Mercurial > repos > recetox > matchms
comparison matchms_similarity.xml @ 3:9f8532c99845 draft
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@ |