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
def test_get_all(): ppdb = PandasPDB() ppdb.read_pdb(TESTDATA_FILENAME) for i in ['c-alpha', 'hydrogen', 'main chain']: ppdb.get(i)
def test_get_exceptions(): ppdb = PandasPDB() ppdb.read_pdb(TESTDATA_FILENAME) ppdb.get('main-chai')