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)