rdkit.Chem.rdMolChemicalFeatures

Package rdkit :: Package Chem :: Module rdMolChemicalFeatures |
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# Module rdMolChemicalFeatures

    Module containing from chemical feature and functions to generate the

Classes | [hide private]
| MolChemicalFeature Class to represent a chemical feature.
| MolChemicalFeatureFactory Class to featurize a molecule

Functions | [hide private]
BuildFeatureFactory(...) BuildFeatureFactory( (str)arg1) -> MolChemicalFeatureFactory : Construct a feature factory given a feature definition in a file |
BuildFeatureFactoryFromString(...) BuildFeatureFactoryFromString( (str)arg1) -> MolChemicalFeatureFactory : Construct a feature factory given a feature definition block |
GetAtomMatch(...) GetAtomMatch( (AtomPairsParameters)featMatch [, (int)maxAts=1024]) -> object : Returns an empty list if any of the features passed in share an atom. |

Variables | [hide private]
| __package__ = `None` hash(x)

Function Details | [hide private]

### BuildFeatureFactory(...) |
    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(...) |
    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(...) |
    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])