]	void	[]
testGithub608 in /src/rdkit/Code/GraphMol/test1.cpp:1318	[]	void	[]
testGithub6370 in /src/rdkit/Code/GraphMol/test1.cpp:1699	[]	void	[]
RDMIF::HBond::HBond in /src/rdkit/Code/GraphMol/MolInteractionFields/MIFDescriptors.cpp:614	['RDKit::ROMol', 'int', 'std::string', 'bool', 'double']	void	[]
testIssue256 in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:1563	[]	void	[]
fmcs_smiles in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:503	[]	Datum	[]
RDKitImpl::MolFromSmiles in /src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDKitImpl.cpp:25	['char', 'IRDMolecule*']	NS_IMETHODIMP	[]
smilesToBlob in /src/rdkit/Code/Demos/sqlite/rdk_funcs.cpp:146	['sqlite3_context', 'int', 'sqlite3_value*']	void	[]
test10 in /src/rdkit/Code/GraphMol/SLNParse/test.cpp:1188	[]	void	[]
test12 in /src/rdkit/Code/GraphMol/SLNParse/test.cpp:1268	[]	void	[]
testIssue277 in /src/rdkit/Code/GraphMol/SLNParse/test.cpp:1712	[]	void	[]
RDKitSV::RDKitSVMainWindow::RDKitSVMainWindow in /src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/RDKitSVMainWindow.cc:51	['int', 'char**']	void	[]
RDKitSV::RDKitSVMainWindow::slot_read_mols in /src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/RDKitSVMainWindow.cc:484	[]	void	[]
operator""_smiles(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/SmilesParse/SmilesParse.h:237	['char*', 'size_t']	std::unique_ptr	[]
testKappa2 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:1390	[]	void	[]
testKappa3 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:1443	[]	void	[]
RDKit::v2::FileParsers::TDTMolSupplier::next in /src/rdkit/Code/GraphMol/FileParsers/TDTMolSupplier.cpp:263	[]	std::unique_ptr	[]
mol_to_ctab in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:208	[]	Datum	[]
mol_to_v3kctab in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:227	[]	Datum	[]
RDKitDraw::paintEvent in /src/rdkit/Code/Demos/RDKit/Draw/qtDemo/qtdraw_demo.cc:42	['QPaintEvent*']	void	[]
DepictDemo in /src/rdkit/Code/Demos/RDKit/GettingStarted/sample.cpp:191	[]	void	[]
test28RxnDepictor in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2887	[]	void	[]
RDKit::Compute2DCoordsForReaction in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:266	['RDKit::ChemicalReaction']	void	[]
MolGetSVG in /src/rdkit/Code/PgSQL/rdkit/adapter.cpp:855	['CROMol', 'unsigned int', 'unsigned int', 'char', 'char']	char	[]
RDKit::prepareAndDrawMoleculeHelper in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:267	['MolDraw2D', 'ROMol', 'std::string', 'python::object', 'python::object', 'python::object', 'python::object', 'python::object', 'int', 'bool']	void	[]
RDKit::MinimalLib::DrawerFromDetails::draw_mol in /src/rdkit/Code/MinimalLib/common_defs.h:81	['ROMol']	std::string	[]
draw_to_canvas in /src/rdkit/Code/MinimalLib/jswrapper.cpp:83	['JSMolBase', 'emscripten::val', 'int', 'int']	std::string	[]
RDKit::MolDraw2D::drawReaction in /src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2D.cpp:280	['ChemicalReaction', 'bool', 'std::vector ', 'std::vector ']	void	[]
RDKit::MolDraw2D_detail::DrawMol::initDrawMolecule in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:172	['ROMol']	void	[]
test8PrepareMolForDrawing in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1255	[]	void	[]
testGithub852 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1658	[]	void	[]
testGithub860 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1774	[]	void	[]
testGithub910 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1856	[]	void	[]
testGithub932 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1902	[]	void	[]
testGithub953 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1922	[]	void	[]
testGithub983 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1942	[]	void	[]
testCrossedBonds in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2258	[]	void	[]
test10DrawSecondMol in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2278	[]	void	[]
test11DrawMolGrid in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2429	[]	void	[]
test13JSONConfig in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2595	[]	void	[]
testGithub1090 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2660	[]	void	[]
testGithub1035 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2692	[]	void	[]
testGithub1271 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2742	[]	void	[]
testGithub1322 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2874	[]	void	[]
test14BWPalette in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2951	[]	void	[]
test16MoleculeMetadata in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3076	[]	void	[]
testGithub2063 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3485	[]	void	[]
testGithub2151 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3560	[]	void	[]
testGithub2762 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3604	[]	void	[]
testGithub3112 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3845	[]	void	[]
test23JSONAtomColourPalette in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:4584	[]	void	[]
testGithub4496 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:4621	[]	void	[]
RDKit::prepMolForDrawing in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:430	['ROMol*', 'bool', 'bool', 'bool', 'bool', 'bool']	ROMol	[]
test_io in /src/rdkit/Code/MinimalLib/cffi_test.c:198	[]	void	[]
test_modifications in /src/rdkit/Code/MinimalLib/cffi_test.c:762	[]	void	[]
test_coords in /src/rdkit/Code/MinimalLib/cffi_test.c:873	[]	void	[]
test_wedging_all_within_scaffold in /src/rdkit/Code/MinimalLib/cffi_test.c:1545	[]	void	[]
test_wedging_outside_scaffold in /src/rdkit/Code/MinimalLib/cffi_test.c:1685	[]	void	[]
test_wedging_if_no_match in /src/rdkit/Code/MinimalLib/cffi_test.c:1816	[]	void	[]
test_get_molblock_use_molblock_wedging in /src/rdkit/Code/MinimalLib/cffi_test.c:2920	[]	void	[]
test_get_mol_remove_hs in /src/rdkit/Code/MinimalLib/cffi_test.c:3119	[]	void	[]
JSMolBase::get_molblock in /src/rdkit/Code/MinimalLib/minilib.cpp:154	['std::string']	std::string	[]
JSMolBase::get_v3Kmolblock in /src/rdkit/Code/MinimalLib/minilib.cpp:157	['std::string']	std::string	[]
RDKit::molToACS1996SVG in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:710	['ROMol', 'std::string', 'python::object', 'python::object', 'python::object', 'python::object', 'python::object', 'int']	std::string	[]
testGithub781 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1383	[]	void	[]
testGithub774 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1562	[]	void	[]
test9MolLegends in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1638	[]	void	[]
testDeuteriumTritium in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2073	[]	void	[]
testGithub2931 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:3636	[]	void	[]
test21FontFile in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:4134	[]	void	[]
test22ExplicitMethyl in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:4174	[]	void	[]
testGithub3305 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:4208	[]	void	[]
RDKit::MolDisplay2DWidget::set_display_mol in /src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/MolDisplay2DWidget.cc:38	['ROMOL_SPTR']	void	[]
testAddHs in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:182	[]	void	[]
testRemoveHsCrash in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:444	[]	void	[]
testIssue2091304 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:456	[]	void	[]
testGitHubIssue910 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:784	[]	void	[]
testGitHubIssue1073 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:817	[]	void	[]
testConstrainedCoords in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:836	[]	void	[]
testGitHubIssue1112 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:873	[]	void	[]
testGitHubIssue1286 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:894	[]	void	[]
testGithub1691 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:965	[]	void	[]
testGithub2027 in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:1039	[]	void	[]
RDDepict::GenerateDepictionMatching3DStructure in /src/rdkit/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp:174	['RDKit::ROMol', 'RDKit::ROMol', 'int', 'python::object', 'bool']	void	[]
RDDepict::Compute2DCoords in /src/rdkit/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp:33	['RDKit::ROMol', 'bool', 'bool', 'python::dict']	unsigned int	[]
testCisTrans in /src/rdkit/Code/GraphMol/FileParsers/testMolSupplier.cpp:1014	[]	void	[]
testStereoRound in /src/rdkit/Code/GraphMol/FileParsers/testMolSupplier.cpp:1054	[]	void	[]
RDKit::_MolToMaeCtBlock in /src/rdkit/Code/GraphMol/FileParsers/MaeWriter.cpp:492	['ROMol', 'int', 'STR_VECT']	std::shared_ptr	[]
JSMolBase::set_new_coords in /src/rdkit/Code/MinimalLib/minilib.cpp:392	['bool']	bool	[]
JSMolBase::get_new_coords in /src/rdkit/Code/MinimalLib/minilib.cpp:405	['bool']	std::string	[]
RDDepict::Compute2DCoordsMimicDistmat in /src/rdkit/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp:65	['RDKit::ROMol', 'python::object', 'bool', 'bool', 'double', 'unsigned int', 'unsigned int', 'int', 'bool']	unsigned int	[]
RDKit::Descriptors::numAtomStereoCenters in /src/rdkit/Code/GraphMol/Descriptors/Lipinski.cpp:510	['ROMol']	unsigned int	[]
RDKit::Descriptors::numUnspecifiedAtomStereoCenters in /src/rdkit/Code/GraphMol/Descriptors/Lipinski.cpp:532	['ROMol']	unsigned int	[]
testIssue3525000 in /src/rdkit/Code/GraphMol/FileParsers/testMolWriter.cpp:550	[]	void	[]
RDKit::v2::FileParsers::build_mol in /src/rdkit/Code/GraphMol/FileParsers/MaeMolSupplier.cpp:452	['RWMol', 'mae::Block', 'bool', 'bool']	void	[]
RDKit::ParseV3000RxnBlock in /src/rdkit/Code/GraphMol/ChemReactions/MDLParser.cpp:177	['std::istream', 'unsigned int', 'MolFileParserParams', 'std::unique_ptr ']	void	[]
RDKit::v2::FileParsers::MolFromSCSRBlock in /src/rdkit/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp:1303	['std::string', 'MolFileParserParams', 'MolFromSCSRParams']	std::unique_ptr	[]
RDKit::MolFromSCSRFile in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:200	['std::string', 'bool', 'bool', 'python::object']	RDKit::ROMol	[]
RDKit::MolFromSCSRBlock in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:174	['std::string', 'bool', 'bool', 'python::object']	RDKit::ROMol	[]
RDKit::v2::FileParsers::MolFromSCSRMolConverter::convert in /src/rdkit/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp:770	[]	std::unique_ptr	[]
RDKit::MolStandardize::Operations::parse in /src/rdkit/Code/GraphMol/MolStandardize/Pipeline.cpp:95	['std::string', 'PipelineResult', 'PipelineOptions']	RWMOL_SPTR	[]
testMolFileGithub8265 in /src/rdkit/Code/GraphMol/FileParsers/testMolWriter.cpp:1633	[]	void	[]
RDKit::v1::MolBlockToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:157	['std::string']	RWMol	[]
operator""_ctab(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:492	['char*', 'size_t']	std::unique_ptr	[]
testPBFEdges in /src/rdkit/Code/GraphMol/Descriptors/testPBF.cpp:56	[]	void	[]
RDKit::v2::FileParsers::MultithreadedSDMolSupplier::processMoleculeRecord in /src/rdkit/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.cpp:246	['std::string', 'unsigned int']	RWMol	[]
RDKit::v1::Mol2BlockToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:355	['std::string']	RWMol	[]
operator""_mol2(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:501	['char*', 'size_t']	std::unique_ptr	[]
RDKit::v1::Mol2FileToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:303	['std::string']	RWMol	[]
testIssue114 in /src/rdkit/Code/GraphMol/FileParsers/testMol2ToMol.cpp:312	['std::string']	void	[]
JSMolBase::remove_hs_in_place in /src/rdkit/Code/MinimalLib/minilib.cpp:462	['std::string']	bool	[]
JSMolBase::get_stereo_tags in /src/rdkit/Code/MinimalLib/minilib.cpp:310	[]	std::string	[]
JSMolBase::add_hs_in_place in /src/rdkit/Code/MinimalLib/minilib.cpp:478	[]	bool	[]
testPotentialStereoBonds in /src/rdkit/Code/GraphMol/molopstest.cpp:6492	[]	void	[]
testSetBondStereo in /src/rdkit/Code/GraphMol/molopstest.cpp:6623	[]	void	[]
testIssue188 in /src/rdkit/Code/GraphMol/molopstest.cpp:1639	[]	void	[]
RDKit::AtomElectrons::assignFormalCharge in /src/rdkit/Code/GraphMol/Resonance.cpp:212	[]	void	[]
RDKit::AtomElectrons::initTvNbFcFromAtom in /src/rdkit/Code/GraphMol/Resonance.cpp:322	[]	void	[]
RDKit::AtomElectrons::findAllowedBonds in /src/rdkit/Code/GraphMol/Resonance.cpp:328	['unsigned int']	std::uint8_t	[]
RDKit::AtomElectrons::finalizeAtom in /src/rdkit/Code/GraphMol/Resonance.cpp:450	[]	void	[]
testGithub336 in /src/rdkit/External/AvalonTools/test1.cpp:322	[]	void	[]
