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TESTDATA_FILENAME = os .path .join (os .path .dirname (__file__ ), "data" , "2jyf.cif.gz" )
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def test_label_models ():
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- df = PandasMmcif ().read_mmcif (TESTDATA_FILENAME )
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- df .label_models ()
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- assert "model_id" in df .df ["ATOM" ].columns
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-
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+ biopandas_structure = PandasMmcif ().read_mmcif (TESTDATA_FILENAME )
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+ biopandas_structure .label_models ()
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+ assert "model_id" in biopandas_structure .df ["ATOM" ].columns
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+
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def test_get_model ():
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- df = PandasMmcif ().read_mmcif (TESTDATA_FILENAME )
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+ biopandas_structure = PandasMmcif ().read_mmcif (TESTDATA_FILENAME )
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MODEL_INDEX = 1
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- new_df = df .get_model (MODEL_INDEX )
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- print (df )
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- assert new_df .df ["ATOM" ]["pdbx_PDB_model_num" ].all () == MODEL_INDEX
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+ new_biopandas_structure = biopandas_structure .get_model (MODEL_INDEX )
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+ assert new_biopandas_structure .df ["ATOM" ]["pdbx_PDB_model_num" ].all () == MODEL_INDEX
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def test_get_models ():
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- df = PandasMmcif ().read_mmcif (TESTDATA_FILENAME )
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+ biopandas_structure = PandasMmcif ().read_mmcif (TESTDATA_FILENAME )
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MODEL_INDICES = [1 , 3 , 5 ]
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- new_df = df .get_models (MODEL_INDICES )
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- assert new_df .df ["ATOM" ]["pdbx_PDB_model_num" ].all () in MODEL_INDICES
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+ new_biopandas_structure = biopandas_structure .get_models (MODEL_INDICES )
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+ assert new_biopandas_structure .df ["ATOM" ]["pdbx_PDB_model_num" ].all () in MODEL_INDICES
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