Пример #1
0
def test_format():
    """Make sure the `formats.py` operations work"""

    atoms = formats.read(test_file)
    assert len(atoms) == 4

    atoms = formats.read(test_file, index=slice(None), format='qbox')
    assert len(atoms) == 5
Пример #2
0
def test_format(qboxfiles):
    """Make sure the `formats.py` operations work"""

    atoms = formats.read(test_qbox)
    assert len(atoms) == 4

    atoms = formats.read(test_qbox, index=slice(None), format='qbox')
    assert len(atoms) == 5

    atoms = formats.read(test_qball)
    assert len(atoms) == 32