Initial removal of PROPKA input

2020-11-17 23:31:24 +00:00
parent 9dfd87a0eb
commit 239c8183c9
11 changed files with 63 additions and 284 deletions
--- a/tests/test_streamio.py
+++ b/tests/test_streamio.py
@@ -38,8 +38,6 @@ def run_propka_stream(options, input_file, filename):
    molecule = read_molecule_file(filename, molecule, stream=input_file)
    molecule.calculate_pka()
    molecule.write_pka()
-    if args.generate_propka_input:
-        molecule.write_propka()


@pytest.mark.parametrize("pdb, options", [