Mercurial > repos > bgruening > openbabel_remions

diff ob_remIons.xml @ 14:4e3b2049a4d3 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 327c29cc43f56d7067ab9fa51323ea31951db98b"
author bgruening
date Tue, 10 Nov 2020 20:32:05 +0000
parents 3153b6f3087c
children
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--- a/ob_remIons.xml	Mon Oct 19 14:43:01 2020 +0000
+++ b/ob_remIons.xml	Tue Nov 10 20:32:05 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@">1</token>
+        <token name="@GALAXY_VERSION@">2</token>
     </macros>
     <expand macro="requirements"/>
     <command detect_errors="aggressive">
@@ -12,10 +12,12 @@
       -i '${infile}'
       -iformat '${infile.ext}'
       -o '${outfile}'
+      $index
 ]]>
     </command>
     <inputs>
         <expand macro="infile_all_types"/>
+        <param name="index" type="boolean" checked="false" truevalue="-idx" falsevalue="" label="Output indexed tab-separated table?" help="Add an index column to the output file. This option will work only when input format is InChI or SMILES, otherwise it will be ignored." />
     </inputs>
     <outputs>
         <expand macro="output_like_input"/>
@@ -29,6 +31,11 @@
             <param name="infile" ftype="inchi" value="na-sal.inchi"/>
             <output name="outfile" ftype="inchi" file="na-sal_obrmions.inchi" />
         </test>
+        <test>
+            <param name="infile" ftype="inchi" value="multiple.inchi"/>
+            <param name="index" value="true"/>
+            <output name="outfile" ftype="inchi" file="multiple_obrmions.inchi" />
+        </test>
     </tests>
     <help>
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