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Module containing from chemical feature and functions to generate the
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MolChemicalFeature Class to represent a chemical feature. |
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MolChemicalFeatureFactory Class to featurize a molecule |
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__package__ = None hash(x) |
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BuildFeatureFactory( (str)arg1) -> MolChemicalFeatureFactory : Construct a feature factory given a feature definition in a file C++ signature : RDKit::MolChemicalFeatureFactory* BuildFeatureFactory(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >) |
BuildFeatureFactoryFromString( (str)arg1) -> MolChemicalFeatureFactory : Construct a feature factory given a feature definition block C++ signature : RDKit::MolChemicalFeatureFactory* BuildFeatureFactoryFromString(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >) |
GetAtomMatch( (AtomPairsParameters)featMatch [, (int)maxAts=1024]) -> object : Returns an empty list if any of the features passed in share an atom. Otherwise a list of lists of atom indices is returned. C++ signature : boost::python::api::object GetAtomMatch(boost::python::api::object [,int=1024]) |
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