Mercurial > repos > bgruening > openbabel_genprop

diff ob_filter.py @ 2:f15c87ff1df4 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 78ac0521d7df684e96c1b9c1ba2a17b02e681608
author: bgruening
date: Sat, 20 May 2017 19:58:59 -0400
parents: fd0d508b8ff6
children: 34924881dcc1
--- a/ob_filter.py	Sat May 20 08:55:16 2017 -0400
+++ b/ob_filter.py	Sat May 20 19:58:59 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:
author	bgruening
date	Sat, 20 May 2017 19:58:59 -0400
parents	fd0d508b8ff6
children	34924881dcc1