mol_in in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:45	[]	Datum	[]
mol_from_smarts in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:157	[]	Datum	[]
mol_from_smiles in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:174	[]	Datum	[]
qmol_from_smiles in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:191	[]	Datum	[]
qmol_in in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:382	[]	Datum	[]
mol_from_ctab in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:112	[]	Datum	[]
qmol_from_ctab in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:135	[]	Datum	[]
is_valid_smiles in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:70	[]	Datum	[]
is_valid_ctab in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:84	[]	Datum	[]
testSFNetIssue2196817 in /src/rdkit/Code/GraphMol/molopstest.cpp:3353	[]	void	[]
testSimpleAromaticity in /src/rdkit/Code/GraphMol/molopstest.cpp:6923	[]	void	[]
testMMFFAromaticity in /src/rdkit/Code/GraphMol/molopstest.cpp:6999	[]	void	[]
testCustomAromaticity in /src/rdkit/Code/GraphMol/molopstest.cpp:7049	[]	void	[]
testGithubIssue1730 in /src/rdkit/Code/GraphMol/molopstest.cpp:7080	[]	void	[]
testGithub1622 in /src/rdkit/Code/GraphMol/molopstest.cpp:7536	[]	void	[]
testGithubIssue3 in /src/rdkit/External/INCHI-API/test.cpp:163	[]	void	[]
mol_murckoscaffold in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:400	[]	Datum	[]
BuildSimpleMolecule in /src/rdkit/Code/Demos/RDKit/GettingStarted/sample.cpp:33	[]	void	[]
CleanupMolecule in /src/rdkit/Code/Demos/RDKit/GettingStarted/sample.cpp:205	[]	void	[]
runMolFile in /src/rdkit/Code/Demos/RDKit/Basement/Minimize/MinimizeCLI.cpp:50	['std::string']	void	[]
runSDFile in /src/rdkit/Code/Demos/RDKit/Basement/Minimize/MinimizeCLI.cpp:63	['std::string']	void	[]
testSFIssue1836576 in /src/rdkit/Code/GraphMol/molopstest.cpp:2732	[]	void	[]
testAromaticityEdges in /src/rdkit/Code/GraphMol/molopstest.cpp:2985	[]	void	[]
testSFNetIssue2313979 in /src/rdkit/Code/GraphMol/molopstest.cpp:3618	[]	void	[]
testSanitizeNonringAromatics in /src/rdkit/Code/GraphMol/molopstest.cpp:3664	[]	void	[]
testSFNetIssue3525076 in /src/rdkit/Code/GraphMol/molopstest.cpp:4141	[]	void	[]
testSFNetIssue249 in /src/rdkit/Code/GraphMol/molopstest.cpp:4677	[]	void	[]
testGithub1605 in /src/rdkit/Code/GraphMol/molopstest.cpp:7515	[]	void	[]
testGithub1703 in /src/rdkit/Code/GraphMol/molopstest.cpp:7659	[]	void	[]
testGithub1810 in /src/rdkit/Code/GraphMol/molopstest.cpp:7896	[]	void	[]
testIsRingFused in /src/rdkit/Code/GraphMol/molopstest.cpp:8590	[]	void	[]
mol_adjust_query_properties in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:435	[]	Datum	[]
testAdjustQueryProperties in /src/rdkit/Code/GraphMol/molopstest.cpp:5768	[]	void	[]
RDKit::Abbreviations::Utils::parseLinkers in /src/rdkit/Code/GraphMol/Abbreviations/Abbreviations.h:95	['std::string']	std::vector	[]
JSMolBase::condense_abbreviations in /src/rdkit/Code/MinimalLib/minilib.cpp:485	['double', 'bool']	std::string	[]
JSMolBase::condense_abbreviations_from_defs in /src/rdkit/Code/MinimalLib/minilib.cpp:497	['std::string', 'double', 'bool']	std::string	[]
mol_to_xqmol in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:475	[]	Datum	[]
RDKit::adjustQueryPropertiesHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:880	['ROMol', 'python::object']	ROMol	[]
testGenericQueries in /src/rdkit/Code/GraphMol/GenericGroups/generic_tests.cpp:836	[]	void	[]
RDDepict::prepareTemplateForRGroups in /src/rdkit/Code/GraphMol/Depictor/DepictUtils.cpp:542	['RDKit::RWMol']	std::unique_ptr	[]
test7a in /src/rdkit/Code/GraphMol/hanoitest.cpp:971	[]	void	[]
RDKit::ResonanceMolSupplier::assignBondsFormalCharges in /src/rdkit/Code/GraphMol/Resonance.cpp:1831	['std::vector ']	ROMol	[]
TestAssignChiralTypesFromMolParity::TestAssignChiralTypesFromMolParity in /src/rdkit/Code/GraphMol/testChirality.cpp:2800	['ROMol']	void	[]
testIssue164 in /src/rdkit/Code/GraphMol/testPickler.cpp:150	[]	void	[]
MolOps::Hybridizations::Hybridizations(constROMol&mol) in /src/rdkit/Code/GraphMol/MolOps.cpp:459	['ROMol']	void	[]
testMisc in /src/rdkit/Code/GraphMol/test1.cpp:431	[]	void	[]
testDegree in /src/rdkit/Code/GraphMol/test1.cpp:513	[]	void	[]
testIssue2381580 in /src/rdkit/Code/GraphMol/test1.cpp:624	[]	void	[]
testIssue2840217 in /src/rdkit/Code/GraphMol/test1.cpp:761	[]	void	[]
testGithub1843 in /src/rdkit/Code/GraphMol/test1.cpp:1592	[]	void	[]
testMol in /src/rdkit/Code/GraphMol/memtest1.cpp:69	[]	void	[]
RDKit::RxnOps::sanitizeRxnAsMols in /src/rdkit/Code/GraphMol/ChemReactions/SanitizeRxn.cpp:415	['ChemicalReaction', 'unsigned int']	void	[]
test4MultipleProducts in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:351	[]	void	[]
test15Issue1882749 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:1484	[]	void	[]
test20BondQueriesInProduct in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2155	[]	void	[]
test21Issue2540021 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2245	[]	void	[]
test22DotsToRemoveBonds in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2319	[]	void	[]
test23Pickling in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2366	[]	void	[]
test41Github233 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:3999	[]	void	[]
test49ParensInProducts2 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:4759	[]	void	[]
testDblBondCrash in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:7317	[]	void	[]
RDKit::removeNonmatchingReagents in /src/rdkit/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp:114	['ChemicalReaction', 'BBS', 'EnumerationParams']	BBS	[]
testChargedAromatics in /src/rdkit/Code/GraphMol/MolStandardize/testCharge.cpp:221	[]	void	[]
RDKit::MolStandardize::Operations::prepareForStandardization in /src/rdkit/Code/GraphMol/MolStandardize/Pipeline.cpp:268	['RWMOL_SPTR', 'PipelineResult']	RWMOL_SPTR	[]
RDKit::MolStandardize::Normalizer::normalizeInPlace in /src/rdkit/Code/GraphMol/MolStandardize/Normalize.cpp:96	['RWMol']	void	[]
testEnumerateTautomerSmiles in /src/rdkit/Code/GraphMol/MolStandardize/test1.cpp:614	[]	void	[]
testMetalDisconnector in /src/rdkit/Code/GraphMol/MolStandardize/test1.cpp:113	[]	void	[]
testMurckoDecomp in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1062	[]	void	[]
RDKit::RCore::extractCoreFromMolMatch in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupCore.cpp:67	['ROMol', 'MatchVectType', 'RGroupDecompositionParameters']	RWMOL_SPTR	[]
testForceTransAmides in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:2270	[]	void	[]
inorganicSanitize in /src/rdkit/Code/GraphMol/SmilesParse/nontetrahedral_tests.cpp:27	['RDKit::RWMol']	void	[]
RDKit::sanitizeMol in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:403	['ROMol', 'boost::uint64_t', 'bool']	MolOps::SanitizeFlags	[]
RDKit::RascalMCES::RascalResult::getMcesMol in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:678	[]	std::shared_ptr	[]
testUFFBatch in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:575	[]	void	[]
testUFFBuilderSpecialCases in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:623	[]	void	[]
RDKit::SanitizeMMFFMol in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:133	['ROMol']	unsigned int	[]
RDKit::ScaffoldNetwork::createScaffoldNetwork in /src/rdkit/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h:140	['T', 'ScaffoldNetworkParams']	ScaffoldNetwork	[]
testGitHubIssue92 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:1655	[]	void	[]
RDKit::SynthonSpaceSearch::SynthonSet::enumerateToStream in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp:192	['std::ostream']	void	[]
RDKit::SynthonSpaceSearch::SynthonSet::buildAddAndSubtractFPs in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp:444	['FingerprintGenerator ', 'unsigned int']	void	[]
RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::buildAndVerifyHit in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp:84	['SynthonSpaceHitSet*', 'std::vector ']	std::unique_ptr	[]
RDKit::SynthonSpaceSearch::buildSampleMolecules in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp:221	['std::vector >>', 'size_t', 'SynthonSet']	std::vector >	[]
testSDMemoryCorruption in /src/rdkit/Code/GraphMol/FileParsers/testMolWriter.cpp:496	[]	void	[]
MolAtropTest::RunTests in /src/rdkit/Code/GraphMol/FileParsers/testAtropisomers.cpp:336	[]	void	[]
RDKit::v1::TPLDataStreamToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:224	['std::istream*', 'unsigned int']	RWMol	[]
RDKit::v1::TPLFileToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:248	['std::string']	RWMol	[]
RDKit::parsePdbBlock in /src/rdkit/Code/GraphMol/FileParsers/PDBParser.cpp:549	['char*', 'bool', 'bool', 'unsigned int', 'bool']	std::unique_ptr	[]
RDKit::DeprotectWrap in /src/rdkit/Code/GraphMol/Deprotect/Wrap/DeprotectWrap.cpp:18	['ROMol', 'python::object']	boost::shared_ptr	[]
RDKit::DeprotectInPlaceWrap in /src/rdkit/Code/GraphMol/Deprotect/Wrap/DeprotectWrap.cpp:29	['ROMol', 'python::object']	bool	[]
RDKit::setAromaticityMol in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:451	['ROMol', 'MolOps::AromaticityModel']	void	[]
JSMolBase::convert_to_aromatic_form in /src/rdkit/Code/MinimalLib/minilib.cpp:364	[]	void	[]
JSMolBase::get_aromatic_form in /src/rdkit/Code/MinimalLib/minilib.cpp:369	[]	std::string	[]
RDKit::markConjAtomBonds in /src/rdkit/Code/GraphMol/ConjugHybrid.cpp:46	['Atom*']	void	[]
RDKit::calculateImplicitValence in /src/rdkit/Code/GraphMol/Atom.cpp:457	['Atom', 'bool', 'bool']	int	[]
&operator<<(std::ostream⌖,constRDKit::Atom&at) in /src/rdkit/Code/GraphMol/Atom.cpp:1004	['std::ostream', 'RDKit::Atom']	std::ostream	[]
RDKit::Atom::getMass in /src/rdkit/Code/GraphMol/Atom.cpp:640	[]	double	[]
RDKit::Atom::hasValenceViolation in /src/rdkit/Code/GraphMol/Atom.cpp:653	[]	bool	[]
RDKit::cleanUpOrganometallicsMol in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:446	['ROMol']	void	[]
RDKit::assignRadicalsMol in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:461	['ROMol']	void	[]
RDKit::kekulizeFused in /src/rdkit/Code/GraphMol/Kekulize.cpp:460	['RWMol', 'VECT_INT_VECT', 'unsigned int']	void	[]
testPeriodicTable in /src/rdkit/Code/GraphMol/test1.cpp:957	[]	void	[]
RDKit::MolOps::molRemoveH in /src/rdkit/Code/GraphMol/AddHs.cpp:696	['RWMol', 'unsigned int', 'bool']	void	[]
disconnectOrganometallicsInPlaceHelper in /src/rdkit/Code/GraphMol/MolStandardize/Wrap/rdMolStandardize.cpp:367	['RDKit::ROMol*', 'python::object']	void	[]
testOrganometallics in /src/rdkit/Code/GraphMol/MolStandardize/test1.cpp:1464	[]	void	[]
disconnectOrganometallicsHelper in /src/rdkit/Code/GraphMol/MolStandardize/Wrap/rdMolStandardize.cpp:356	['RDKit::ROMol', 'python::object']	RDKit::ROMol	[]
RDKit::MolStandardize::IsotopeValidation::validate in /src/rdkit/Code/GraphMol/MolStandardize/Validate.cpp:166	['ROMol', 'bool']	std::vector	[]
RDKit::RGroupDecompositionParameters::addDummyAtomsToUnlabelledCoreAtoms in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.cpp:311	['RWMol']	void	[]
testIssue276 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:674	[]	void	[]
testIssue285 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:736	[]	void	[]
testIssue284 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:689	[]	void	[]
testIssue215 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:392	[]	void	[]
test15Dists in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:470	[]	void	[]
testOrdering in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:562	[]	void	[]
testIssue227 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:581	[]	void	[]
testIssue236 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:606	[]	void	[]
testIssue244 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:631	[]	void	[]
testIssue251 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:661	[]	void	[]
testIssue355 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:769	[]	void	[]
testIssue3238580 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1090	[]	void	[]
testGithub696 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1498	[]	void	[]
testGithub697 in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1520	[]	void	[]
testProvideBoundsMatrix in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:2175	[]	void	[]
testHydrogenBondBasics in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:2346	[]	void	[]
RDKit::getMolBoundsMatrix in /src/rdkit/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp:223	['ROMol']	PyObject	[]
RDKit::MolDraw2D_detail::getAtomListText in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:1399	['Atom']	std::string	[]
testWeightedCentroid in /src/rdkit/Code/GraphMol/MolTransforms/test1.cpp:389	[]	void	[]
