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)