Initial removal of PROPKA input
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@@ -30,6 +30,7 @@ def test_single_file(tmpdir, pdb, options):
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with tmpdir.as_cwd():
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pkrun.single(filename, options)
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compare_output(pdb, Path.cwd(), ref_path)
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assert os.path.isfile(f'{pdb}.pka')
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@pytest.mark.parametrize("pdb, options", [
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@@ -51,6 +52,7 @@ def test_single_filestream(tmpdir, pdb, options):
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with tmpdir.as_cwd():
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pkrun.single(filename, options, stream=filestream)
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compare_output(pdb, Path.cwd(), ref_path)
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assert os.path.isfile(f'{pdb}.pka')
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filestream.close()
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@@ -69,27 +71,10 @@ def test_single_nopka(tmpdir):
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assert not os.path.isfile(f"{pdb}.pka")
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def test_single_propka_input(tmpdir):
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"""Basic test to check that the propka_input file is written when
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`--generate-propka-input` is passed"""
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pdb = "1FTJ-Chain-A"
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options = ('--generate-propka-input',)
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ref_path, pdb_path = get_paths(pdb)
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filename = f"{pdb}.pdb"
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with open(pdb_path, 'r') as writer:
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filestream = StringIO(writer.read())
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with tmpdir.as_cwd():
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pkrun.single(filename, options, stream=filestream)
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assert os.path.isfile(f"{pdb}.propka_input")
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def test_single_extra_files_logwarn(tmpdir, caplog):
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"""Tests that a logging warning is thrown if passing files via optargs"""
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pdb = "1FTJ-Chain-A"
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options = ('-f foo.pdb bar.pdb', '-f test.pdb test2.pdb',
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'--generate-propka-input')
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options = ('-f foo.pdb bar.pdb', '-f test.pdb test2.pdb')
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ref_path, pdb_path = get_paths(pdb)
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filename = str(pdb_path)
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