Mercurial > repos > bgruening > chembl

diff chembl.xml @ 1:6f8458d1cf46 draft

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"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 594b8bcfa2730fb21de1efa83f89e0380fdcaa0f"
author bgruening
date Mon, 12 Aug 2019 12:57:32 -0400
parents 915e9be38994
children 8b6ba267714b
line wrap: on
line diff
--- a/chembl.xml	Mon Aug 05 05:21:58 2019 -0400
+++ b/chembl.xml	Mon Aug 12 12:57:32 2019 -0400
@@ -57,7 +57,7 @@
             <param name="smiles" value="in1.smi"/>
             <param name='type' value='-t' />
             <param name='tanimoto' value='70' />
-            <output name="outfile" ftype="smi" file='out1.smi'/>
+            <output name="outfile" ftype="smi" file='out1.smi' compare="sim_size"/>
         </test>
         <test>
             <param name="format" value="-f"/>
@@ -65,20 +65,20 @@
             <param name='type' value='-t' />
             <param name='tanimoto' value='70' />
             <param name='drugs' value='true'/>
-            <output name="outfile" ftype="smi" file='out2.smi'/>
+            <output name="outfile" ftype="smi" file='out2.smi' compare="sim_size"/>
         </test>
         <test>
             <param name="format" value="-f"/>
             <param name="smiles" value="in1.smi"/>
             <param name='type' value='-s' />
-            <output name="outfile" ftype="smi" file='out3.smi'/>
+            <output name="outfile" ftype="smi" file='out3.smi' compare="sim_size"/>
         </test>    
         <test>
             <param name="format" value="-i"/>
             <param name="smiles" value="C1CCCCC1"/>
             <param name='type' value='-t' />
             <param name='tanimoto' value='70' />
-            <output name="outfile" ftype="smi" file='out4.smi'/>
+            <output name="outfile" ftype="smi" file='out4.smi' compare="sim_size"/>
         </test>       
     </tests>
     <help><![CDATA[