Source Code for Module rdkit.Chem.ChemicalFeatures

 1  # 
 2  #  Copyright (C) 2006  greg Landrum and Rational Discovery LLC 
 3  # 
 4  #   @@ All Rights Reserved @@ 
 5  #  This file is part of the RDKit. 
 6  #  The contents are covered by the terms of the BSD license 
 7  #  which is included in the file license.txt, found at the root 
 8  #  of the RDKit source tree. 
 9  # 
10  from rdkit.Chem.rdChemicalFeatures import * 
11  from rdkit.Chem.rdMolChemicalFeatures import * 
12   
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   
21   
22  MolChemicalFeatureFactory.GetFeaturesForMol = MCFF_GetFeaturesForMol 
23