# HG changeset patch
# User bgruening
# Date 1586440998 14400
# Node ID ba2d56f169041306e7b601b203d3e4df48ebe070
# Parent  ff95203c7e4b81a017d83a578e9ef41bec3c42d6
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit cda909c5e0b88fa3d12abe43fc72b8dd0729417a"

diff -r ff95203c7e4b -r ba2d56f16904 macros.xml
--- a/macros.xml	Wed Mar 25 16:42:44 2020 -0400
+++ b/macros.xml	Thu Apr 09 10:03:18 2020 -0400
@@ -1,5 +1,5 @@
 <macros>
-    <token name="@VERSION@">2.4.2.1</token>
+    <token name="@VERSION@">2.4.2.2</token>
 
     <xml name="requirements">
         <requirements>
diff -r ff95203c7e4b -r ba2d56f16904 ob_filter.py
--- a/ob_filter.py	Wed Mar 25 16:42:44 2020 -0400
+++ b/ob_filter.py	Thu Apr 09 10:03:18 2020 -0400
@@ -40,7 +40,7 @@
     for mol in pybel.readfile('sdf', args.input):
         for key, elem in filters.items():
             # map the short description to the larger metadata names stored in the sdf file
-            property = cheminfolib.ColumnNames[key]
+            property = cheminfolib.ColumnNames.get(key, key)
             min = elem[0]
             max = elem[1]
             if float(mol.data[property]) >= float(min) and float(mol.data[property]) <= float(max):
@@ -113,7 +113,7 @@
         # Check if the sdf file contains all of the required metadata to invoke the precalculation filtering
         mol = next(pybel.readfile('sdf', args.input))
         for key, elem in filters.items():
-            property = cheminfolib.ColumnNames[key]
+            property = cheminfolib.ColumnNames.get(key, key)
             if not property in mol.data:
                 break
         else: