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os.remove("test.pdb") def test_get_center_of_selection(): @@ -57,7 +81,6 @@ def test_get_center_of_selection(): sel = u.select_atoms("resid 123") cc = get_center_of_selection(get_selection_string_from_resnums([123]), "test.pdb") npt.assert_allclose(cc, sel.center(None)) - os.remove("test.pdb") def test_calculate_oxygen_density_map(): @@ -68,9 +91,6 @@ def test_calculate_oxygen_density_map(): trjfname, topfname, ) - os.remove("water.dx") - os.remove("tests/data/.testtrjgromacs.xtc_offsets.npz") - os.remove("tests/data/.testtrjgromacs.xtc_offsets.lock") def test_extract_waters_from_trajectory(): @@ -131,9 +151,6 @@ def test_align_mda(): align_selection="protein", topology="tests/data/testtopgromacs.tpr", ) - # os.remove("tests/data/testtrjgromacs_0.xtc") - os.remove("aligned_trajectory.xtc") - os.remove("align.pdb") def test_align_mda_every(): @@ -147,9 +164,6 @@ def test_align_mda_every(): topology="tests/data/testtopgromacs.tpr", every=2, ) - # os.remove("tests/data/testtrjgromacs_0.xtc") - os.remove("aligned_trajectory.xtc") - os.remove("align.pdb") @pytest.mark.xfail(reason="ProBiS alignment requires ProBiS installation") @@ -163,10 +177,6 @@ def test_align_probis(): align_selection="protein", topology="tests/data/testtopgromacs.tpr", ) - # os.remove("tests/data/testtrjgromacs_0.xtc") - os.remove("aligned_trajectory.xtc") - os.remove("probis") - os.remove("align.pdb") def test_density_map_units():