RDKit::ComputeGasteigerCharges in /src/rdkit/Code/GraphMol/PartialCharges/Wrap/rdPartialCharges.cpp:20	['ROMol', 'int', 'bool']	void	[]
testRDFcustom in /src/rdkit/Code/GraphMol/Descriptors/testRDFcustom.cpp:30	[]	void	[]
testMORSEcustom in /src/rdkit/Code/GraphMol/Descriptors/testRDFcustom.cpp:96	[]	void	[]
testAUTOCORR3Dcustom in /src/rdkit/Code/GraphMol/Descriptors/testRDFcustom.cpp:163	[]	void	[]
testWHIMcustom in /src/rdkit/Code/GraphMol/Descriptors/testRDFcustom.cpp:230	[]	void	[]
testGETAWAYcustom in /src/rdkit/Code/GraphMol/Descriptors/testRDFcustom.cpp:372	[]	void	[]
BCUT in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:439	['RDKit::ROMol']	python::list	[]
BCUT2D_list in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:443	['RDKit::ROMol', 'python::list']	std::pair	[]
getstate in /src/rdkit/Code/Geometry/Wrap/Point.cpp:32	['RDGeom::PointND']	python::tuple	[]
taniNbrHelper in /src/rdkit/Code/DataStructs/Wrap/wrap_FPB.cpp:20	['FPBReader*', 'std::string', 'double']	python::tuple	[]
tverskyNbrHelper in /src/rdkit/Code/DataStructs/Wrap/wrap_FPB.cpp:31	['FPBReader*', 'std::string', 'double', 'double', 'double']	python::tuple	[]
containingNbrHelper in /src/rdkit/Code/DataStructs/Wrap/wrap_FPB.cpp:42	['FPBReader*', 'std::string']	python::tuple	[]
multiTaniNbrHelper in /src/rdkit/Code/DataStructs/Wrap/wrap_FPB.cpp:53	['MultiFPBReader*', 'std::string', 'double', 'unsigned int']	python::tuple	[]
multiTverskyNbrHelper in /src/rdkit/Code/DataStructs/Wrap/wrap_FPB.cpp:66	['MultiFPBReader*', 'std::string', 'double', 'double', 'double', 'unsigned int']	python::tuple	[]
multiContainingNbrHelper in /src/rdkit/Code/DataStructs/Wrap/wrap_FPB.cpp:80	['MultiFPBReader*', 'std::string', 'unsigned int']	python::tuple	[]
RDKit::getSearchOrderHelper in /src/rdkit/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp:423	['SubstructLibraryWrap']	python::tuple	[]
getFingerprintsHelper in /src/rdkit/Code/GraphMol/MolProcessing/Wrap/rdMolProcessing.cpp:21	['std::string', 'python::object', 'GeneralMolSupplier::SupplierOptions']	python::tuple	[]
RDKit::ReactionsFromCDXMLFile in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:343	['char*', 'bool', 'bool']	python::object	[]
RDKit::ReactionsFromCDXMLBlock in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:363	['python::object', 'bool', 'bool']	python::object	[]
RDKit::GetReactingAtoms in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:381	['ChemicalReaction', 'bool']	python::object	[]
RDKit::AddRecursiveQueriesToReaction in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:391	['ChemicalReaction', 'python::dict', 'std::string']	python::object	[]
RDKit::PreprocessReaction in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:429	['ChemicalReaction', 'python::dict', 'std::string']	python::object	[]
RDKit::getFeatureFamilies in /src/rdkit/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeatureFactory.cpp:64	['MolChemicalFeatureFactory']	python::tuple	[]
enumerateHelper in /src/rdkit/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp:266	['MolStandardize::TautomerEnumerator', 'ROMol']	PyTautomerEnumeratorResult	[]
smilesTautomerMapKeysHelper in /src/rdkit/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp:122	['MolStandardize::SmilesTautomerMap']	python::tuple	[]
smilesTautomerMapValuesHelper in /src/rdkit/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp:131	['MolStandardize::SmilesTautomerMap']	python::tuple	[]
smilesTautomerMapItemsHelper in /src/rdkit/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp:140	['MolStandardize::SmilesTautomerMap']	python::tuple	[]
RDKit::FingerprintWrapper::getFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:229	['FingerprintGenerator *', 'python::object', 'int']	python::tuple	[]
RDKit::FingerprintWrapper::getCountFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:239	['FingerprintGenerator *', 'python::object', 'int']	python::tuple	[]
RDKit::FingerprintWrapper::getSparseFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:250	['FingerprintGenerator *', 'python::object', 'int']	python::tuple	[]
RDKit::FingerprintWrapper::getSparseCountFingerprints in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:261	['FingerprintGenerator *', 'python::object', 'int']	python::tuple	[]
RDKit::FingerprintWrapper::getAtomCountsHelper in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:401	['AdditionalOutput']	python::object	[]
RDKit::FingerprintWrapper::getAtomToBitsHelper in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:411	['AdditionalOutput']	python::object	[]
RDKit::FingerprintWrapper::getBitPathsHelper in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:425	['AdditionalOutput']	python::object	[]
RDKit::FingerprintWrapper::getBitInfoMapHelper in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:443	['AdditionalOutput']	python::object	[]
RDKit::MHFPWrapper::EncodeSmilesBulk in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp:75	['MHFPEncoder*', 'python::list']	python::object	[]
RDKit::MHFPWrapper::EncodeMolsBulk in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp:92	['MHFPEncoder*', 'python::list']	python::object	[]
RDKit::MHFPWrapper::EncodeSECFPSmilesBulk in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp:126	['MHFPEncoder*', 'python::list']	python::object	[]
RDKit::MHFPWrapper::EncodeSECFPMolsBulk in /src/rdkit/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp:143	['MHFPEncoder*', 'python::list']	python::object	[]
RDKit::RGroupDecompositionHelper::GetMatchingCoreIdx in /src/rdkit/Code/GraphMol/RGroupDecomposition/Wrap/rdRGroupComposition.cpp:83	['ROMol', 'python::object']	int	[]
getFailureCounts in /src/rdkit/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp:47	[]	python::tuple	[]
RDKit::getExpTorsHelperWithParams in /src/rdkit/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp:297	['RDKit::ROMol', 'DGeomHelpers::EmbedParameters']	python::tuple	[]
RDKit::getMolSizeHelper in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:202	['MolDraw2D', 'ROMol', 'python::object', 'python::object', 'python::object', 'python::object', 'python::object', 'int', 'std::string']	python::tuple	[]
RDKit::getBgColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:448	['RDKit::MolDrawOptions']	python::object	[]
RDKit::getQyColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:451	['RDKit::MolDrawOptions']	python::object	[]
RDKit::getHighlightColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:454	['RDKit::MolDrawOptions']	python::object	[]
RDKit::getSymbolColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:466	['RDKit::MolDrawOptions']	python::object	[]
RDKit::getLegendColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:472	['RDKit::MolDrawOptions']	python::object	[]
RDKit::getAnnotationColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:478	['RDKit::MolDrawOptions']	python::object	[]
RDKit::getAtomNoteColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:487	['RDKit::MolDrawOptions']	python::object	[]
RDKit::getBondNoteColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:493	['RDKit::MolDrawOptions']	python::object	[]
RDKit::getVariableAttachmentColour in /src/rdkit/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:496	['RDKit::MolDrawOptions']	python::object	[]
getAtomIndicesHelper in /src/rdkit/Code/GraphMol/Wrap/rdchem.cpp:51	['KekulizeException']	python::tuple	[]
getCStatesHelper in /src/rdkit/Code/GraphMol/Wrap/SubstanceGroup.cpp:79	['SubstanceGroup']	python::tuple	[]
getBracketsHelper in /src/rdkit/Code/GraphMol/Wrap/SubstanceGroup.cpp:87	['SubstanceGroup']	python::tuple	[]
getAttachPointsHelper in /src/rdkit/Code/GraphMol/Wrap/SubstanceGroup.cpp:95	['SubstanceGroup']	python::tuple	[]
RDKit::AtomGetNeighbors in /src/rdkit/Code/GraphMol/Wrap/Atom.cpp:63	['Atom*']	python::tuple	[]
RDKit::AtomGetBonds in /src/rdkit/Code/GraphMol/Wrap/Atom.cpp:71	['Atom*']	python::tuple	[]
RDKit::MolsFromPNGFile in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:661	['std::string', 'std::string', 'python::object']	python::object	[]
RDKit::MolsFromPNGString in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:687	['python::object', 'std::string', 'python::object']	python::tuple	[]
RDKit::MolsFromCDXMLFile in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:703	['std::string', 'bool', 'bool']	python::object	[]
RDKit::MolsFromCDXML in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:724	['python::object', 'bool', 'bool']	python::tuple	[]
RDKit::findAllSubgraphsOfLengthsMtoNHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:812	['ROMol', 'unsigned int', 'unsigned int']	python::object	[]
RDKit::detectChemistryProblemsHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:897	['ROMol', 'unsigned int']	python::tuple	[]
RDKit::hasQueryHsHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:1019	['ROMol']	python::tuple	[]
RDKit::findMesoHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:1088	['ROMol', 'bool', 'bool']	python::object	[]
atomRings in /src/rdkit/Code/GraphMol/Wrap/RingInfo.cpp:22	['RingInfo*']	python::object	[]
RDKit::RingBondCountVect::setMCSBondBitsPass2 in /src/rdkit/Code/GraphMol/FMCS/FMCS.cpp:540	[]	void	[]
RDKit::RingBondCountVect::isRingFusionHonored in /src/rdkit/Code/GraphMol/FMCS/FMCS.cpp:572	[]	bool	[]
atomMembers in /src/rdkit/Code/GraphMol/Wrap/RingInfo.cpp:36	['RingInfo*', 'unsigned int']	python::object	[]
RDKit::RingBondCountVect::setMCSBondBitsPass1 in /src/rdkit/Code/GraphMol/FMCS/FMCS.cpp:517	['unsigned int', 'unsigned int', 'std::uint32_t[]', 'FMCS::Graph']	void	[]
atomRingSizes in /src/rdkit/Code/GraphMol/Wrap/RingInfo.cpp:42	['RingInfo*', 'unsigned int']	python::object	[]
bondRingSizes in /src/rdkit/Code/GraphMol/Wrap/RingInfo.cpp:45	['RingInfo*', 'unsigned int']	python::object	[]
atomRingFamilies in /src/rdkit/Code/GraphMol/Wrap/RingInfo.cpp:50	['RingInfo*']	python::object	[]
bondRingFamilies in /src/rdkit/Code/GraphMol/Wrap/RingInfo.cpp:57	['RingInfo*']	python::object	[]
RDKit::getAtomsHelper in /src/rdkit/Code/GraphMol/Wrap/StereoGroup.cpp:47	['StereoGroup']	python::object	[]
RDKit::getBondsHelper in /src/rdkit/Code/GraphMol/Wrap/StereoGroup.cpp:54	['StereoGroup']	python::object	[]
JSONToMols in /src/rdkit/Code/GraphMol/MolInterchange/Wrap/rdMolInterchange.cpp:19	['std::string', 'python::object']	python::tuple	[]
RDKit::GetAllConformerBestRMS in /src/rdkit/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:199	['ROMol', 'int', 'python::object', 'int', 'bool']	python::tuple	[]
RDKit::MolAlign::getMMFFO3AForConfs in /src/rdkit/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:347	['ROMol', 'ROMol', 'int', 'python::object', 'python::object']	python::tuple	[]
RDKit::MolAlign::getCrippenO3AForConfs in /src/rdkit/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:500	['ROMol', 'ROMol', 'int', 'python::list', 'python::list']	python::tuple	[]
calcCoulombMat in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:125	['RDKit::ROMol', 'int']	python::tuple	[]
GetMorganFingerprint in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:484	['RDKit::ROMol', 'unsigned int', 'python::object', 'python::object', 'bool', 'bool', 'bool', 'bool', 'python::object', 'bool']	RDKit::SparseIntVect	[]
GetHashedMorganFingerprint in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:493	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'bool', 'bool', 'bool', 'python::object', 'bool']	RDKit::SparseIntVect	[]
GetMorganFingerprintBV in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:503	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'python::object', 'python::object', 'bool', 'bool', 'bool', 'python::object', 'bool']	ExplicitBitVect	[]
RDGeom::getGridIndicesWrap in /src/rdkit/Code/Geometry/Wrap/UniformGrid3D.cpp:66	['UniformGrid3D', 'unsigned int']	python::tuple	[]
RDGeom::findGridTerminalPointsWrap in /src/rdkit/Code/Geometry/Wrap/UniformGrid3D.cpp:75	['UniformGrid3D', 'double', 'double']	python::tuple	[]
MolData3Ddescriptors::GetCharges in /src/rdkit/Code/GraphMol/Descriptors/MolData3Ddescriptors.cpp:102	['RDKit::ROMol']	std::vector	[]
RDKit::AtomGetSmarts in /src/rdkit/Code/GraphMol/Wrap/Atom.cpp:93	['Atom*', 'bool', 'bool', 'bool']	std::string	[]
GetTable in /src/rdkit/Code/GraphMol/Wrap/Table.cpp:22	[]	PeriodicTable	[]
RDKit::UFFHasAllMoleculeParams in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:107	['ROMol']	bool	[]
RDMolecule::Generate3DCoords in /src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDMolImpl.cpp:101	[]	NS_IMETHODIMP	[]
testUFFAllConstraints in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:1293	[]	void	[]
testUFFCopy in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:1463	[]	void	[]
