diff retropath2_wrapper.xml @ 11:5f4a981d6bc3 draft

planemo upload for repository https://github.com/brsynth/retropath2_wrapper commit b7e98c7f0ee70edd536215e3dfe0cd66957e6dae

--- a/retropath2_wrapper.xml	Wed Feb 14 15:26:42 2024 +0000
+++ b/retropath2_wrapper.xml	Mon Jul 22 12:08:24 2024 +0000
@@ -2,7 +2,7 @@
     <description>Build a reaction network from a set of source compounds to a set of sink compounds</description>
     <macros>
         <token name="@VERSION_SUFFIX@">0</token>
-        <token name="@TOOL_VERSION@">3.1.1</token>
+        <token name="@TOOL_VERSION@">3.2.0</token>
     </macros>
     <requirements>
         <requirement type="package" version="@TOOL_VERSION@">retropath2_wrapper</requirement>
@@ -29,6 +29,9 @@
             --dmax '$adv.dmax'
             --mwmax_source '$adv.mwmax_source'
             --kinstall "\${TMPDIR:-.}"
+            #if str($adv.network) == "true":
+                --no-network
+            #end if
             --msc_timeout '$adv.timeout' &&
         if compgen -G 'out/*_scope.csv' > /dev/null; then
             cp out/*_scope.csv '$Reaction_Network';
@@ -57,6 +60,7 @@
             <param name="dmax" type="integer" value="1000" min="0" max="1000" label="Maximum rule diameter" help="Maximum rule diameter of the sphere including the atoms around the reacting center. The higher is the diameter, the more specific are the rules."/>
             <param name="mwmax_source" type="integer" value="1000" min="0" max="2000" label="Molecular weight of source (Da)" help="The molecular weight cutoff (in Da), above which initial source (ie target) and intermediate compounds will be filtered out." />
             <param name="timeout" type="integer" value="60" min="30" max="600" label="Timeout (min)" help="Maximal time of RetroPath2.0 execution (60 minutes by default)." />
+            <param name="network" type="boolean" checked="false" label="Do not use network" />
         </section>
     </inputs>
     <outputs>