File: ChemicalFeatures.py

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#
#  Copyright (C) 2006  greg Landrum and Rational Discovery LLC
#
#   @@ All Rights Reserved @@
#  This file is part of the RDKit.
#  The contents are covered by the terms of the BSD license
#  which is included in the file license.txt, found at the root
#  of the RDKit source tree.
#
from rdkit.Chem.rdChemicalFeatures import *
from rdkit.Chem.rdMolChemicalFeatures import *


def MCFF_GetFeaturesForMol(self, mol, includeOnly="", confId=-1):
  res = []
  count = self.GetNumMolFeatures(mol, includeOnly=includeOnly)
  for i in range(count):
    res.append(self.GetMolFeature(mol, i, includeOnly=includeOnly, confId=confId))
  return tuple(res)


MolChemicalFeatureFactory.GetFeaturesForMol = MCFF_GetFeaturesForMol