testUFFButaneScan in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:1551	[]	void	[]
testTemp in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:430	[]	void	[]
testMultipleConfs in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:511	[]	void	[]
testMultipleConfsExpTors in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:536	[]	void	[]
testMultiThreadMultiConf in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:1367	[]	void	[]
RDKit::UFFGetMoleculeForceField in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:97	['ROMol']	ForceFields::PyForceField	[]
RDKit::UFFConfsHelper in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:36	['ROMol', 'int', 'int', 'double', 'bool']	python::object	[]
testUFFMultiThread2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1173	[]	void	[]
testMissingParams in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:919	[]	void	[]
testSFIssue3009337 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:957	[]	void	[]
testGitHubIssue62 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:999	[]	void	[]
runblock_uff in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1081	['std::vector ', 'std::vector ', 'unsigned int', 'unsigned int']	void	[]
testUFFMultiThread in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1112	[]	void	[]
testUFFMultiThread3 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1211	[]	void	[]
testSquarePlanar in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1286	[]	void	[]
testOctahedral in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1332	[]	void	[]
testIssue241 in /src/rdkit/Code/GraphMol/MolAlign/testMolAlign.cpp:247	[]	void	[]
testUFFTyper2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:138	[]	void	[]
testGitHubIssue613 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1259	[]	void	[]
ForceFields::getUFFBondStretchParams in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:182	['RDKit::ROMol', 'unsigned int', 'unsigned int']	PyObject	[]
testUFFParamGetters in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:1038	[]	void	[]
ForceFields::getUFFAngleBendParams in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:196	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'unsigned int']	PyObject	[]
ForceFields::getUFFTorsionParams in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:211	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'unsigned int', 'unsigned int']	PyObject	[]
ForceFields::getUFFVdWParams in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:237	['RDKit::ROMol', 'unsigned int', 'unsigned int']	PyObject	[]
testUFFTyper1 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:32	[]	void	[]
testGitHubIssue694 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:1839	[]	void	[]
testGitHubIssue463 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:1675	[]	void	[]
RDKit::Descriptors::calcChi2v in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:228	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi3v in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:231	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi4v in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:234	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi0v in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:209	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi1v in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:214	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi2n in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:257	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi3n in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:260	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi4n in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:263	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi0n in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:238	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcChi1n in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:243	['ROMol', 'bool']	double	[]
RDKit::Descriptors::calcPhi in /src/rdkit/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp:349	['ROMol']	double	[]
RDKit::Descriptors::calcLabuteASA in /src/rdkit/Code/GraphMol/Descriptors/MolSurf.cpp:89	['ROMol', 'bool', 'bool']	double	[]
CalcSlogPVSA in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:776	['RDKit::ROMol', 'python::object', 'bool']	python::list	[]
CalcSMRVSA in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:797	['RDKit::ROMol', 'python::object', 'bool']	python::list	[]
CalcPEOEVSA in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:818	['RDKit::ROMol', 'python::object', 'bool']	python::list	[]
CalcCustomPropVSA in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:839	['RDKit::ROMol', 'std::string', 'python::object', 'bool']	python::list	[]
computeASAContribs in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:48	['RDKit::ROMol']	python::tuple	[]
test1Encode in /src/rdkit/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp:25	[]	void	[]
test2Compare in /src/rdkit/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp:39	[]	void	[]
RDKit::tverskyMolShapes in /src/rdkit/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp:124	['ROMol', 'ROMol', 'double', 'double']	double	[]
testGithub4364 in /src/rdkit/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp:86	[]	void	[]
RDKit::tanimotoMolShapes in /src/rdkit/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp:136	['ROMol', 'ROMol']	double	[]
RDKit::protrudeMolShapes in /src/rdkit/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp:146	['ROMol', 'ROMol']	double	[]
RDKit::EncodeMolShape in /src/rdkit/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp:106	['ROMol', 'RDGeom::UniformGrid3D']	void	[]
RDKit::getAtomicCharge in /src/rdkit/Code/GraphMol/DetermineBonds/DetermineBonds.cpp:235	['int', 'unsigned int']	int	[]
RDKit::ParseXYZFileAtomLine in /src/rdkit/Code/GraphMol/FileParsers/XYZFileParser.cpp:42	['std::string', 'RDGeom::Point3D', 'unsigned int']	Atom	[]
RDKit::guessFormalCharges in /src/rdkit/Code/GraphMol/FileParsers/Mol2FileParser.cpp:139	['RWMol*']	void	[]
RDKit::ParseMol2AtomBlock in /src/rdkit/Code/GraphMol/FileParsers/Mol2FileParser.cpp:723	['std::istream', 'RWMol', 'unsigned int', 'INT_VECT']	void	[]
RDKit::ParseMolBlockAtoms in /src/rdkit/Code/GraphMol/FileParsers/MolFileParser.cpp:1818	['std::istream', 'unsigned int', 'unsigned int', 'RWMol', 'Conformer*', 'bool']	void	[]
RDKit::ParseV3000AtomBlock in /src/rdkit/Code/GraphMol/FileParsers/MolFileParser.cpp:2519	['std::istream', 'unsigned int', 'unsigned int', 'RWMol', 'Conformer*', 'bool', 'bool']	void	[]
testHasValenceViolation in /src/rdkit/Code/GraphMol/test1.cpp:1605	[]	void	[]
RDMolecule::GetSmartsMatchCount in /src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDMolImpl.cpp:47	['char', 'PRUint32']	NS_IMETHODIMP	[]
molHasSubstruct in /src/rdkit/Code/Demos/sqlite/rdk_funcs.cpp:166	['sqlite3_context', 'int', 'sqlite3_value*']	void	[]
molSubstructCount in /src/rdkit/Code/Demos/sqlite/rdk_funcs.cpp:200	['sqlite3_context', 'int', 'sqlite3_value*']	void	[]
RDKit::MorganFingerprints::ss_matcher::ss_matcher in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintUtil.cpp:196	['std::string']	void	[]
RDKitSV::RDKitSVMainWindow::slot_match_smarts in /src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/RDKitSVMainWindow.cc:517	[]	void	[]
RDKit::ss_matcher::ss_matcher in /src/rdkit/Code/GraphMol/Descriptors/USRDescriptor.cpp:136	['std::string']	void	[]
operator""_smarts(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/SmilesParse/SmilesParse.h:246	['char*', 'size_t']	std::unique_ptr	[]
check_smarts_ok in /src/rdkit/Code/GraphMol/RascalMCES/LONG_TEST_mces_catch.cpp:31	['RDKit::ROMol', 'RDKit::ROMol', 'RascalResult']	void	[]
RDKit::MarvinCMLWriter::GetMarvinAtomInfo in /src/rdkit/Code/GraphMol/MarvinParse/MarvinWriter.cpp:78	['Atom', 'MarvinAtom']	void	[]
MrvTests::RunTests in /src/rdkit/Code/GraphMol/MarvinParse/testMrvToMol.cpp:870	[]	void	[]
RDKit::MarvinMultipleSgroup::processSpecialSgroups in /src/rdkit/Code/GraphMol/MarvinParse/MarvinDefs.cpp:3347	[]	void	[]
RDKit::MarvinSuperatomSgroup::processSpecialSgroups in /src/rdkit/Code/GraphMol/MarvinParse/MarvinDefs.cpp:3340	[]	void	[]
RDKit::MarvinSuperatomSgroupExpanded::convertToOneSuperAtom in /src/rdkit/Code/GraphMol/MarvinParse/MarvinDefs.cpp:3351	[]	MarvinMolBase	[]
RDKit::MarvinMultipleSgroup::contractOneMultipleSgroup in /src/rdkit/Code/GraphMol/MarvinParse/MarvinDefs.cpp:3627	[]	void	[]
RDKit::eraseUniquePtr in /src/rdkit/Code/GraphMol/MarvinParse/MarvinDefs.h:227	['std::vector >', 'T*']	void	[]
RDKit::addPatternsHelper in /src/rdkit/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp:448	['SubstructLibraryWrap', 'int']	void	[]
RDKit::SubstructLibrary::addMol in /src/rdkit/Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp:158	['ROMol']	unsigned int	[]
RDKit::molbundleGetMatches in /src/rdkit/Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp:440	['MolBundle', 'MolHolderBase', 'FPHolderBase', 'unsigned int', 'unsigned int', 'SubstructMatchParameters', 'int', 'int', 'std::vector ', 'std::vector ']	int	[]
RDKit::RunFilterCatalogWrapper in /src/rdkit/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp:308	['FilterCatalog', 'std::vector ', 'int']	std::vector >>	[]
test_basic_functions in /src/eigen/test/bfloat16_float.cpp:253	[]	void	[]
Eigen::internal::main_igamma_term in /src/eigen/unsupported/Eigen/src/SpecialFunctions/SpecialFunctionsImpl.h:809	['Scalar', 'Scalar']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::incbsa in /src/eigen/unsupported/Eigen/src/SpecialFunctions/SpecialFunctionsImpl.h:1770	['float', 'float', 'float']	float	[]
Eigen::internal::RandomToTypeNormal in /src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorRandom.h:207	['uint64_t*', 'uint64_t']	EIGEN_DEVICE_FUNC	[]
Eigen::internal::complex_log in /src/eigen/Eigen/src/Core/MathFunctionsImpl.h:250	['ComplexT']	EIGEN_DEVICE_FUNC	[]
RDKit::SmartsMatcher::getMatches in /src/rdkit/Code/GraphMol/FilterCatalog/FilterMatchers.cpp:86	['ROMol', 'std::vector ']	bool	[]
RDKit::SmartsMatcher::hasMatch in /src/rdkit/Code/GraphMol/FilterCatalog/FilterMatchers.cpp:115	['ROMol']	bool	[]
RDKit::FilterCatalog::getEntryWithIdx in /src/rdkit/Code/GraphMol/FilterCatalog/FilterCatalog.cpp:156	['unsigned int']	FilterCatalog::entryType_t	[]
RDKit::ChemicalReaction::initReactantMatchers in /src/rdkit/Code/GraphMol/ChemReactions/Reaction.cpp:72	['bool']	void	[]
RDKit::run_Reactants in /src/rdkit/Code/GraphMol/ChemReactions/ReactionRunner.cpp:1604	['ChemicalReaction', 'MOL_SPTR_VECT', 'unsigned int']	std::vector	[]
RDKit::run_Reactant in /src/rdkit/Code/GraphMol/ChemReactions/ReactionRunner.cpp:1910	['ChemicalReaction', 'ROMOL_SPTR', 'unsigned int']	std::vector	[]
RDKit::RxnOps::adjustTemplates in /src/rdkit/Code/GraphMol/ChemReactions/SanitizeRxn.cpp:369	['MOL_SPTR_VECT', 'MolOps::AdjustQueryParameters']	void	[]
test24AtomFlags in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2487	[]	void	[]
test65SanitizeUnmappedHs in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:6114	[]	void	[]
test66SanitizeMappedHs in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:6218	[]	void	[]
test67SanitizeMappedHsInReactantAndProd in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:6326	[]	void	[]
test68MappedHToHeavy in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:6454	[]	void	[]
testGithub1868 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:6929	[]	void	[]
RDKit::removeMappingNumbersFromReactions in /src/rdkit/Code/GraphMol/ChemReactions/ReactionUtils.cpp:354	['ChemicalReaction']	void	[]
RDKit::EnumerateLibraryBase::getState in /src/rdkit/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp:70	[]	std::string	[]
RDKit::EnumerateLibraryBase::resetState in /src/rdkit/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp:81	[]	void	[]
RDKit::EnumerateLibraryBase::nextSmiles in /src/rdkit/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp:86	[]	std::vector >	[]
testInsaneEnumerations in /src/rdkit/Code/GraphMol/ChemReactions/Enumerate/testEnumerate.cpp:278	[]	void	[]
RDKit::MolChemicalFeatureDef in /src/rdkit/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h:25	[]	class RDKIT_MOLCHEMICALFEATURES_EXPORT	[]
RDKit::MolStandardize::MetalDisconnector::getMetalNof in /src/rdkit/Code/GraphMol/MolStandardize/Metal.cpp:65	[]	ROMol	[]
RDKit::MolStandardize::MetalDisconnector::getMetalNon in /src/rdkit/Code/GraphMol/MolStandardize/Metal.cpp:67	[]	ROMol	[]
RDKit::getCallback in /src/rdkit/Code/GraphMol/MolStandardize/Tautomer.h:353	[]	TautomerEnumeratorCallback	[]
