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