Beispiel #1
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def test_illegal_reorder_method():

    args = ["--reorder-method NotImplementedYet", "FILE_A", "FILE_B"]

    with pytest.raises(SystemExit) as exception:
        args = rmsd.parse_arguments(args)

    assert exception.type == SystemExit
Beispiel #2
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def test_illegal_rotation_method():

    args = ["--rotation NeverHeardOfThisMethod", "FILE_A", "FILE_B"]

    with pytest.raises(SystemExit) as exception:
        args = rmsd.parse_arguments(args)

    assert exception.type == SystemExit
Beispiel #3
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def test_legal_arguments():

    args = "--rotation kabsch --ignore-hydrogen FILE_A FILE_B"
    args = args.split()
    args = rmsd.parse_arguments(args)

    assert args.reorder is False
    assert args.ignore_hydrogen is True
    assert args.rotation == "kabsch"
Beispiel #4
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def test_illegal_reflection():

    args = [
        "--rotation kabsch",
        "--use-reflections",
        "--print",
        "--ignore-hydrogen",
        "FILE_A",
        "FILE_B",
    ]

    with pytest.raises(SystemExit) as exception:
        args = rmsd.parse_arguments(args)

    assert exception.type == SystemExit