# HG changeset patch # User bgruening # Date 1557250622 14400 # Node ID aafffb37d1687a4e01548e39a99d83fab4854ca5 # Parent ebe0654a8b85631b0dbdb170b2823557d12e2a21 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e diff -r ebe0654a8b85 -r aafffb37d168 macros.xml --- a/macros.xml Mon Sep 03 16:40:42 2018 -0400 +++ b/macros.xml Tue May 07 13:37:02 2019 -0400 @@ -1,9 +1,10 @@ - 2.4.1 + 2.4.2 openbabel + python @@ -37,6 +38,3 @@ - - - diff -r ebe0654a8b85 -r aafffb37d168 ob_genProp.xml --- a/ob_genProp.xml Mon Sep 03 16:40:42 2018 -0400 +++ b/ob_genProp.xml Tue May 07 13:37:02 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 ebe0654a8b85 -r aafffb37d168 test-data/2_mol.dat --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/2_mol.dat Tue May 07 13:37:02 2019 -0400 @@ -0,0 +1,2 @@ +CC(=O)OC1=CC=CC=C1C(=O)[O-] +CC(=O)OC1=CC=CC=C1C(=O)[O-] diff -r ebe0654a8b85 -r aafffb37d168 test-data/CO.smarts --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/CO.smarts Tue May 07 13:37:02 2019 -0400 @@ -0,0 +1,1 @@ +CO