def test_constructor(self):
aug_inchi1 = AugmentedInChI('InChI=1S/foo')
self.assertTrue(aug_inchi1 == 'foo', aug_inchi1)
self.assertTrue(aug_inchi1.u_indices is None)
aug_inchi2 = AugmentedInChI('InChI=1S/foo')
self.assertTrue(aug_inchi2 == 'foo', aug_inchi2)
self.assertTrue(aug_inchi2.u_indices is None)
aug_inchi3 = AugmentedInChI('InChI=1S/foo/u1,3')
self.assertTrue(aug_inchi3 == 'foo/u1,3', aug_inchi3)
self.assertTrue(aug_inchi3.u_indices == [1, 3])
def test_reduce(self):
import pickle
aug_inchi = AugmentedInChI('InChI=1S/foo/u1,3')
aug_inchi2 = pickle.loads(pickle.dumps(aug_inchi))
self.assertTrue(aug_inchi == aug_inchi2)
self.assertTrue(aug_inchi.u_indices == aug_inchi2.u_indices)
def test_compare(self):
aug_inchi1 = AugmentedInChI('InChI=1S/foo')
aug_inchi2 = AugmentedInChI('InChI=1/foo')
self.assertTrue(aug_inchi1 == aug_inchi2)
self.assertTrue(not aug_inchi1 != aug_inchi2)