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object --+ | ??.instance --+ | MolChemicalFeatureFactory
Class to featurize a molecule
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Inherited from |
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GetFeatureDefs( (MolChemicalFeatureFactory)arg1) -> dict : Get a dictionary with SMARTS definitions for each feature type C++ signature : boost::python::dict GetFeatureDefs(RDKit::MolChemicalFeatureFactory) |
GetFeatureFamilies( (MolChemicalFeatureFactory)arg1) -> tuple : Get a tuple of feature types C++ signature : boost::python::tuple GetFeatureFamilies(RDKit::MolChemicalFeatureFactory) |
GetMolFeature( (MolChemicalFeatureFactory)arg1, (Mol)mol, (int)idx [, (str)includeOnly='' [, (bool)recompute=True]]) -> MolChemicalFeature : returns a particular feature (by index) C++ signature : boost::shared_ptr<RDKit::MolChemicalFeature> GetMolFeature(RDKit::MolChemicalFeatureFactory,RDKit::ROMol,int [,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >='' [,bool=True]]) |
GetNumFeatureDefs( (MolChemicalFeatureFactory)arg1) -> int : Get the number of feature definitions C++ signature : int GetNumFeatureDefs(RDKit::MolChemicalFeatureFactory {lvalue}) |
GetNumMolFeatures( (MolChemicalFeatureFactory)arg1, (Mol)mol [, (str)includeOnly='']) -> int : Get the number of features the molecule has C++ signature : int GetNumMolFeatures(RDKit::MolChemicalFeatureFactory,RDKit::ROMol [,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >='']) |
Raises an exception This class cannot be instantiated from Python
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