Mercurial > repos > bgruening > sucos_clustering

diff sucos_cluster.xml @ 5:12725d4b90f3 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/sucos commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:48:16 -0400
parents 334ad24525db
children
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--- a/sucos_cluster.xml	Wed Apr 15 09:26:30 2020 -0400
+++ b/sucos_cluster.xml	Tue Jul 28 08:48:16 2020 -0400
@@ -1,7 +1,8 @@
-<tool id="sucos_clustering" name="Cluster ligands using SuCOS" version="0.1.1">
+<tool id="sucos_clustering" name="Cluster ligands using SuCOS" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
     <description>based on the overlap of 3D features</description>
     <macros>
         <import>sucos_macros.xml</import>
+        <token name="@GALAXY_VERSION@">0</token>
     </macros>
     <expand macro="requirements">
         <requirement type="package" version="1.3.0">scipy</requirement>
@@ -23,7 +24,7 @@
     <tests>
         <test>
             <param name="input" ftype="sdf" value="sucos_cluster.sdf"/>
-            <output_collection name="clusters" type="list" count="6">
+            <output_collection name="clusters" type="list" count="8">
                 <element name="cluster1" ftype="sdf" file="cluster1.sdf" compare="sim_size" />
                 <element name="cluster2" ftype="sdf" file="cluster2.sdf" compare="sim_size" />
                 <element name="cluster3" ftype="sdf" file="cluster3.sdf" compare="sim_size" />