Chem.rdMolChemicalFeatures

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(...) Construct a feature factory given a feature definition in a file... | source code
BuildFeatureFactoryFromString(...) Construct a feature factory given a feature definition block... | source code
GetAtomMatch(...) Returns an empty list if any of the features passed in share an atom. | source code

Function Details | [hide private]

### BuildFeatureFactory(...) | source code
    Construct a feature factory given a feature definition in a file
    C++ signature:
        BuildFeatureFactory(std::string) -> RDKit::MolChemicalFeatureFactory*

### BuildFeatureFactoryFromString(...) | source code
    Construct a feature factory given a feature definition block
    C++ signature:
        BuildFeatureFactoryFromString(std::string) -> RDKit::MolChemicalFeatureFactory*

### GetAtomMatch(...) | source code
    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:
        GetAtomMatch(boost::python::api::object featMatch, int maxAts=1024) -> boost::python::api::object