# HG changeset patch # User bgruening # Date 1495324942 14400 # Node ID a7d741129d47fc4322931c534771998136e94fda # Parent ab3052a2f6782fcc1e4e27063cdfe109cdef8f4b planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 78ac0521d7df684e96c1b9c1ba2a17b02e681608 diff -r ab3052a2f678 -r a7d741129d47 __pycache__/cheminfolib.cpython-36.pyc Binary file __pycache__/cheminfolib.cpython-36.pyc has changed diff -r ab3052a2f678 -r a7d741129d47 ob_filter.py --- a/ob_filter.py Sat May 20 08:57:45 2017 -0400 +++ b/ob_filter.py Sat May 20 20:02:22 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: