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/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolChemicalFeatures/Wrap/
H A DMolChemicalFeatureFactory.cpp41 const ROMol &mol, std::string includeOnly = "") { in getNumMolFeatures()
47 const ROMol &mol, int idx, std::string includeOnly, in getMolFeature()
/dports/science/rdkit/rdkit-Release_2021_03_5/rdkit/Chem/
H A DChemicalFeatures.py14 def MCFF_GetFeaturesForMol(self, mol, includeOnly="", confId=-1): argument
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolChemicalFeatures/
H A DMolChemicalFeatureFactory.cpp27 const ROMol &mol, const char *includeOnly, int confId) const { in getFeaturesForMol() argument