Mercurial > repos > recetox > matchms

comparison matchms_similarity.xml @ 2:67ed0d4f3724 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b974ff354fa375975050026482e1b6ded8005682
author recetox
date Thu, 08 Sep 2022 14:48:21 +0000
parents f680068b7863
children 9f8532c99845
comparison
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1:f680068b7863 2:67ed0d4f3724
1 <tool id="matchms" name="matchMS similarity" version="@TOOL_VERSION@+galaxy0" python_template_version="3.8"> 1 <tool id="matchms" name="matchMS similarity" version="@TOOL_VERSION@+galaxy1" 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>
129 <output name="similarity_matches" file="similarity/matches_test5_out.tsv" ftype="tsv"/> 129 <output name="similarity_matches" file="similarity/matches_test5_out.tsv" ftype="tsv"/>
130 </test> 130 </test>
131 <test> 131 <test>
132 <param name="references" value="similarity/recetox_gc-ei_ms_20201028.msp" ftype="msp"/> 132 <param name="references" value="similarity/recetox_gc-ei_ms_20201028.msp" ftype="msp"/>
133 <param name="queries" value="similarity/fill2.msp" ftype="msp"/> 133 <param name="queries" value="similarity/fill2.msp" ftype="msp"/>
134 <param name="ri_filtering.is_true" value="TRUE" /> 134 <conditional name="ri_filtering">
135 <param name="ri_filtering.tolerance" value="60.0" /> 135 <param name="is_true" value="True"></param>
136 <param name="tolerance" value="60.0" />
137 </conditional>
136 <param name="similarity_metric" value="CosineGreedy"/> 138 <param name="similarity_metric" value="CosineGreedy"/>
137 <output name="similarity_scores" file="similarity/scores_test6_out.tsv" ftype="tsv"/> 139 <output name="similarity_scores" file="similarity/scores_test6_out.tsv" ftype="tsv"/>
138 <output name="similarity_matches" file="similarity/matches_test6_out.tsv" ftype="tsv"/> 140 <output name="similarity_matches" file="similarity/matches_test6_out.tsv" ftype="tsv"/>
139 </test> 141 </test>
140 <test> 142 <test>