RDKit::MolStandardize::TransformCatalogParams::getTransformation in /src/rdkit/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.cpp:61	['unsigned int']	ChemicalReaction	[]
RDKit::MolStandardize::FragmentCatalogParams::getFuncGroup in /src/rdkit/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.cpp:59	['unsigned int']	ROMol	[]
RDKit::CIPLabeler::Rules::getSorter in /src/rdkit/Code/GraphMol/CIPLabeler/rules/Rules.h:48	[]	Sort	[]
RDKit::CIPLabeler::SequenceRule::getSorter in /src/rdkit/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp:44	[]	Sort	[]
testReplaceCoreMatchVectMultipleMappingToCore in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:953	[]	void	[]
RDKit::replaceSubstructures in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:322	['ROMol', 'ROMol', 'ROMol']	PyObject	[]
RDKit::CDXMLToChemicalReactions in /src/rdkit/Code/GraphMol/ChemReactions/CDXMLParser.cpp:124	['std::string', 'bool', 'bool']	std::vector >	[]
RDKit::MorganFingerprints::ss_matcher::getMatcher in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintUtil.cpp:193	[]	RDKit::ROMol	[]
RDKit::AdditionalOutput in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintGenerator.h:26	[]	struct RDKIT_FINGERPRINTS_EXPORT	[]
RDKit::detail::getAtomNumbers in /src/rdkit/Code/GraphMol/Fingerprints/PatternFingerprints.cpp:83	['Atom*', 'std::vector ']	void	[]
testSymmetryMatching in /src/rdkit/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp:113	[]	void	[]
testGaSymmetryMatching in /src/rdkit/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp:144	['RGroupScore']	void	[]
testGaBatch in /src/rdkit/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp:176	[]	void	[]
testRGroupOnlyMatching in /src/rdkit/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp:226	[]	void	[]
testGithub1550 in /src/rdkit/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp:428	[]	void	[]
testRowColumnAlignmentProblem in /src/rdkit/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp:1011	[]	void	[]
RDKit::RGroupGa::runBatch in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupGa.cpp:311	[]	vector	[]
RDKit::RCore::matchTerminalUserRGroups in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupCore.cpp:433	['RWMol', 'MatchVectType', 'SubstructMatchParameters']	std::vector	[]
RDKit::DGeomHelpers::detail::embedHelper_ in /src/rdkit/Code/GraphMol/DistGeomHelpers/Embedder.cpp:1356	['int', 'int', 'EmbedArgs', 'EmbedParameters', 'TimePoint*']	void	[]
setCoordMap in /src/rdkit/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp:35	['python::dict']	void	[]
RDKit::MolDraw2DCairo::initDrawing in /src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp:32	[]	void	[]
RDKit::MolDraw2D_detail::DrawMol::shrinkToFit in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:1369	['bool']	void	[]
RDKit::MolDraw2D_detail::DrawMol::setOffsets in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:2897	['double', 'double']	void	[]
RDKit::MolDraw2D_detail::findRadicalExtremes in /src/rdkit/Code/GraphMol/MolDraw2D/DrawMol.cpp:3918	['std::vector >', 'double', 'double', 'double', 'double']	void	[]
RDKit::FragCatParams::getFuncGroup in /src/rdkit/Code/GraphMol/FragCatalog/FragCatParams.cpp:65	['unsigned int']	ROMol	[]
testCase_1 in /src/rdkit/Code/GraphMol/MMPA/MMPA_UnitTest.cpp:662	[]	void	[]
testGithub6900 in /src/rdkit/Code/GraphMol/MMPA/MMPA_UnitTest.cpp:695	[]	void	[]
get_mmpa_frags_helper in /src/rdkit/Code/MinimalLib/jswrapper.cpp:404	['JSMolBase', 'unsigned int', 'unsigned int', 'unsigned int']	emscripten::val	[]
helpers::prepConf in /src/rdkit/External/pubchem_shape/Wrap/cshapealign.cpp:87	['RDKit::ROMol', 'int', 'python::object']	ShapeInput	[]
testMMFFMultiThread in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp:48	[]	void	[]
RDKit::ss_matcher::getMatcher in /src/rdkit/Code/GraphMol/Descriptors/USRDescriptor.cpp:141	[]	RDKit::ROMol	[]
testGetO3AForProbeConfs in /src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp:611	[]	void	[]
testO3AMultiThreadBug in /src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp:683	[]	void	[]
testMMFFO3AMultiThread in /src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp:486	[]	void	[]
testCrippenO3AMultiThread in /src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp:541	[]	void	[]
RDKit::MolAlign::PyO3A::align in /src/rdkit/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:247	[]	double	[]
RDKit::MolAlign::PyO3A::score in /src/rdkit/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:253	[]	double	[]
RDKit::Descriptors::makePropertyQuery in /src/rdkit/Code/GraphMol/Descriptors/Property.h:115	['std::string', 'double']	T	[]
RDKit::Descriptors::Properties::Properties in /src/rdkit/Code/GraphMol/Descriptors/Property.cpp:154	['std::vector ']	void	[]
RDKit::Descriptors::makePropertyRangeQuery in /src/rdkit/Code/GraphMol/Descriptors/Property.cpp:188	['std::string', 'double', 'double']	PROP_RANGE_QUERY	[]
RDKit::SynthonSpaceSearch::SynthonSpaceFingerprintSearcher::extraSearchSetup in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.cpp:115	['std::vector >>']	void	[]
RDKit::SynthonSpaceSearch::SynthonSpaceRascalSearcher::extraSearchSetup in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.cpp:73	['std::vector >>']	void	[]
RDKit::SynthonSpaceSearch::SynthonSpaceFingerprintSearcher::searchFragSet in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.cpp:160	['std::vector >', 'SynthonSet']	std::vector >	[]
RDKit::SynthonSpaceSearch::reorderFragments in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp:31	['std::vector >', 'std::vector >']	void	[]
RDKit::SynthonSpaceSearch::gatherPatternFPs in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp:65	['std::vector >', 'std::vector >']	std::vector	[]
RDKit::SynthonSpaceSearch::SynthonSpaceSubstructureSearcher::searchFragSet in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp:311	['std::vector >', 'SynthonSet']	std::vector >	[]
RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::SynthonSpaceHitSet in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceHitSet.cpp:14	['SynthonSet', 'std::vector >', 'std::vector >']	void	[]
RDKit::v1::MultithreadedSmilesMolSupplier in /src/rdkit/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h:64	[]	class RDKIT_FILEPARSERS_EXPORT	[]
RDKit::v1::MultithreadedSDMolSupplier in /src/rdkit/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.h:67	[]	class RDKIT_FILEPARSERS_EXPORT	[]
RDKit::v1::ForwardSDMolSupplier in /src/rdkit/Code/GraphMol/FileParsers/MolSupplier.v1API.h:128	[]	class RDKIT_FILEPARSERS_EXPORT	[]
RDKit::v1::SmilesMolSupplier in /src/rdkit/Code/GraphMol/FileParsers/MolSupplier.v1API.h:231	[]	class RDKIT_FILEPARSERS_EXPORT	[]
RDKit::v1::TDTMolSupplier in /src/rdkit/Code/GraphMol/FileParsers/MolSupplier.v1API.h:329	[]	class RDKIT_FILEPARSERS_EXPORT	[]
RDKit::v1::MaeMolSupplier in /src/rdkit/Code/GraphMol/FileParsers/MolSupplier.v1API.h:413	[]	class RDKIT_FILEPARSERS_EXPORT	[]
RDKit::v2::FileParsers::SCSRMol::getTemplate in /src/rdkit/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp:48	['unsigned int']	ROMol	[]
RDKit::v2::FileParsers::SCSRMol::getMol in /src/rdkit/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp:52	[]	ROMol	[]
RDKit::v1::MultithreadedMolSupplier in /src/rdkit/Code/GraphMol/FileParsers/MultithreadedMolSupplier.h:169	[]	class RDKIT_FILEPARSERS_EXPORT	[]
RDKit::Deprotect::DeprotectData::DeprotectData in /src/rdkit/Code/GraphMol/Deprotect/Deprotect.cpp:21	['std::string', 'std::string', 'std::string', 'std::string', 'std::string']	void	[]
RDGeom::PointND in /src/rdkit/Code/Geometry/point.h:426	[]	class RDKIT_RDGEOMETRYLIB_EXPORT	[]
RDKit::DGeomHelpers::EmbeddingOps::embedPoints in /src/rdkit/Code/GraphMol/DistGeomHelpers/Embedder.cpp:854	['RDGeom::PointPtrVect', 'detail::EmbedArgs', 'EmbedParameters', 'int', 'TimePoint']	bool	[]
RDKit::embedBoundsMatrix in /src/rdkit/Code/DistGeom/Wrap/DistGeom.cpp:70	['python::object']	PyObject	[]
get_as_uint8array in /src/rdkit/Code/MinimalLib/jswrapper.cpp:235	['JSMolBase', 'std::string']	emscripten::val	[]
get_as_uint8array_no_details in /src/rdkit/Code/MinimalLib/jswrapper.cpp:240	['JSMolBase']	emscripten::val	[]
JSMolBase::get_inchi in /src/rdkit/Code/MinimalLib/minilib.cpp:149	['std::string']	std::string	[]
JSMolBase::get_svg in /src/rdkit/Code/MinimalLib/minilib.cpp:138	['int', 'int']	std::string	[]
JSMolBase::get_morgan_fp in /src/rdkit/Code/MinimalLib/minilib.cpp:216	['std::string']	std::string	[]
JSMolBase::get_morgan_fp_as_binary_text in /src/rdkit/Code/MinimalLib/minilib.cpp:222	['std::string']	std::string	[]
get_pattern_fp_helper in /src/rdkit/Code/MinimalLib/jswrapper.cpp:286	['JSMolBase', 'emscripten::val']	std::string	[]
get_pattern_fp_as_uint8array_helper in /src/rdkit/Code/MinimalLib/jswrapper.cpp:292	['JSMolBase', 'emscripten::val']	emscripten::val	[]
get_pattern_fp_as_uint8array in /src/rdkit/Code/MinimalLib/jswrapper.cpp:299	['JSMolBase']	emscripten::val	[]
JSMolBase::get_topological_torsion_fp in /src/rdkit/Code/MinimalLib/minilib.cpp:242	['std::string']	std::string	[]
JSMolBase::get_topological_torsion_fp_as_binary_text in /src/rdkit/Code/MinimalLib/minilib.cpp:250	['std::string']	std::string	[]
JSMolBase::get_rdkit_fp in /src/rdkit/Code/MinimalLib/minilib.cpp:258	['std::string']	std::string	[]
JSMolBase::get_rdkit_fp_as_binary_text in /src/rdkit/Code/MinimalLib/minilib.cpp:264	['std::string']	std::string	[]
JSMolBase::get_atom_pair_fp in /src/rdkit/Code/MinimalLib/minilib.cpp:271	['std::string']	std::string	[]
JSMolBase::get_atom_pair_fp_as_binary_text in /src/rdkit/Code/MinimalLib/minilib.cpp:277	['std::string']	std::string	[]
generate_aligned_coords_helper in /src/rdkit/Code/MinimalLib/jswrapper.cpp:254	['JSMolBase', 'JSMolBase', 'emscripten::val']	std::string	[]
JSMolBase::get_prop_list in /src/rdkit/Code/MinimalLib/minilib.cpp:424	['bool', 'bool']	std::vector	[]
JSMolBase::set_prop in /src/rdkit/Code/MinimalLib/minilib.cpp:429	['std::string', 'std::string', 'bool']	bool	[]
JSMolBase::normalize_depiction in /src/rdkit/Code/MinimalLib/minilib.cpp:534	['int', 'double']	double	[]
JSMolBase::straighten_depiction in /src/rdkit/Code/MinimalLib/minilib.cpp:541	['bool']	void	[]
JSMolBase::get_num_atoms in /src/rdkit/Code/MinimalLib/minilib.cpp:565	['bool']	unsigned int	[]
&get()const in /src/rdkit/Code/MinimalLib/minilib.h:211	[]	RDKit::RWMol	[]
&get() in /src/rdkit/Code/MinimalLib/minilib.h:215	[]	RDKit::RWMol	[]
JSMolBase::get_smiles in /src/rdkit/Code/MinimalLib/minilib.cpp:111	['std::string']	std::string	[]
JSMolBase::get_cxsmiles in /src/rdkit/Code/MinimalLib/minilib.cpp:117	['std::string']	std::string	[]
JSMolBase::get_smarts in /src/rdkit/Code/MinimalLib/minilib.cpp:127	['std::string']	std::string	[]
JSMolBase::get_cxsmarts in /src/rdkit/Code/MinimalLib/minilib.cpp:133	['std::string']	std::string	[]
JSMolBase::get_svg_with_highlights in /src/rdkit/Code/MinimalLib/minilib.cpp:141	['std::string']	std::string	[]
JSMolBase::get_json in /src/rdkit/Code/MinimalLib/minilib.cpp:160	[]	std::string	[]
JSMolBase::get_substruct_match in /src/rdkit/Code/MinimalLib/minilib.cpp:172	['JSMolBase']	std::string	[]
JSMolBase::get_substruct_matches in /src/rdkit/Code/MinimalLib/minilib.cpp:189	['JSMolBase']	std::string	[]
JSMolBase::get_descriptors in /src/rdkit/Code/MinimalLib/minilib.cpp:212	[]	std::string	[]
get_avalon_fp_as_binary_text in /src/rdkit/Code/MinimalLib/minilib.cpp:303	['std::string']	std::string	[]
JSMolBase::convert_to_kekule_form in /src/rdkit/Code/MinimalLib/minilib.cpp:380	[]	void	[]
JSMolBase::has_prop in /src/rdkit/Code/MinimalLib/minilib.cpp:420	['std::string']	bool	[]
JSMolBase::get_prop in /src/rdkit/Code/MinimalLib/minilib.cpp:435	['std::string']	std::string	[]
JSMolBase::clear_prop in /src/rdkit/Code/MinimalLib/minilib.cpp:444	['std::string']	bool	[]
JSMolBase::has_coords in /src/rdkit/Code/MinimalLib/minilib.cpp:527	[]	int	[]
JSMolBase::get_num_bonds in /src/rdkit/Code/MinimalLib/minilib.cpp:569	[]	unsigned int	[]
Eigen::internal::imklfft::forward in /src/eigen/unsupported/Eigen/src/FFT/imklfft_impl.h:150	['complex_type', 'scalar_type', 'MKL_LONG']	void	[]
Eigen::internal::imklfft::inverse in /src/eigen/unsupported/Eigen/src/FFT/imklfft_impl.h:157	['scalar_type', 'complex_type', 'MKL_LONG']	void	[]
Eigen::internal::imklfft::forward2 in /src/eigen/unsupported/Eigen/src/FFT/imklfft_impl.h:164	['complex_type', 'complex_type', 'int', 'int']	void	[]
Eigen::internal::imklfft::inverse2 in /src/eigen/unsupported/Eigen/src/FFT/imklfft_impl.h:172	['complex_type', 'complex_type', 'int', 'int']	void	[]
evalSubExprsIfNeededCommon in /src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorReduction.h:666	['EvaluatorPointerType']	EIGEN_STRONG_INLINE	[]

