Source Code for Module rdkit.Chem.ChemicalFeatures

 1  # $Id: ChemicalFeatures.py 1528 2010-09-26 17:04:37Z glandrum $ 
 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 rdMolChemicalFeatures import * 
12  from 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