def test_parametrization_setter(self): top = Topology() assert top.typed == False assert top.is_typed() == False top.typed = True assert top.typed == True assert top.is_typed() == False
def test_parametrization(self): top = Topology() assert top.typed == False top.add_site(Site(atom_type=AtomType())) assert top.typed == True assert top.is_typed() == True assert top.typed == True
def test_topology_atom_type_changes(self): top = Topology() for i in range(100): site = Site(name='site{}'.format(i)) atom_type = AtomType(name='atom_type{}'.format(i % 10)) site.atom_type = atom_type top.add_site(site, update_types=False) top.update_topology() assert len(top.atom_types) == 10 top.sites[0].atom_type.name = 'atom_type_changed' assert id(top.sites[0].atom_type) == id(top.sites[10].atom_type) assert top.sites[10].atom_type.name == 'atom_type_changed' assert top.is_typed()