Sink functions/methods found for CWE22

Target sink

Reached by fuzzer

Function call path

Possible branch blockers

copy

['/src/rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc']

N/A

Blocker function	Arguments type	Return type	Constants touched
testGithubIssue8 in /src/rdkit/External/INCHI-API/test.cpp:198	[]	void	[]
testGithubIssue40 in /src/rdkit/External/INCHI-API/test.cpp:234	[]	void	[]
testGithubIssue67 in /src/rdkit/External/INCHI-API/test.cpp:254	[]	void	[]
testGithubIssue68 in /src/rdkit/External/INCHI-API/test.cpp:273	[]	void	[]
testGithubIssue437 in /src/rdkit/External/INCHI-API/test.cpp:336	[]	void	[]
testGithubIssue562 in /src/rdkit/External/INCHI-API/test.cpp:541	[]	void	[]
testGithubIssue1572 in /src/rdkit/External/INCHI-API/test.cpp:585	[]	void	[]
testGithub3645 in /src/rdkit/External/INCHI-API/test.cpp:827	[]	void	[]
testGithub6172 in /src/rdkit/External/INCHI-API/test.cpp:887	[]	void	[]
RDKit::VarianceDataForLabel::variance in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp:298	[]	double	[]
boost::python::list_indexing_suite::get_slice in /src/rdkit/Code/RDBoost/list_indexing_suite.hpp:67	['Container', 'index_type', 'index_type']	object	[]
RDKit::Dict in /src/rdkit/Code/RDGeneral/Dict.h:36	[]	class RDKIT_RDGENERAL_EXPORT	[]
test12SimilaritiesSparseBV in /src/rdkit/Code/DataStructs/testDatastructs.cpp:1247	[]	void	[]
Test in /src/rdkit/Code/DataStructs/testDatastructs.cpp:42	['T']	void	[]
&SparseBitVect::operator=(constSparseBitVect&other) in /src/rdkit/Code/DataStructs/SparseBitVect.cpp:72	['SparseBitVect']	SparseBitVect	[]
SparseBitVect::getOnBits in /src/rdkit/Code/DataStructs/SparseBitVect.cpp:252	['IntVect']	void	[]
testUFF2 in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:135	[]	void	[]
testUFF4 in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:290	[]	void	[]
testUFF5 in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:504	[]	void	[]
testUFF6 in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:629	[]	void	[]
testUFF7 in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:684	[]	void	[]
testUFF8 in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:938	[]	void	[]
testUFFTorsionConflict in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:1077	[]	void	[]
testUFFDistanceConstraints in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:1221	[]	void	[]
testUFFCopy in /src/rdkit/Code/ForceField/UFF/testUFFForceField.cpp:1463	[]	void	[]
testMMFFCopy in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:1670	[]	void	[]
testTorsionAngleContribs in /src/rdkit/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp:30	[]	void	[]
testUFFBuilder1 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:208	[]	void	[]
testUFFBuilder2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:360	[]	void	[]
testSFIssue1653802 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:648	[]	void	[]
mmffValidationSuite in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:211	['int', 'char*[]']	int	[]
testMMFFAllConstraints in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:1403	[]	void	[]
testMMFFTorsionConstraints in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:1608	[]	void	[]
testMMFFButaneScan in /src/rdkit/Code/ForceField/MMFF/testMMFFForceField.cpp:1765	[]	void	[]
testAddConformersFromTrajectory in /src/rdkit/Code/GraphMol/Trajectory/trajectoryTest.cpp:309	[]	void	[]
RDKit::MMFFOptimizeMolecule in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:114	['ROMol']	int	[]
RDKit::MMFFGetMoleculeForceField in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:153	['ROMol', 'ForceFields::PyMMFFMolProperties*']	ForceFields::PyForceField	[]
testIssue239 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:440	[]	void	[]
testCalcEnergyPassedCoords in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:471	[]	void	[]
testCalcGrad in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:512	[]	void	[]
testSFIssue2378119 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:696	[]	void	[]
testMMFFBuilder2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:311	[]	void	[]
testMMFFBatch in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:395	[]	void	[]
testIssue242 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:569	[]	void	[]
testGithub308 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:627	[]	void	[]
runblock_mmff in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp:36	['std::vector ']	void	[]
testMMFFMultiThread3 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:994	[]	void	[]
testGithub6728 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:1072	[]	void	[]
RDKit::MMFFConfsHelper in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:52	['ROMol', 'int', 'int', 'std::string', 'double', 'bool']	python::object	[]
testMMFFMultiThread2 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:956	[]	void	[]
testMMFFO3AConstraints in /src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp:196	[]	void	[]
testCrippenO3AConstraints in /src/rdkit/Code/GraphMol/MolAlign/testO3AAlign.cpp:244	[]	void	[]
testMMFFBuilder1 in /src/rdkit/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:146	[]	void	[]
RDKit::DGeomHelpers::EmbeddingOps::embedPoints in /src/rdkit/Code/GraphMol/DistGeomHelpers/Embedder.cpp:854	['RDGeom::PointPtrVect', 'detail::EmbedArgs', 'EmbedParameters', 'int', 'TimePoint']	bool	[]
RDKit::embedBoundsMatrix in /src/rdkit/Code/DistGeom/Wrap/DistGeom.cpp:70	['python::object']	PyObject	[]
ForceFields::MMFF::MMFFAromCollection::MMFFAromCollection in /src/rdkit/Code/ForceField/MMFF/Params.cpp:34	['std::vector *']	void	[]
RDKit::ROMol::initFromOther in /src/rdkit/Code/GraphMol/ROMol.cpp:77	['ROMol', 'bool', 'int']	void	[]
testGithub336 in /src/rdkit/External/AvalonTools/test1.cpp:322	[]	void	[]
mol_in in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:45	[]	Datum	[]
mol_from_smarts in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:157	[]	Datum	[]
mol_from_smiles in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:174	[]	Datum	[]
qmol_from_smiles in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:191	[]	Datum	[]
qmol_in in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:382	[]	Datum	[]
mol_from_ctab in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:112	[]	Datum	[]
qmol_from_ctab in /src/rdkit/Code/PgSQL/rdkit/rdkit_io.c:135	[]	Datum	[]
is_valid_smiles in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:70	[]	Datum	[]
is_valid_ctab in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:84	[]	Datum	[]
testSFNetIssue2196817 in /src/rdkit/Code/GraphMol/molopstest.cpp:3353	[]	void	[]
testSimpleAromaticity in /src/rdkit/Code/GraphMol/molopstest.cpp:6923	[]	void	[]
testMMFFAromaticity in /src/rdkit/Code/GraphMol/molopstest.cpp:6999	[]	void	[]
testCustomAromaticity in /src/rdkit/Code/GraphMol/molopstest.cpp:7049	[]	void	[]
testGithubIssue1730 in /src/rdkit/Code/GraphMol/molopstest.cpp:7080	[]	void	[]
testGithub1622 in /src/rdkit/Code/GraphMol/molopstest.cpp:7536	[]	void	[]
testGithubIssue3 in /src/rdkit/External/INCHI-API/test.cpp:163	[]	void	[]
mol_murckoscaffold in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:400	[]	Datum	[]
BuildSimpleMolecule in /src/rdkit/Code/Demos/RDKit/GettingStarted/sample.cpp:33	[]	void	[]
CleanupMolecule in /src/rdkit/Code/Demos/RDKit/GettingStarted/sample.cpp:205	[]	void	[]
runMolFile in /src/rdkit/Code/Demos/RDKit/Basement/Minimize/MinimizeCLI.cpp:50	['std::string']	void	[]
runSDFile in /src/rdkit/Code/Demos/RDKit/Basement/Minimize/MinimizeCLI.cpp:63	['std::string']	void	[]
test9 in /src/rdkit/Code/GraphMol/Substruct/test1.cpp:540	[]	void	[]
testSFIssue1836576 in /src/rdkit/Code/GraphMol/molopstest.cpp:2732	[]	void	[]
testSFIssue1894348 in /src/rdkit/Code/GraphMol/molopstest.cpp:2939	[]	void	[]
testAromaticityEdges in /src/rdkit/Code/GraphMol/molopstest.cpp:2985	[]	void	[]
testSFNetIssue2313979 in /src/rdkit/Code/GraphMol/molopstest.cpp:3618	[]	void	[]
testSanitizeNonringAromatics in /src/rdkit/Code/GraphMol/molopstest.cpp:3664	[]	void	[]
testSFNetIssue3525076 in /src/rdkit/Code/GraphMol/molopstest.cpp:4141	[]	void	[]
testSFNetIssue249 in /src/rdkit/Code/GraphMol/molopstest.cpp:4677	[]	void	[]
testGithubIssue754 in /src/rdkit/Code/GraphMol/molopstest.cpp:6762	[]	void	[]
testGithub1605 in /src/rdkit/Code/GraphMol/molopstest.cpp:7515	[]	void	[]
testGithub1703 in /src/rdkit/Code/GraphMol/molopstest.cpp:7659	[]	void	[]
testGithub1614 in /src/rdkit/Code/GraphMol/molopstest.cpp:7688	[]	void	[]
testGithub1810 in /src/rdkit/Code/GraphMol/molopstest.cpp:7896	[]	void	[]
testIsRingFused in /src/rdkit/Code/GraphMol/molopstest.cpp:8590	[]	void	[]
mol_adjust_query_properties in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:435	[]	Datum	[]
testAdjustQueryProperties in /src/rdkit/Code/GraphMol/molopstest.cpp:5768	[]	void	[]
RDKit::Abbreviations::Utils::parseLinkers in /src/rdkit/Code/GraphMol/Abbreviations/Abbreviations.h:95	['std::string']	std::vector	[]
JSMolBase::condense_abbreviations in /src/rdkit/Code/MinimalLib/minilib.cpp:485	['double', 'bool']	std::string	[]
JSMolBase::condense_abbreviations_from_defs in /src/rdkit/Code/MinimalLib/minilib.cpp:497	['std::string', 'double', 'bool']	std::string	[]
mol_to_xqmol in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:475	[]	Datum	[]
RDKit::adjustQueryPropertiesHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:880	['ROMol', 'python::object']	ROMol	[]
testGenericQueries in /src/rdkit/Code/GraphMol/GenericGroups/generic_tests.cpp:836	[]	void	[]
RDDepict::prepareTemplateForRGroups in /src/rdkit/Code/GraphMol/Depictor/DepictUtils.cpp:542	['RDKit::RWMol']	std::unique_ptr	[]
test7a in /src/rdkit/Code/GraphMol/hanoitest.cpp:971	[]	void	[]
RDKit::ResonanceMolSupplier::assignBondsFormalCharges in /src/rdkit/Code/GraphMol/Resonance.cpp:1831	['std::vector ']	ROMol	[]
testAssignStereochemistryFrom3D in /src/rdkit/Code/GraphMol/testChirality.cpp:2667	[]	void	[]
TestAssignChiralTypesFromMolParity::TestAssignChiralTypesFromMolParity in /src/rdkit/Code/GraphMol/testChirality.cpp:2800	['ROMol']	void	[]
testIssue164 in /src/rdkit/Code/GraphMol/testPickler.cpp:150	[]	void	[]
MolOps::Hybridizations::Hybridizations(constROMol&mol) in /src/rdkit/Code/GraphMol/MolOps.cpp:459	['ROMol']	void	[]
testGetMolFrags in /src/rdkit/Code/GraphMol/molopstest.cpp:5496	[]	void	[]
RDKit::RxnMolToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/MoleculeParser.cpp:71	['ROMol']	ChemicalReaction	[]
RDKit::addReactionToPNGStringHelper in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:490	['ChemicalReaction', 'python::object', 'bool', 'bool', 'bool', 'bool']	python::object	[]
RDKit::addReactionToPNGFileHelper in /src/rdkit/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:504	['ChemicalReaction', 'python::object', 'bool', 'bool', 'bool', 'bool']	python::object	[]
RDKit::addReactionMetadata in /src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp:266	['ChemicalReaction', 'std::vector >']	void	[]
RDKit::ChemicalReactionToCXRxnSmarts in /src/rdkit/Code/GraphMol/ChemReactions/ReactionWriter.cpp:157	['ChemicalReaction', 'SmilesWriteParams', 'std::uint32_t']	std::string	[]
RDKit::ChemicalReactionToCXRxnSmiles in /src/rdkit/Code/GraphMol/ChemReactions/ReactionWriter.cpp:164	['ChemicalReaction', 'SmilesWriteParams', 'std::uint32_t']	std::string	[]
RDKit::v1::RxnSmartsToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:114	['std::string']	ChemicalReaction	[]
operator""_rxnsmarts(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:391	['char*', 'size_t']	std::unique_ptr	[]
RDKit::v1::PNGStringToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:339	['std::string']	ChemicalReaction	[]
RDKit::v1::PNGFileToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:344	['std::string']	ChemicalReaction	[]
RDKit::v1::PNGStreamToChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:334	['std::istream']	ChemicalReaction	[]
operator""_rxnsmiles(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/ChemReactions/ReactionParser.h:402	['char*', 'size_t']	std::unique_ptr	[]
~Tempfile() in /src/rdkit/External/YAeHMOP/EHTTools.cpp:53	[]	void	[]
RDKit::MolStandardize::LargestFragmentChooser::choose in /src/rdkit/Code/GraphMol/MolStandardize/Fragment.cpp:181	['ROMol']	ROMol	[]
RDKit::MolStandardize::FragmentValidation::validate in /src/rdkit/Code/GraphMol/MolStandardize/Validate.cpp:87	['ROMol', 'bool']	std::vector	[]
RDKit::MolStandardize::Normalizer::normalize in /src/rdkit/Code/GraphMol/MolStandardize/Normalize.cpp:156	['ROMol']	ROMol	[]
RDKit::MolHash::SplitMolecule in /src/rdkit/Code/GraphMol/MolHash/normalize.cpp:53	['RWMol*', 'std::vector ']	void	[]
testFragmentOnSomeBonds in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1815	[]	void	[]
