rdkit.Chem.FeatMaps.UnitTestFeatMapParser module — The RDKit 2016.09.1 documentation

# rdkit.Chem.FeatMaps.UnitTestFeatMapParser module

class `rdkit.Chem.FeatMaps.UnitTestFeatMapParser.` `TestCase`(methodName='runTest')

  Bases: `unittest.case.TestCase`

  `data` = '\n\nScoreMode=Best\nDirScoreMode=DotFullRange\n\nBeginParams\n family=Aromatic radius=2.5 width=1.0 profile=Triangle\n family=Acceptor radius=1.5\nEndParams\n\n# optional\nBeginPoints\n family=Acceptor pos=(1.0, 0.0, 5.0) weight=1.25 dir=(1, 1, 0)\n family=Aromatic pos=(0.0,1.0,0.0) weight=2.0 dir=(0,0,1) dir=(0,0,-1)\n family=Acceptor pos=(1.0,1.0,2.0) weight=1.25\nEndPoints\n\n'
  `test1Basics`()
  `test_FeatMapParser`()
  `test_ParseErrors`()

`rdkit.Chem.FeatMaps.UnitTestFeatMapParser.` `feq`(n1, n2, tol=1e-05)