示例#1
0
def test_get_df():
    ppdb = PandasPDB()
    ppdb.read_pdb(TESTDATA_FILENAME)

    shape = ppdb.get('c-alpha').shape
    assert shape == (174, 21), shape

    shape = ppdb.get('hydrogen', invert=True).shape
    assert shape == (1330, 21), shape

    shape = ppdb.get('hydrogen').shape
    assert shape == (0, 21), shape

    shape = ppdb.get('main chain').shape
    assert shape == (696, 21), shape
示例#2
0
def test_get_df():
    ppdb = PandasPDB()
    ppdb.read_pdb(TESTDATA_FILENAME)

    shape = ppdb.get('c-alpha').shape
    assert shape == (174, 21), shape

    shape = ppdb.get('hydrogen', invert=True).shape
    assert shape == (1330, 21), shape

    shape = ppdb.get('hydrogen').shape
    assert shape == (0, 21), shape

    shape = ppdb.get('main chain').shape
    assert shape == (696, 21), shape
示例#3
0
def test_get_all():
    ppdb = PandasPDB()
    ppdb.read_pdb(TESTDATA_FILENAME)
    for i in ['c-alpha', 'hydrogen', 'main chain']:
        ppdb.get(i)
示例#4
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def test_get_exceptions():
    ppdb = PandasPDB()
    ppdb.read_pdb(TESTDATA_FILENAME)
    ppdb.get('main-chai')
示例#5
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def test_get_all():
    ppdb = PandasPDB()
    ppdb.read_pdb(TESTDATA_FILENAME)
    for i in ['c-alpha', 'hydrogen', 'main chain']:
        ppdb.get(i)
示例#6
0
def test_get_exceptions():
    ppdb = PandasPDB()
    ppdb.read_pdb(TESTDATA_FILENAME)
    ppdb.get('main-chai')