| Previous changeset 1:5b4b77d85e87 (2017-05-20) Next changeset 3:a1db432874e5 (2017-05-20) |
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Commit message:
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 78ac0521d7df684e96c1b9c1ba2a17b02e681608 |
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modified:
__pycache__/cheminfolib.cpython-36.pyc ob_filter.py |
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| diff -r 5b4b77d85e87 -r 01b88210c2c6 __pycache__/cheminfolib.cpython-36.pyc |
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| Binary file __pycache__/cheminfolib.cpython-36.pyc has changed |
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| diff -r 5b4b77d85e87 -r 01b88210c2c6 ob_filter.py --- a/ob_filter.py Sat May 20 09:01:06 2017 -0400 +++ b/ob_filter.py Sat May 20 20:04:33 2017 -0400 |
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| @@ -95,7 +95,7 @@ filters = json.loads((args.filters).replace(' ', '').replace(',}', '}')) if args.iformat == 'sdf': # Check if the sdf file contains all of the required metadata to invoke the precalculation filtering - mol = pybel.readfile('sdf', args.input).next() + mol = next(pybel.readfile('sdf', args.input)) for key, elem in filters.items(): property = cheminfolib.ColumnNames[key] if not property in mol.data: |