def test_atom_every_field_set(self, full_atom_type, are_equivalent_atoms): atom = Atom( name="test_atom", label="test_label", position=[0.0, 0.0, 0.0], charge=1.5, mass=2.0, element=element_by_symbol("C"), atom_type=full_atom_type, ) atom_copy = Atom.parse_raw(atom.json()) assert are_equivalent_atoms(atom, atom_copy)
def test_atom_to_json_loop(self, typed_ethane, are_equivalent_atoms): atoms_to_test = typed_ethane.sites for atom in atoms_to_test: atom_json = atom.json() atom_copy = Atom.parse_raw(atom_json) assert are_equivalent_atoms(atom, atom_copy)