RDKit::deleteSubstructs in /src/rdkit/Code/GraphMol/ChemTransforms/ChemTransforms.cpp:103	['ROMol', 'ROMol', 'bool', 'bool']	ROMol	[]
maccs_fp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:327	[]	Datum	[]
testMACCS in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2301	[]	void	[]
testGitHubIssue195 in /src/rdkit/Code/GraphMol/Fingerprints/test1.cpp:2845	[]	void	[]
test_fingerprints in /src/rdkit/Code/MinimalLib/cffi_test.c:648	[]	void	[]
test_partial_sanitization in /src/rdkit/Code/MinimalLib/cffi_test.c:2151	[]	void	[]
JSMolBase::get_maccs_fp in /src/rdkit/Code/MinimalLib/minilib.cpp:284	[]	std::string	[]
get_maccs_fp_as_uint8array in /src/rdkit/Code/MinimalLib/jswrapper.cpp:335	['JSMolBase']	emscripten::val	[]
RDKit::MolFragmentToCXSmiles in /src/rdkit/Code/GraphMol/SmilesParse/SmilesWrite.cpp:1026	['ROMol', 'SmilesWriteParams', 'std::vector ', 'std::vector ', 'std::vector ', 'std::vector *']	std::string	[]
computeNMMolHash in /src/rdkit/Code/PgSQL/rdkit/adapter.cpp:2124	['CROMol', 'char*']	char	[]
MolHashHelper in /src/rdkit/Code/GraphMol/MolHash/Wrap/rdMolHash.cpp:20	['ROMol', 'MolHash::HashFunction', 'bool', 'unsigned']	std::string	[]
RDMolecule::GetSmiles in /src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDMolImpl.cpp:38	['char**']	NS_IMETHODIMP	[]
RDKit::pickCanonical in /src/rdkit/Code/GraphMol/MolStandardize/Tautomer.h:394	['Iterable']	ROMol	[]
RDKit::MolToText in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupUtils.cpp:140	['ROMol']	std::string	[]
RDKit::addFingerprintToRGroupData in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp:49	['RGroupData*']	void	[]
RDKit::MolToRandomSmilesHelper in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:549	['ROMol', 'unsigned int', 'unsigned int', 'bool', 'bool', 'bool', 'bool']	python::list	[]
fragmentMolHelper in /src/rdkit/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp:20	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'std::string', 'bool']	python::tuple	[]
fragmentMolHelper2 in /src/rdkit/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp:49	['RDKit::ROMol', 'unsigned int', 'unsigned int', 'unsigned int', 'std::string', 'bool']	python::tuple	[]
fragmentMolHelper3 in /src/rdkit/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp:79	['RDKit::ROMol', 'python::object', 'unsigned int', 'unsigned int', 'bool']	python::tuple	[]
testCarboxylicAcids in /src/rdkit/Code/GraphMol/StructChecker/testStructChecker.cpp:801	[]	void	[]
RDKit::Add2DCoordsToMol in /src/rdkit/Code/GraphMol/Depictor/Basement/Depictor.cpp:35	['ROMol', 'bool']	int	[]
testEEM2 in /src/rdkit/Code/GraphMol/Descriptors/testEEM.cpp:109	[]	void	[]
testSeq in /src/rdkit/Code/GraphMol/FileParsers/testSequence.cpp:36	['char*']	void	[]
testHELM in /src/rdkit/Code/GraphMol/FileParsers/testSequence.cpp:45	['char*']	void	[]
RDKit::addMoleculeMetadata in /src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp:240	['ROMol', 'int', 'std::vector >', 'unsigned']	void	[]
testOneAtropisomersCanon in /src/rdkit/Code/GraphMol/SmilesParse/cxsmiles_test.cpp:854	['SmilesTest*']	void	[]
RDKit::canonicalizeStereoGroupsHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:907	['ROMol', 'RDKit::StereoGroupAbsOptions', 'unsigned int']	ROMol	[]
RDKit::addMolToPNGStringHelper in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:608	['ROMol', 'python::object', 'bool', 'bool', 'bool']	python::object	[]
RDKit::addMolToPNGFileHelper in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:596	['ROMol', 'python::object', 'bool', 'bool', 'bool']	python::object	[]
RDKit::GetMolFrags in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:617	['ROMol', 'bool', 'bool']	python::tuple	[]
largestFragmentOnly in /src/rdkit/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp:40	['RDKit::RascalMCES::RascalResult']	void	[]
RDKit::RascalMCES::RascalResult::trimSmallFrags in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:148	['unsigned int']	void	[]
RDKit::RascalMCES::RascalResult::applyMaxFragSep in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:386	[]	void	[]
RDKit::RascalMCES::RascalResult::getLargestFragSize in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:658	[]	unsigned int	[]
RDKit::RascalMCES::RascalResult::getNumFrags in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:616	[]	int	[]
RDKit::rascalClusterWrapper in /src/rdkit/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp:126	['python::object', 'python::object']	python::list	[]
RDKit::findMCESWrapper in /src/rdkit/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp:82	['ROMol', 'ROMol', 'python::object']	python::list	[]
RDKit::SynthonSpaceSearch::SynthonSpaceRascalSearcher::verifyHit in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.cpp:180	['ROMol']	bool	[]
RDKit::StructureCheck::StripSmallFragments in /src/rdkit/Code/GraphMol/StructChecker/StripSmallFragments.cpp:39	['RWMol', 'bool']	bool	[]
testValidRingSystemTemplates in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:1781	[]	void	[]
RDDepict::CoordinateTemplates::setRingSystemTemplates in /src/rdkit/Code/GraphMol/Depictor/Templates.cpp:85	['std::string']	void	[]
RDDepict::CoordinateTemplates::addRingSystemTemplates in /src/rdkit/Code/GraphMol/Depictor/Templates.cpp:96	['std::string']	void	[]
RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::search in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp:53	[]	SearchResults	[]
RDKit::SynthonSpaceSearch::SynthonSpaceSubstructureSearcher::extraSearchSetup in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp:216	['std::vector >>']	void	[]
RDKit::SynthonSpaceSearch::SynthonSet::makeSynthonSearchMols in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp:266	[]	void	[]
RDKit::SynthonSpaceSearch::Synthon::setSearchMol in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/Synthon.cpp:111	['std::unique_ptr ']	void	[]
RDKit::MolEnumerator::LinkNodeOp::initFromMol in /src/rdkit/Code/GraphMol/MolEnumerator/LinkNode.cpp:32	[]	void	[]
testFragmentation in /src/rdkit/Code/GraphMol/FileParsers/file_parsers_catch.cpp:7156	['FragTest']	void	[]
test_get_mol_frags in /src/rdkit/Code/MinimalLib/cffi_test.c:1339	[]	void	[]
JSMolBase::get_frags in /src/rdkit/Code/MinimalLib/minilib.cpp:550	['std::string']	std::pair	[]
testMolFragsWithQuery in /src/rdkit/Code/GraphMol/molopstest.cpp:5191	[]	void	[]
RDKit::splitMolByPDBResidues in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:209	['ROMol', 'python::object', 'bool']	python::dict	[]
RDKit::splitMolByPDBChainId in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:233	['ROMol', 'python::object', 'bool']	python::dict	[]
RunTests in /src/rdkit/Code/GraphMol/FileParsers/test1.cpp:5425	[]	void	[]
testMisc in /src/rdkit/Code/GraphMol/test1.cpp:431	[]	void	[]
testDegree in /src/rdkit/Code/GraphMol/test1.cpp:513	[]	void	[]
testIssue2381580 in /src/rdkit/Code/GraphMol/test1.cpp:624	[]	void	[]
testIssue2840217 in /src/rdkit/Code/GraphMol/test1.cpp:761	[]	void	[]
testGithub1843 in /src/rdkit/Code/GraphMol/test1.cpp:1592	[]	void	[]
testSMILES in /src/rdkit/Code/GraphMol/memtest1.cpp:38	[]	void	[]
testMol in /src/rdkit/Code/GraphMol/memtest1.cpp:69	[]	void	[]
RDKit::v2::MarvinParser::MarvinCMLReader::parseReaction in /src/rdkit/Code/GraphMol/MarvinParse/MarvinParser.cpp:92	['boost::property_tree::ptree', 'boost::property_tree::ptree']	std::unique_ptr	[]
RDKit::RxnOps::sanitizeRxnAsMols in /src/rdkit/Code/GraphMol/ChemReactions/SanitizeRxn.cpp:415	['ChemicalReaction', 'unsigned int']	void	[]
test4MultipleProducts in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:351	[]	void	[]
test15Issue1882749 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:1484	[]	void	[]
test17Issue1920627 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:1712	[]	void	[]
test19Issue2050085 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2113	[]	void	[]
test20BondQueriesInProduct in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2155	[]	void	[]
test21Issue2540021 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2245	[]	void	[]
test22DotsToRemoveBonds in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2319	[]	void	[]
test23Pickling in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2366	[]	void	[]
test28RxnDepictor in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:2887	[]	void	[]
test41Github233 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:3999	[]	void	[]
test49ParensInProducts2 in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:4759	[]	void	[]
test54RedundantProductMappingNumbersAndRSChirality in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:5094	[]	void	[]
test55RedundantProductMappingNumbersAndEZStereochemistry in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:5376	[]	void	[]
testDblBondCrash in /src/rdkit/Code/GraphMol/ChemReactions/testReaction.cpp:7317	[]	void	[]
RDKit::removeNonmatchingReagents in /src/rdkit/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp:114	['ChemicalReaction', 'BBS', 'EnumerationParams']	BBS	[]
testChargedAromatics in /src/rdkit/Code/GraphMol/MolStandardize/testCharge.cpp:221	[]	void	[]
RDKit::MolStandardize::Operations::prepareForValidation in /src/rdkit/Code/GraphMol/MolStandardize/Pipeline.cpp:149	['RWMOL_SPTR', 'PipelineResult']	RWMOL_SPTR	[]
RDKit::MolStandardize::Operations::prepareForStandardization in /src/rdkit/Code/GraphMol/MolStandardize/Pipeline.cpp:268	['RWMOL_SPTR', 'PipelineResult']	RWMOL_SPTR	[]
RDKit::MolStandardize::Normalizer::normalizeInPlace in /src/rdkit/Code/GraphMol/MolStandardize/Normalize.cpp:96	['RWMol']	void	[]
testEnumerateTautomerSmiles in /src/rdkit/Code/GraphMol/MolStandardize/test1.cpp:614	[]	void	[]
testMetalDisconnector in /src/rdkit/Code/GraphMol/MolStandardize/test1.cpp:113	[]	void	[]
testMetalDisconnectorLigandExpo in /src/rdkit/Code/GraphMol/MolStandardize/test1.cpp:625	[]	void	[]
RDKit::MolStandardize::TautomerEnumerator::enumerate in /src/rdkit/Code/GraphMol/MolStandardize/Tautomer.cpp:247	['ROMol']	TautomerEnumeratorResult	[]
testMurckoDecomp in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1062	[]	void	[]
testFragmentOnBRICSBonds in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1662	[]	void	[]
testGithubIssue429 in /src/rdkit/Code/GraphMol/ChemTransforms/testChemTransforms.cpp:1877	[]	void	[]
RDKit::RCore::extractCoreFromMolMatch in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupCore.cpp:67	['ROMol', 'MatchVectType', 'RGroupDecompositionParameters']	RWMOL_SPTR	[]
testForceTransAmides in /src/rdkit/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp:2270	[]	void	[]
testGithub983 in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:1942	[]	void	[]
test10DrawSecondMol in /src/rdkit/Code/GraphMol/MolDraw2D/test1.cpp:2278	[]	void	[]
inorganicSanitize in /src/rdkit/Code/GraphMol/SmilesParse/nontetrahedral_tests.cpp:27	['RDKit::RWMol']	void	[]
testSmiles1 in /src/rdkit/Code/GraphMol/testChirality.cpp:336	[]	void	[]
testChiralityCleanup in /src/rdkit/Code/GraphMol/testChirality.cpp:727	[]	void	[]
testGithub608 in /src/rdkit/Code/GraphMol/test1.cpp:1318	[]	void	[]
testGithub6370 in /src/rdkit/Code/GraphMol/test1.cpp:1699	[]	void	[]
RDMIF::HBond::HBond in /src/rdkit/Code/GraphMol/MolInteractionFields/MIFDescriptors.cpp:614	['RDKit::ROMol', 'int', 'std::string', 'bool', 'double']	void	[]
testIssue256 in /src/rdkit/Code/GraphMol/SmilesParse/test.cpp:1563	[]	void	[]
fmcs_smiles in /src/rdkit/Code/PgSQL/rdkit/mol_op.c:503	[]	Datum	[]
RDKitImpl::MolFromSmiles in /src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDKitImpl.cpp:25	['char', 'IRDMolecule*']	NS_IMETHODIMP	[]
smilesToBlob in /src/rdkit/Code/Demos/sqlite/rdk_funcs.cpp:146	['sqlite3_context', 'int', 'sqlite3_value*']	void	[]
test10 in /src/rdkit/Code/GraphMol/SLNParse/test.cpp:1188	[]	void	[]
test12 in /src/rdkit/Code/GraphMol/SLNParse/test.cpp:1268	[]	void	[]
testIssue277 in /src/rdkit/Code/GraphMol/SLNParse/test.cpp:1712	[]	void	[]
RDKitSV::RDKitSVMainWindow::RDKitSVMainWindow in /src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/RDKitSVMainWindow.cc:51	['int', 'char**']	void	[]
RDKitSV::RDKitSVMainWindow::slot_read_mols in /src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/RDKitSVMainWindow.cc:484	[]	void	[]
operator""_smiles(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/SmilesParse/SmilesParse.h:237	['char*', 'size_t']	std::unique_ptr	[]
testKappa2 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:1390	[]	void	[]
testKappa3 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:1443	[]	void	[]
RDKit::v2::FileParsers::TDTMolSupplier::next in /src/rdkit/Code/GraphMol/FileParsers/TDTMolSupplier.cpp:263	[]	std::unique_ptr	[]
RDKit::sanitizeMol in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:403	['ROMol', 'boost::uint64_t', 'bool']	MolOps::SanitizeFlags	[]
