Mercurial > repos > bgruening > openbabel_remove_protonation_state

diff remove_protonation_state.xml @ 13:b578d0c101cd 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 14:43:40 +0000
parents bf4e668b6690
children
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--- a/remove_protonation_state.xml	Tue Jul 28 08:41:46 2020 -0400
+++ b/remove_protonation_state.xml	Mon Oct 19 14:43:40 2020 +0000
@@ -3,7 +3,7 @@
     <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" 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="sdf" value="CID_2244.sdf"/>
             <output name="outfile" ftype="sdf" file="ob_remove_protonation_state.sdf" lines_diff="2" />
         </test>
+        <test>
+            <param name="infile" ftype="inchi" value="na-sal.inchi"/>
+            <output name="outfile" ftype="inchi" file="ob_remove_protonation_state.inchi" />
+        </test>
     </tests>
     <help>
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