def test_matrix(self):
args = Namespace(print_dopant=None,
matrix=[2, 2, 2],
poscar="POSCAR",
**self.kwargs)
copyfile(self.POSCARS_DIR / "POSCAR-MgO", "POSCAR")
self.assertIsNone(initial_setting(args))
def test_no_supercell(self):
args = Namespace(print_dopant=None,
matrix=None,
poscar="POSCAR",
supercell_set=False,
max_num_atoms=40,
**self.kwargs,
**self.kwargs_supercells)
copyfile(self.POSCARS_DIR / "POSCAR-MgO", "POSCAR")
self.assertFalse(initial_setting(args))
def test_print(self):
initial_setting(Namespace(print_dopant="H"))