changeset 2:6d7f1c2d3ea8 draft

planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 78ac0521d7df684e96c1b9c1ba2a17b02e681608
author bgruening
date Sat, 20 May 2017 19:59:49 -0400 (2017-05-20)
parents 148df7d7fa38
children ee227d1f106f
files __pycache__/cheminfolib.cpython-36.pyc ob_filter.py
diffstat 2 files changed, 1 insertions(+), 1 deletions(-) [+]
line wrap: on
line diff
Binary file __pycache__/cheminfolib.cpython-36.pyc has changed
--- a/ob_filter.py	Sat May 20 08:55:58 2017 -0400
+++ b/ob_filter.py	Sat May 20 19:59:49 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: