De-lint tests.
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@@ -100,8 +100,8 @@ def compare_output(pdb, tmp_path, ref_path):
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elif line.startswith("---"):
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at_pka = False
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else:
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m = re.search(r'([0-9]+\.[0-9]+)', line)
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value = float(m.group(0))
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match = re.search(r'([0-9]+\.[0-9]+)', line)
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value = float(match.group(0))
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test_data.append(value)
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errstr = "Error exceeds maximum allowed value (%d decimal places)" % MAX_ERR_DECIMALS
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assert_almost_equal(test_data, ref_data, decimal=MAX_ERR_DECIMALS,
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@@ -113,9 +113,10 @@ def compare_output(pdb, tmp_path, ref_path):
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pytest.param('1HPX', [], id="1HPX: no options"),
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pytest.param('4DFR', [], id="4DFR: no options"),
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pytest.param('3SGB', [], id="3SGB: no options"),
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pytest.param('3SGB-subset', ["--titrate_only",
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"E:17,E:18,E:19,E:29,E:44,E:45,E:46,E:118,E:119,E:120,E:139"],
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id="3SGB: --titrate_only"),
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pytest.param('3SGB-subset', [
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"--titrate_only",
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"E:17,E:18,E:19,E:29,E:44,E:45,E:46,E:118,E:119,E:120,E:139"],
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id="3SGB: --titrate_only"),
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pytest.param('1HPX-warn', ['--quiet'], id="1HPX-warn: --quiet")])
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def test_regression(pdb, options, tmp_path):
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"""Basic regression test of PROPKA functionality."""
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