Mercurial > repos > recetox > matchms

diff matchms_similarity.xml @ 3:9f8532c99845 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 38a5028a7abe99794086e9b1374ab4bb8bfa68de
author recetox
date Wed, 21 Sep 2022 15:28:55 +0000
parents 67ed0d4f3724
children ba5e9bd05d5b
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--- a/matchms_similarity.xml	Thu Sep 08 14:48:21 2022 +0000
+++ b/matchms_similarity.xml	Wed Sep 21 15:28:55 2022 +0000
@@ -1,4 +1,4 @@
-<tool id="matchms" name="matchMS similarity" version="@TOOL_VERSION@+galaxy1" python_template_version="3.8">
+<tool id="matchms" name="matchMS similarity" version="@TOOL_VERSION@+galaxy2" python_template_version="3.8">
     <description>calculate the similarity score and matched peaks</description>
 
     <macros>
@@ -146,6 +146,17 @@
             <output name="similarity_scores" file="similarity/scores_test7_out.tsv" ftype="tsv"/>
             <output name="similarity_matches" file="similarity/matches_test7_out.tsv" ftype="tsv"/>
         </test>
+        <test>
+            <param name="queries" value="similarity/recetox_gc-ei_ms_20201028.msp" ftype="msp"/>
+            <param name="similarity_metric" value="CosineGreedy"/>
+            <param name="is_symmetric" value="TRUE" />
+            <conditional name="ri_filtering">
+                <param name="is_true" value="True"></param>
+                <param name="tolerance" value="60.0" />
+            </conditional>
+            <output name="similarity_scores" file="similarity/scores_test8_out.tsv" ftype="tsv"/>
+            <output name="similarity_matches" file="similarity/matches_test8_out.tsv" ftype="tsv"/>
+        </test>
     </tests>
 
     <help>