rdkit.Chem.FunctionalGroups module — The RDKit 2016.09.1 documentation

# rdkit.Chem.FunctionalGroups module

`rdkit.Chem.FunctionalGroups.` `BuildFuncGroupHierarchy`(fileNm=None, data=None, force=False)

`rdkit.Chem.FunctionalGroups.` `CreateMolFingerprint`(mol, hierarchy)

class `rdkit.Chem.FunctionalGroups.` `FGHierarchyNode`(name, patt, smarts='', label='', rxnSmarts='', parent=None)

  Bases: `object`

  `children` = None
  `label` = ''
  `name` = ''
  `parent` = None
  `pattern` = None
  `removalReaction` = None
  `rxnSmarts` = ''
  `smarts` = ''

exception `rdkit.Chem.FunctionalGroups.` `FuncGroupFileParseError`

  Bases: `ValueError`