Mercurial > repos > recetox > matchms

comparison 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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2:67ed0d4f3724 3:9f8532c99845
1 <tool id="matchms" name="matchMS similarity" version="@TOOL_VERSION@+galaxy1" python_template_version="3.8"> 1 <tool id="matchms" name="matchMS similarity" version="@TOOL_VERSION@+galaxy2" python_template_version="3.8">
2 <description>calculate the similarity score and matched peaks</description> 2 <description>calculate the similarity score and matched peaks</description>
3 3
4 <macros> 4 <macros>
5 <import>macros.xml</import> 5 <import>macros.xml</import>
6 </macros> 6 </macros>
144 <param name="queries" value="similarity/RECETOX_Exposome_pesticides_HR_MS_20220323.msp" ftype="msp"/> 144 <param name="queries" value="similarity/RECETOX_Exposome_pesticides_HR_MS_20220323.msp" ftype="msp"/>
145 <param name="similarity_metric" value="NeutralLossesCosine"/> 145 <param name="similarity_metric" value="NeutralLossesCosine"/>
146 <output name="similarity_scores" file="similarity/scores_test7_out.tsv" ftype="tsv"/> 146 <output name="similarity_scores" file="similarity/scores_test7_out.tsv" ftype="tsv"/>
147 <output name="similarity_matches" file="similarity/matches_test7_out.tsv" ftype="tsv"/> 147 <output name="similarity_matches" file="similarity/matches_test7_out.tsv" ftype="tsv"/>
148 </test> 148 </test>
149 <test>
150 <param name="queries" value="similarity/recetox_gc-ei_ms_20201028.msp" ftype="msp"/>
151 <param name="similarity_metric" value="CosineGreedy"/>
152 <param name="is_symmetric" value="TRUE" />
153 <conditional name="ri_filtering">
154 <param name="is_true" value="True"></param>
155 <param name="tolerance" value="60.0" />
156 </conditional>
157 <output name="similarity_scores" file="similarity/scores_test8_out.tsv" ftype="tsv"/>
158 <output name="similarity_matches" file="similarity/matches_test8_out.tsv" ftype="tsv"/>
159 </test>
149 </tests> 160 </tests>
150 161
151 <help> 162 <help>
152 <![CDATA[ 163 <![CDATA[
153 @HELP_matchms@ 164 @HELP_matchms@