Exemplo n.º 1
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def test_generate_compnd_continuation_count():
    assert minimal(
        generate_compnd(continuation_number=5)) == "COMPND  5  MOL_ID: 0;"
Exemplo n.º 2
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def test_generate_compnd_ec():
    assert (minimal(
        generate_compnd(),
        lambda x: "EC:" in x) == "COMPND     EC: NUMBER NOT ASSIGNED;")
Exemplo n.º 3
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def test_generate_compnd_ec_assigned():
    assert (minimal(generate_compnd(),
                    lambda x: "EC:" in x and x.count(".") == 3) ==
            "COMPND     EC: 0.0.0.0;")
Exemplo n.º 4
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def test_generate_compnd_engineered_yes():
    assert (minimal(generate_compnd(),
                    lambda x: "ENGINEERED" in x and "YES" in x) ==
            "COMPND     ENGINEERED: YES;")
Exemplo n.º 5
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def test_generate_compnd_engineered_no():
    assert (minimal(generate_compnd(),
                    lambda x: "ENGINEERED" in x and "NO" in x) ==
            "COMPND     ENGINEERED: NO;")
Exemplo n.º 6
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def test_generate_compnd_synonym():
    assert (minimal(generate_compnd(),
                    lambda x: "SYNONYM" in x) == "COMPND     SYNONYM: 0;")
Exemplo n.º 7
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def test_generate_compnd_fragment():
    assert (minimal(generate_compnd(),
                    lambda x: "FRAGMENT" in x) == "COMPND     FRAGMENT: 0;")
Exemplo n.º 8
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def test_generate_compnd_chain():
    assert minimal(generate_compnd(),
                   lambda x: "CHAIN" in x) == "COMPND     CHAIN: A;"
Exemplo n.º 9
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def test_generate_compnd_molecule():
    assert (minimal(generate_compnd(),
                    lambda x: "MOLECULE" in x) == "COMPND     MOLECULE: 0;")
Exemplo n.º 10
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def test_generate_compnd_molid():
    assert (minimal(generate_compnd(),
                    lambda x: "MOL_ID" in x) == "COMPND     MOL_ID: 0;")