# 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