From 36bea44a4dffc46d19011542f7fbb9fbe2659f28 Mon Sep 17 00:00:00 2001 From: Nathan Baker Date: Mon, 25 May 2020 20:35:54 -0700 Subject: [PATCH] Clean up line breaks in tests. See https://github.com/jensengroup/propka-3.1/issues/43 --- tests/test_basic_regression.py | 21 +++++++++++++-------- 1 file changed, 13 insertions(+), 8 deletions(-) diff --git a/tests/test_basic_regression.py b/tests/test_basic_regression.py index 60a72ba..8a4cbf0 100644 --- a/tests/test_basic_regression.py +++ b/tests/test_basic_regression.py @@ -22,7 +22,8 @@ MAX_ERR_DECIMALS = 2 TEST_DIR = Path("tests") # Location for test PDBs PDB_DIR = Path("pdb") -# Location for results for comparing output (allow running from tests/ and ../tests/) +# Location for results for comparing output (allow running from tests/ and +# ../tests/) RESULTS_DIR = Path("tests/results") if not RESULTS_DIR.is_dir(): _LOGGER.warning("Switching to sub-directory") @@ -47,7 +48,8 @@ def get_test_dirs(): if test_path.is_dir(): path_dict[key] = test_path else: - errstr = "Can't find %s test files in %s" % (key, [TEST_DIR / path, path]) + errstr = ("Can't find %s test files in %s" + % (key, [TEST_DIR / path, path])) raise FileNotFoundError(errstr) return path_dict @@ -63,11 +65,12 @@ def run_propka(options, pdb_path, tmp_path): options += [str(pdb_path)] args = propka.lib.loadOptions(options) try: - _LOGGER.warning("Working in tmpdir %s because of PROPKA file output; need to fix this.", - tmp_path) + _LOGGER.warning("Working in tmpdir %s because of PROPKA file output; " + "need to fix this.", tmp_path) cwd = Path.cwd() os.chdir(tmp_path) - molecule = propka.molecular_container.Molecular_container(str(pdb_path), args) + molecule = propka.molecular_container.Molecular_container( + str(pdb_path), args) molecule.calculate_pka() molecule.write_pka() finally: @@ -103,9 +106,11 @@ def compare_output(pdb, tmp_path, ref_path): match = re.search(r'([0-9]+\.[0-9]+)', line) value = float(match.group(0)) test_data.append(value) - errstr = "Error exceeds maximum allowed value (%d decimal places)" % MAX_ERR_DECIMALS - assert_almost_equal(test_data, ref_data, decimal=MAX_ERR_DECIMALS, - err_msg=errstr, verbose=True) + errstr = ("Error exceeds maximum allowed value (%d decimal places)" + % MAX_ERR_DECIMALS) + assert_almost_equal( + test_data, ref_data, decimal=MAX_ERR_DECIMALS, err_msg=errstr, + verbose=True) @pytest.mark.parametrize("pdb, options", [