Mercurial > repos > tduigou > retropath2

diff retropath2.xml @ 5:355b5d85c2e8 draft

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"planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
author tduigou
date Tue, 08 Feb 2022 11:08:32 +0000
parents 3fb551e6adea
children 217a87509ccd
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line diff
--- a/retropath2.xml	Mon Feb 07 15:22:26 2022 +0000
+++ b/retropath2.xml	Tue Feb 08 11:08:32 2022 +0000
@@ -28,9 +28,9 @@
             --mwmax_source '$adv.mwmax_source'
             --timeout '$adv.timeout' &&
         if compgen -G 'out/*_scope.csv' > /dev/null; then
-            cp 'out/*_scope.csv' '$Reaction_Network';
+            cp out/*_scope.csv '$Reaction_Network';
         else
-            cp 'out/results.csv' '$Reaction_Network';
+            cp out/results.csv '$Reaction_Network';
         fi
     ]]></command>
     <inputs>
@@ -70,7 +70,7 @@
     <tests>
         <test>
         <!-- test 1: check if identical outputs are produced with default parameters  -->
-            <param name="rulesfile" value="rules.csv.gz" />
+            <param name="rulesfile" value="rules.csv" />
             <param name="sinkfile" value="sink.csv" />
             <param name="source_inchi" value="InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/p-2" />
             <output name="Reaction_Network" file="results_retropath2.csv" ftype="csv" compare="diff"/>