# HG changeset patch
# User bgruening
# Date 1557249888 14400
# Node ID 9c47b1134452dcf0272238902403110434a07d92
# Parent 4c46d651d6010e94394c4f5643343d98d97d4173
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e
diff -r 4c46d651d601 -r 9c47b1134452 macros.xml
--- a/macros.xml Mon Sep 03 16:33:36 2018 -0400
+++ b/macros.xml Tue May 07 13:24:48 2019 -0400
@@ -1,9 +1,10 @@
- 2.4.1
+ 2.4.2
openbabel
+ python
@@ -37,6 +38,3 @@
-
-
-
diff -r 4c46d651d601 -r 9c47b1134452 ob_genProp.xml
--- a/ob_genProp.xml Mon Sep 03 16:33:36 2018 -0400
+++ b/ob_genProp.xml Tue May 07 13:24:48 2019 -0400
@@ -11,7 +11,7 @@
-i '${infile}'
--iformat '${infile.ext}'
--oformat '${output_opts.output_format_types}'
- #if $output_opts.header.value:
+ #if $output_opts.output_format_types == 'table':
--header $output_opts.header
#end if
-o '${outfile}'
@@ -27,9 +27,7 @@
-
-
-
+
diff -r 4c46d651d601 -r 9c47b1134452 test-data/2_mol.dat
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2_mol.dat Tue May 07 13:24:48 2019 -0400
@@ -0,0 +1,2 @@
+CC(=O)OC1=CC=CC=C1C(=O)[O-]
+CC(=O)OC1=CC=CC=C1C(=O)[O-]
diff -r 4c46d651d601 -r 9c47b1134452 test-data/CO.smarts
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/CO.smarts Tue May 07 13:24:48 2019 -0400
@@ -0,0 +1,1 @@
+CO