# HG changeset patch
# User bgruening
# Date 1586440606 0
# Node ID 102a982bde5b90f95e189aa7eb685b33fee20143
# Parent  f3daa51ada9dcaa9821d7c054ec8deb67316b39f
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit cda909c5e0b88fa3d12abe43fc72b8dd0729417a"

diff -r f3daa51ada9d -r 102a982bde5b macros.xml
--- a/macros.xml	Wed Mar 25 20:39:57 2020 +0000
+++ b/macros.xml	Thu Apr 09 13:56:46 2020 +0000
@@ -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 f3daa51ada9d -r 102a982bde5b ob_filter.py
--- a/ob_filter.py	Wed Mar 25 20:39:57 2020 +0000
+++ b/ob_filter.py	Thu Apr 09 13:56:46 2020 +0000
@@ -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: