def test_make_recommended_supercell(simple_cubic, simple_cubic_2x2x2, tmpdir):
tmpdir.chdir()
args = Namespace(unitcell=simple_cubic,
matrix=None,
min_num_atoms=8,
max_num_atoms=8)
make_supercell(args)
info = loadfn("supercell_info.json")
assert IStructure.from_file("SPOSCAR") == simple_cubic_2x2x2
assert info.structure == simple_cubic_2x2x2
assert info.transformation_matrix == [[2, 0, 0], [0, 2, 0], [0, 0, 2]]
def test_make_supercell_from_matrix(simple_cubic, simple_cubic_2x1x1, tmpdir):
tmpdir.chdir()
matrix = [2, 1, 1]
args = Namespace(unitcell=simple_cubic,
matrix=matrix,
min_num_atoms=None,
max_num_atoms=None)
make_supercell(args)
info = loadfn("supercell_info.json")
assert IStructure.from_file("SPOSCAR") == simple_cubic_2x1x1
assert info.structure == simple_cubic_2x1x1
assert info.transformation_matrix == [[2, 0, 0], [0, 1, 0], [0, 0, 1]]
