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object --+
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??.instance --+
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MolChemicalFeatureFactory
Class to featurize a molecule
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Inherited from 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)
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GetFeatureFamilies( (MolChemicalFeatureFactory)arg1) -> tuple :
Get a tuple of feature types
C++ signature :
boost::python::tuple GetFeatureFamilies(RDKit::MolChemicalFeatureFactory)
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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::string='' [,bool=True]])
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GetNumFeatureDefs( (MolChemicalFeatureFactory)arg1) -> int :
Get the number of feature definitions
C++ signature :
int GetNumFeatureDefs(RDKit::MolChemicalFeatureFactory {lvalue})
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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::string=''])
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Raises an exception This class cannot be instantiated from Python
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helper for pickle
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