Package Chem :: Module ChemicalFeatures
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Module ChemicalFeatures

source code

Functions [hide private]
 
MCFF_GetFeaturesForMol(self, mol, includeOnly='') source code
 
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(...)

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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