# $Id$ # # Copyright (C) 2006 greg Landrum and Rational Discovery LLC # # @@ All Rights Reserved @@ # This file is part of the RDKit. # The contents are covered by the terms of the BSD license # which is included in the file license.txt, found at the root # of the RDKit source tree. # from rdkit.Chem.rdMolChemicalFeatures import * from rdkit.Chem.rdChemicalFeatures import * def MCFF_GetFeaturesForMol(self,mol,includeOnly=""): res = [] count = self.GetNumMolFeatures(mol,includeOnly=includeOnly) for i in range(count): res.append(self.GetMolFeature(mol,i,includeOnly=includeOnly)) return tuple(res) MolChemicalFeatureFactory.GetFeaturesForMol = MCFF_GetFeaturesForMol