RDKit::RascalMCES::RascalResult::getMcesMol in /src/rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp:678	[]	std::shared_ptr	[]
testUFFBatch in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:575	[]	void	[]
testUFFBuilderSpecialCases in /src/rdkit/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:623	[]	void	[]
RDKit::SanitizeMMFFMol in /src/rdkit/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:133	['ROMol']	unsigned int	[]
RDKit::ScaffoldNetwork::createScaffoldNetwork in /src/rdkit/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h:140	['T', 'ScaffoldNetworkParams']	ScaffoldNetwork	[]
testGitHubIssue92 in /src/rdkit/Code/GraphMol/Descriptors/test.cpp:1655	[]	void	[]
RDKit::SynthonSpaceSearch::SynthonSet::enumerateToStream in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp:192	['std::ostream']	void	[]
RDKit::SynthonSpaceSearch::SynthonSet::buildAddAndSubtractFPs in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp:444	['FingerprintGenerator ', 'unsigned int']	void	[]
RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::buildAndVerifyHit in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp:84	['SynthonSpaceHitSet*', 'std::vector ']	std::unique_ptr	[]
RDKit::SynthonSpaceSearch::buildSampleMolecules in /src/rdkit/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp:221	['std::vector >>', 'size_t', 'SynthonSet']	std::vector >	[]
RDKit::determineBonds in /src/rdkit/Code/GraphMol/DetermineBonds/DetermineBonds.cpp:495	['RWMol', 'bool', 'int', 'double', 'bool', 'bool', 'bool', 'bool', 'size_t']	void	[]
testSDMemoryCorruption in /src/rdkit/Code/GraphMol/FileParsers/testMolWriter.cpp:496	[]	void	[]
MolAtropTest::RunTests in /src/rdkit/Code/GraphMol/FileParsers/testAtropisomers.cpp:336	[]	void	[]
RDKit::v2::FileParsers::build_mol in /src/rdkit/Code/GraphMol/FileParsers/MaeMolSupplier.cpp:452	['RWMol', 'mae::Block', 'bool', 'bool']	void	[]
RDKit::ParseV3000RxnBlock in /src/rdkit/Code/GraphMol/ChemReactions/MDLParser.cpp:177	['std::istream', 'unsigned int', 'MolFileParserParams', 'std::unique_ptr ']	void	[]
RDKit::v2::FileParsers::MolFromSCSRBlock in /src/rdkit/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp:1303	['std::string', 'MolFileParserParams', 'MolFromSCSRParams']	std::unique_ptr	[]
RDKit::MolFromSCSRFile in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:200	['std::string', 'bool', 'bool', 'python::object']	RDKit::ROMol	[]
RDKit::MolFromSCSRBlock in /src/rdkit/Code/GraphMol/Wrap/rdmolfiles.cpp:174	['std::string', 'bool', 'bool', 'python::object']	RDKit::ROMol	[]
RDKit::v2::FileParsers::MolFromSCSRMolConverter::convert in /src/rdkit/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp:770	[]	std::unique_ptr	[]
RDKit::MolStandardize::Operations::parse in /src/rdkit/Code/GraphMol/MolStandardize/Pipeline.cpp:95	['std::string', 'PipelineResult', 'PipelineOptions']	RWMOL_SPTR	[]
testMolFileGithub8265 in /src/rdkit/Code/GraphMol/FileParsers/testMolWriter.cpp:1633	[]	void	[]
RDKit::v1::MolBlockToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:157	['std::string']	RWMol	[]
operator""_ctab(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:492	['char*', 'size_t']	std::unique_ptr	[]
testIssue3525000 in /src/rdkit/Code/GraphMol/FileParsers/testMolWriter.cpp:550	[]	void	[]
testConstrainedCoords in /src/rdkit/Code/GraphMol/Depictor/testDepictor.cpp:836	[]	void	[]
testPBFEdges in /src/rdkit/Code/GraphMol/Descriptors/testPBF.cpp:56	[]	void	[]
RDKit::v2::FileParsers::MultithreadedSDMolSupplier::processMoleculeRecord in /src/rdkit/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.cpp:246	['std::string', 'unsigned int']	RWMol	[]
RDKit::v1::Mol2BlockToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:355	['std::string']	RWMol	[]
operator""_mol2(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:501	['char*', 'size_t']	std::unique_ptr	[]
RDKit::v1::Mol2FileToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:303	['std::string']	RWMol	[]
testIssue114 in /src/rdkit/Code/GraphMol/FileParsers/testMol2ToMol.cpp:312	['std::string']	void	[]
RDKit::v1::TPLDataStreamToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:224	['std::istream*', 'unsigned int']	RWMol	[]
RDKit::v1::TPLFileToMol in /src/rdkit/Code/GraphMol/FileParsers/FileParsers.h:248	['std::string']	RWMol	[]
RDKit::parsePdbBlock in /src/rdkit/Code/GraphMol/FileParsers/PDBParser.cpp:549	['char*', 'bool', 'bool', 'unsigned int', 'bool']	std::unique_ptr	[]
RDKit::DeprotectWrap in /src/rdkit/Code/GraphMol/Deprotect/Wrap/DeprotectWrap.cpp:18	['ROMol', 'python::object']	boost::shared_ptr	[]
RDKit::DeprotectInPlaceWrap in /src/rdkit/Code/GraphMol/Deprotect/Wrap/DeprotectWrap.cpp:29	['ROMol', 'python::object']	bool	[]
RDKit::setAromaticityMol in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:451	['ROMol', 'MolOps::AromaticityModel']	void	[]
JSMolBase::convert_to_aromatic_form in /src/rdkit/Code/MinimalLib/minilib.cpp:364	[]	void	[]
JSMolBase::get_aromatic_form in /src/rdkit/Code/MinimalLib/minilib.cpp:369	[]	std::string	[]
RDKit::RWMol::insertMol in /src/rdkit/Code/GraphMol/RWMol.cpp:144	['ROMol']	void	[]
FindRings::findRingConnectingAtoms in /src/rdkit/Code/GraphMol/FindRings.cpp:792	['ROMol', 'Bond*', 'VECT_INT_VECT', 'RINGINVAR_SET', 'boost::dynamic_bitset<>', 'boost::dynamic_bitset<>']	bool	[]
RDKit::detectChemistryProblemsHelper in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:897	['ROMol', 'unsigned int']	python::tuple	[]
testBondDirRemoval in /src/rdkit/Code/GraphMol/testChirality.cpp:1653	[]	void	[]
RDKit::molToSmarts in /src/rdkit/Code/GraphMol/SmilesParse/SmartsWrite.cpp:827	['ROMol', 'SmilesWriteParams', 'std::vector ', 'boost::dynamic_bitset<>*']	std::string	[]
RDKit::SmartsMatcher::getMatches in /src/rdkit/Code/GraphMol/FilterCatalog/FilterMatchers.cpp:86	['ROMol', 'std::vector ']	bool	[]
RDKit::SetOffPatterns in /src/rdkit/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp:65	['ExclusionList', 'boost::python::object']	void	[]
RDKit::ChemicalReaction in /src/rdkit/Code/GraphMol/ChemReactions/Reaction.h:151	['ChemicalReaction']	void	[]
&operator=(constChemicalReaction&other) in /src/rdkit/Code/GraphMol/ChemReactions/Reaction.h:152	['ChemicalReaction']	ChemicalReaction	[]
RDKit::EnumerateLibraryBase::resetState in /src/rdkit/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp:81	[]	void	[]
getMolVSValidation in /src/rdkit/Code/GraphMol/MolStandardize/Wrap/Validate.cpp:46	['python::object']	MolStandardize::MolVSValidation	[]
getAllowedAtomsValidation in /src/rdkit/Code/GraphMol/MolStandardize/Wrap/Validate.cpp:62	['python::object']	MolStandardize::AllowedAtomsValidation	[]
getDisallowedAtomsValidation in /src/rdkit/Code/GraphMol/MolStandardize/Wrap/Validate.cpp:75	['python::object']	MolStandardize::DisallowedAtomsValidation	[]
layered_fp in /src/rdkit/Code/PgSQL/rdkit/bfp_op.c:219	[]	Datum	[]
RDKit::wrapLayeredFingerprint in /src/rdkit/Code/GraphMol/Wrap/MolOps.cpp:621	['ROMol', 'unsigned int', 'unsigned int', 'unsigned int', 'unsigned int', 'python::list', 'ExplicitBitVect*', 'bool', 'python::object']	ExplicitBitVect	[]
RDKit::MorganFingerprint::MorganEnvGenerator ::getEnvironments in /src/rdkit/Code/GraphMol/Fingerprints/MorganGenerator.cpp:177	['ROMol', 'FingerprintArguments', 'std::vector ', 'std::vector ', 'std::vector ']	std::vector *>	[]
RDKit::RDKitFP::RDKitFPEnvGenerator ::getEnvironments in /src/rdkit/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp:132	['ROMol', 'FingerprintArguments', 'std::vector ', 'std::vector *']	std::vector *>	[]
RDKit::RGroupData::add in /src/rdkit/Code/GraphMol/RGroupDecomposition/RGroupData.cpp:71	['ROMOL_SPTR', 'std::vector ']	void	[]
RDKit::getDashString in /src/rdkit/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp:216	['DashPattern']	std::string	[]
testHasValenceViolation in /src/rdkit/Code/GraphMol/test1.cpp:1605	[]	void	[]
RDMolecule::GetSmartsMatchCount in /src/rdkit/Code/Demos/RDKit/Basement/xpcom/RDMolImpl.cpp:47	['char', 'PRUint32']	NS_IMETHODIMP	[]
molHasSubstruct in /src/rdkit/Code/Demos/sqlite/rdk_funcs.cpp:166	['sqlite3_context', 'int', 'sqlite3_value*']	void	[]
molSubstructCount in /src/rdkit/Code/Demos/sqlite/rdk_funcs.cpp:200	['sqlite3_context', 'int', 'sqlite3_value*']	void	[]
RDKit::MorganFingerprints::ss_matcher::ss_matcher in /src/rdkit/Code/GraphMol/Fingerprints/FingerprintUtil.cpp:196	['std::string']	void	[]
RDKitSV::RDKitSVMainWindow::slot_match_smarts in /src/rdkit/Code/GraphMol/MolDraw2D/Qt/Demo/RDKitSVMainWindow.cc:517	[]	void	[]
RDKit::ss_matcher::ss_matcher in /src/rdkit/Code/GraphMol/Descriptors/USRDescriptor.cpp:136	['std::string']	void	[]
operator""_smarts(constchar*text, size_tlen) in /src/rdkit/Code/GraphMol/SmilesParse/SmilesParse.h:246	['char*', 'size_t']	std::unique_ptr	[]
check_smarts_ok in /src/rdkit/Code/GraphMol/RascalMCES/LONG_TEST_mces_catch.cpp:31	['RDKit::ROMol', 'RDKit::ROMol', 'RascalResult']	void	[]
testGithub8201 in /src/rdkit/Code/GraphMol/ReducedGraphs/test1.cpp:191	[]	void	[]
GetErGFingerprintHelper in /src/rdkit/Code/GraphMol/ReducedGraphs/Wrap/rdReducedGraphs.cpp:55	['RDKit::ROMol', 'python::object', 'double', 'int', 'int']	PyObject	[]
GenerateErGFingerprintForReducedGraphHelper in /src/rdkit/Code/GraphMol/ReducedGraphs/Wrap/rdReducedGraphs.cpp:37	['RDKit::ROMol', 'python::object', 'double', 'int', 'int']	PyObject	[]
showFeatTree in /src/rdkit/Code/GraphMol/Basement/FeatTrees/testFeatTrees.cpp:25	['FeatTreeGraph']	void	[]
testCoulombMat1 in /src/rdkit/Code/GraphMol/Descriptors/testCoulombMat.cpp:40	[]	void	[]
testMORSE in /src/rdkit/Code/GraphMol/Descriptors/testMORSE.cpp:23	[]	void	[]
testMORSEcustom in /src/rdkit/Code/GraphMol/Descriptors/testRDFcustom.cpp:96	[]	void	[]
calcMORSEs in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:178	['RDKit::ROMol', 'int', 'std::string']	python::list	[]
testRDFcustom in /src/rdkit/Code/GraphMol/Descriptors/testRDFcustom.cpp:30	[]	void	[]
testRDF in /src/rdkit/Code/GraphMol/Descriptors/testRDF.cpp:23	[]	void	[]
calcRDFs in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:167	['RDKit::ROMol', 'int', 'std::string']	python::list	[]
CalcSlogPVSA in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:776	['RDKit::ROMol', 'python::object', 'bool']	python::list	[]
CalcSMRVSA in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:797	['RDKit::ROMol', 'python::object', 'bool']	python::list	[]
CalcPEOEVSA in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:818	['RDKit::ROMol', 'python::object', 'bool']	python::list	[]
RDKit::calcMoments in /src/rdkit/Code/GraphMol/Descriptors/USRDescriptor.cpp:96	['std::vector ', 'std::vector ', 'int']	void	[]
GetUSRCAT in /src/rdkit/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:735	['RDKit::ROMol', 'python::object', 'int']	python::list	[]
RDKit::v2::FileParsers::SDMolSupplier::setStreamIndices in /src/rdkit/Code/GraphMol/FileParsers/SDMolSupplier.cpp:267	['std::vector ']	void	[]
RDKit::ParseMolBlockProperties in /src/rdkit/Code/GraphMol/FileParsers/MolFileParser.cpp:1905	['std::istream', 'unsigned int', 'RWMol', 'bool']	bool	[]
RDKit::ParseV3000AtomBlock in /src/rdkit/Code/GraphMol/FileParsers/MolFileParser.cpp:2519	['std::istream', 'unsigned int', 'unsigned int', 'RWMol', 'Conformer*', 'bool', 'bool']	void	[]
RDKit::ParseV3000BondBlock in /src/rdkit/Code/GraphMol/FileParsers/MolFileParser.cpp:2650	['std::istream', 'unsigned int', 'unsigned int', 'RWMol', 'bool']	void	[]
stable_norm in /src/eigen/test/stable_norm.cpp:18	['MatrixType']	void	[]
test_empty_slice in /src/eigen/unsupported/test/cxx11_tensor_morphing.cpp:472	[]	void	[]
&operator<<(std::ostream&os,constTensorWithFormat &wf) in /src/eigen/unsupported/Eigen/CXX11/src/Tensor/TensorIO.h:146	['std::ostream', 'TensorWithFormat ']	std::ostream	[]

Table of contents

Project overview: rdkit

High level conclusions

Reachability and coverage overview

Fuzzers overview

Project functions overview

Fuzzer details

Fuzzer: rdkit/Code/Fuzz/mol_data_stream_to_mol_fuzzer.cc

Call tree

Fuzzer: rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc

Call tree

Fuzzer: rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc

Call tree

Analyses and suggestions

Optimal target analysis

Remaining optimal interesting functions

All functions overview

Fuzz engine guidance

rdkit/Code/Fuzz/mol_data_stream_to_mol_fuzzer.cc

Dictionary

rdkit/Code/Fuzz/smiles_string_to_mol_fuzzer.cc

Dictionary

rdkit/Code/Fuzz/mol_deserialization_fuzzer.cc

Dictionary

Runtime coverage analysis

Fuzz driver synthesis

New fuzzers

Files and Directories in report

Files in report

Directories in report

Function call coverage

Function in each files in report

Metadata section

Sink analyser for CWEs

Sink functions/methods found for CWE787

Sink functions/methods found for CWE416

Sink functions/methods found for CWE20

Sink functions/methods found for CWE22