Chem.ChemicalFeatures

Package Chem :: Module ChemicalFeatures |
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# Source Code for Module Chem.ChemicalFeatures

     1  # $Id: ChemicalFeatures.py 746 2008-07-07 13:21:24Z glandrum $
     2  #
     3  #  Copyright (C) 2006  greg Landrum and Rational Discovery LLC
     4  #
     5  #   @@ All Rights Reserved  @@
     6  #
     7  from rdMolChemicalFeatures import *
     8  from rdChemicalFeatures import *
     9
    10 -def MCFF_GetFeaturesForMol(self,mol,includeOnly=""):
    11    res = []
    12    count = self.GetNumMolFeatures(mol,includeOnly=includeOnly)
    13    for i in range(count):
    14      res.append(self.GetMolFeature(mol,i,includeOnly=includeOnly))
    15    return tuple(res)
    16  MolChemicalFeatureFactory.GetFeaturesForMol = MCFF_GetFeaturesForMol
    17