Test that different types of cells are handled correctly.
(descriptor_func, cell)
| 383 | |
| 384 | |
| 385 | def assert_cell(descriptor_func, cell): |
| 386 | """Test that different types of cells are handled correctly.""" |
| 387 | system = get_simple_finite() |
| 388 | # Error is raised if there is no cell when periodicity=True |
| 389 | if cell == "collapsed_periodic": |
| 390 | system.set_pbc(True) |
| 391 | system.set_cell([[0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0]]) |
| 392 | desc = descriptor_func(periodic=True)([system]) |
| 393 | with pytest.raises(ValueError): |
| 394 | desc.create(system) |
| 395 | # No error is raised if there is no cell when periodicity=False |
| 396 | elif cell == "collapsed_finite": |
| 397 | system.set_cell([[0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0]]) |
| 398 | desc = descriptor_func(periodic=False)([system]) |
| 399 | desc.create(system) |
| 400 | else: |
| 401 | raise ValueError("Unknown cell option") |
| 402 | |
| 403 | |
| 404 | def assert_systems(descriptor_func, pbc, cell): |