Mercurial > repos > tduigou > retropath2

comparison 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
comparison
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4:3fb551e6adea 5:355b5d85c2e8
26 --dmin '$adv.dmin' 26 --dmin '$adv.dmin'
27 --dmax '$adv.dmax' 27 --dmax '$adv.dmax'
28 --mwmax_source '$adv.mwmax_source' 28 --mwmax_source '$adv.mwmax_source'
29 --timeout '$adv.timeout' && 29 --timeout '$adv.timeout' &&
30 if compgen -G 'out/*_scope.csv' > /dev/null; then 30 if compgen -G 'out/*_scope.csv' > /dev/null; then
31 cp 'out/*_scope.csv' '$Reaction_Network'; 31 cp out/*_scope.csv '$Reaction_Network';
32 else 32 else
33 cp 'out/results.csv' '$Reaction_Network'; 33 cp out/results.csv '$Reaction_Network';
34 fi 34 fi
35 ]]></command> 35 ]]></command>
36 <inputs> 36 <inputs>
37 <param name="rulesfile" type="data" format="csv,tar" label="Rules File"/> 37 <param name="rulesfile" type="data" format="csv,tar" label="Rules File"/>
38 <param name="sinkfile" type="data" format="csv" label="Sink File"/> 38 <param name="sinkfile" type="data" format="csv" label="Sink File"/>
68 <data name="Reaction_Network" format="csv" label="${tool.name}" /> 68 <data name="Reaction_Network" format="csv" label="${tool.name}" />
69 </outputs> 69 </outputs>
70 <tests> 70 <tests>
71 <test> 71 <test>
72 <!-- test 1: check if identical outputs are produced with default parameters --> 72 <!-- test 1: check if identical outputs are produced with default parameters -->
73 <param name="rulesfile" value="rules.csv.gz" /> 73 <param name="rulesfile" value="rules.csv" />
74 <param name="sinkfile" value="sink.csv" /> 74 <param name="sinkfile" value="sink.csv" />
75 <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" /> 75 <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" />
76 <output name="Reaction_Network" file="results_retropath2.csv" ftype="csv" compare="diff"/> 76 <output name="Reaction_Network" file="results_retropath2.csv" ftype="csv" compare="diff"/>
77 </test> 77 </test>
78 </tests> 78 </tests>