def test_init_with_zeolite_obj(self):
tmp_goo = PerfectZeolite.make('GOO')
z = PerfectZeolite.build_from_cif_with_labels('data/GOO.cif')
my_zeotype = PerfectZeolite(z)
print(os.getcwd())
# tests inheritance
self.assertIsInstance(my_zeotype, PerfectZeolite)
self.assertIsInstance(my_zeotype, Atoms)
# tests empty list attributes
# tests corretly defined parameters
self.assertEqual(my_zeotype._site_to_atom_indices,
z._site_to_atom_indices)
self.assertEqual(my_zeotype._atom_indices_to_site,
z._atom_indices_to_site)
self.assertEqual(my_zeotype.name, z.name)
self.assertEqual(my_zeotype.parent_zeotype, my_zeotype)
#tests atoms are there and behave the same
self.assertCountEqual(my_zeotype.get_tags(), z.get_tags())
self.assertCountEqual(my_zeotype.get_chemical_symbols(),
z.get_chemical_symbols())
self.assertNotEqual(id(my_zeotype.parent_zeotype),
id(z.parent_zeotype))
self.assertNotEqual(id(my_zeotype.index_mapper), id(z.index_mapper))
self.assertNotEqual(id(my_zeotype.index_mapper), id(z.parent_zeotype))
self.assertNotEqual(my_zeotype.index_mapper, None)
def test_init_with_atoms_obj(self):
tmp_goo = PerfectZeolite.make('GOO')
my_atoms = read('data/GOO.cif')
my_zeotype = PerfectZeolite(my_atoms)
# tests inheritance
self.assertIsInstance(my_zeotype, PerfectZeolite)
self.assertIsInstance(my_zeotype, Atoms)
# tests empty list attributes
# tests corretly defined parameters
self.assertEqual(my_zeotype._site_to_atom_indices, None)
self.assertEqual(my_zeotype._atom_indices_to_site, None)
self.assertEqual('parent', my_zeotype.name)
self.assertEqual(my_zeotype.parent_zeotype, my_zeotype)
#tests atoms are there and behave the same
self.assertCountEqual(my_zeotype.get_tags(), my_atoms.get_tags())
self.assertCountEqual(my_zeotype.get_chemical_symbols(),
my_atoms.get_chemical_symbols())