rdkit.Chem.UnitTestMCS module — The RDKit 2016.09.1 documentation

# rdkit.Chem.UnitTestMCS module

class `rdkit.Chem.UnitTestMCS.` `MCSTestCase`(methodName='runTest')

  Bases: `unittest.case.TestCase`

  `assert_result`(result, canceled=<object object>, numAtoms=<object object>, numBonds=<object object>, smarts=<object object>)
  `assert_search`(smiles, numAtoms, numBonds, smarts=<object object>, verbose=False, **kwargs)

`rdkit.Chem.UnitTestMCS.` `SELECT`(mols, *offsets)

class `rdkit.Chem.UnitTestMCS.` `TestAtomTypes`(methodName='runTest')

  Bases: `rdkit.Chem.UnitTestMCS.MCSTestCase`

  `test_atom_compare_any`()
  `test_atom_compare_any_bond_compare_any`()
  `test_atom_compare_default`()
  `test_atom_compare_elements`()
  `test_bond_compare_any`()

class `rdkit.Chem.UnitTestMCS.` `TestBondTypes`(methodName='runTest')

  Bases: `rdkit.Chem.UnitTestMCS.MCSTestCase`

  `test_atom_compare_any_bond_compare_any`()
  `test_atom_compare_elements_bond_compare_any`()
  `test_bond_compare_any`()
  `test_bond_compare_bondtypes`()
  `test_bond_compare_default`()

class `rdkit.Chem.UnitTestMCS.` `TestCompleteRingsOnly`(methodName='runTest')

  Bases: `rdkit.Chem.UnitTestMCS.MCSTestCase`

  `test_ring_only`()
  `test_ring_only_select_1_2`()
  `test_ring_only_select_1_3`()
  `test_ring_only_select_1_5`()
  `test_ring_only_select_1_7_any_atoms`()
  `test_ring_to_nonring_bond`()

class `rdkit.Chem.UnitTestMCS.` `TestIsotopes`(methodName='runTest')

  Bases: `rdkit.Chem.UnitTestMCS.MCSTestCase`

  `test_isotope_complete_ring_only`()
  `test_isotopes`()
  `test_without_isotope`()

class `rdkit.Chem.UnitTestMCS.` `TestRingMatchesRingOnly`(methodName='runTest')

  Bases: `rdkit.Chem.UnitTestMCS.MCSTestCase`

  `test_default`()
  `test_ring_only`()
  `test_ring_only_select_1_2`()
  `test_ring_only_select_1_3`()
  `test_ring_only_select_1_4`()
  `test_ring_only_select_1_5`()
  `test_ring_only_select_1_6`()
  `test_ring_only_select_1_7`()
  `test_ring_only_select_1_7_any_atoms`()
  `test_select_1_5`()
  `test_select_1_6`()

class `rdkit.Chem.UnitTestMCS.` `TestTimeout`(methodName='runTest')

  Bases: `rdkit.Chem.UnitTestMCS.MCSTestCase`

  `test_timeout`()
  `test_timeout_negative`()

class `rdkit.Chem.UnitTestMCS.` `TestValences`(methodName='runTest')

  Bases: `rdkit.Chem.UnitTestMCS.MCSTestCase`

  `test_valence_compare_default`()

class `rdkit.Chem.UnitTestMCS.` `TextMaximize`(methodName='runTest')

  Bases: `rdkit.Chem.UnitTestMCS.MCSTestCase`

  `test_maximize_bonds`()
  `test_maximize_default`()

`rdkit.Chem.UnitTestMCS.` `load_smiles`(text)