Mercurial > repos > bgruening > openbabel_remions

diff ob_remIons.xml @ 13:3153b6f3087c draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 1fe240ef0064a1a4a66d9be1ccace53824280b75"
author bgruening
date Mon, 19 Oct 2020 14:43:01 +0000
parents 354c048550f7
children 4e3b2049a4d3
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line diff
--- a/ob_remIons.xml	Tue Jul 28 08:37:04 2020 -0400
+++ b/ob_remIons.xml	Mon Oct 19 14:43:01 2020 +0000
@@ -3,7 +3,7 @@
     <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="50000" shared_inputs="" merge_outputs="outfile"></parallelism-->
     <macros>
         <import>macros.xml</import>
-        <token name="@GALAXY_VERSION@">0</token>
+        <token name="@GALAXY_VERSION@">1</token>
     </macros>
     <expand macro="requirements"/>
     <command detect_errors="aggressive">
@@ -25,6 +25,10 @@
             <param name="infile" ftype="smi" value="2_mol.smi"/>
             <output name="outfile" ftype="smi" file="obrmions_on_2_mol.smi" />
         </test>
+        <test>
+            <param name="infile" ftype="inchi" value="na-sal.inchi"/>
+            <output name="outfile" ftype="inchi" file="na-sal_obrmions.inchi" />
+        </test>
     </tests>
     <help>
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