Package rdkit :: Package Chem :: Module ChemicalFeatures
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Source Code for Module rdkit.Chem.ChemicalFeatures

 1  # $Id$ 
 2  # 
 3  #  Copyright (C) 2006  greg Landrum and Rational Discovery LLC 
 4  # 
 5  #   @@ All Rights Reserved @@ 
 6  #  This file is part of the RDKit. 
 7  #  The contents are covered by the terms of the BSD license 
 8  #  which is included in the file license.txt, found at the root 
 9  #  of the RDKit source tree. 
10  # 
11  from rdkit.Chem.rdMolChemicalFeatures import * 
12  from rdkit.Chem.rdChemicalFeatures import * 
13   
14 -def MCFF_GetFeaturesForMol(self,mol,includeOnly=""):
15 res = [] 16 count = self.GetNumMolFeatures(mol,includeOnly=includeOnly) 17 for i in range(count): 18 res.append(self.GetMolFeature(mol,i,includeOnly=includeOnly)) 19 return tuple(res)
20 MolChemicalFeatureFactory.GetFeaturesForMol = MCFF_GetFeaturesForMol 21