Chem.ChemicalFeatures

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

     1  # $Id: ChemicalFeatures.py 2 2006-05-06 22:54:39Z 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