# HG changeset patch # User bgruening # Date 1495325012 14400 # Node ID f7e1b289b8115ca25f80a365d9780bc90c5965b0 # Parent b0311f002a5f05ec9b2cd62d2af5569bf79dee4a planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 78ac0521d7df684e96c1b9c1ba2a17b02e681608 diff -r b0311f002a5f -r f7e1b289b811 __pycache__/cheminfolib.cpython-36.pyc Binary file __pycache__/cheminfolib.cpython-36.pyc has changed diff -r b0311f002a5f -r f7e1b289b811 ob_filter.py --- a/ob_filter.py Sat May 20 08:59:45 2017 -0400 +++ b/ob_filter.py Sat May 20 20:03:32 2017 -0400 @@ -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: