Mercurial > repos > recetox > matchms_metadata_match
comparison matchms_metadata_match.xml @ 11:43d40415654c draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 2a2f69962f84b4ff91c9739bdf7749c5097a33ed
| author | recetox |
|---|---|
| date | Thu, 22 Feb 2024 12:34:38 +0000 |
| parents | 91b4b0c9a384 |
| children | 86e080d81cfb |
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| 10:91b4b0c9a384 | 11:43d40415654c |
|---|---|
| 1 <tool id="matchms_metadata_match" name="matchms metadata match" version="@TOOL_VERSION@+galaxy0" profile="21.09"> | 1 <tool id="matchms_metadata_match" name="matchms metadata match" version="@TOOL_VERSION@+galaxy1" profile="21.09"> |
| 2 <description>matchms metadata match calculation for numeric fields based on tolerance</description> | 2 <description>matchms metadata match calculation for numeric fields based on tolerance</description> |
| 3 | 3 |
| 4 <macros> | 4 <macros> |
| 5 <import>macros.xml</import> | 5 <import>macros.xml</import> |
| 6 <import>help.xml</import> | 6 <import>help.xml</import> |
| 75 <param label="Metadata Match" name="metadata_match_field" type="select" display="radio" | 75 <param label="Metadata Match" name="metadata_match_field" type="select" display="radio" |
| 76 help="Metadata field to use for matching"> | 76 help="Metadata field to use for matching"> |
| 77 <option value="smiles" selected="true">SMILES</option> | 77 <option value="smiles" selected="true">SMILES</option> |
| 78 <option value="inchi">InChI</option> | 78 <option value="inchi">InChI</option> |
| 79 <option value="inchikey">InChIKey</option> | 79 <option value="inchikey">InChIKey</option> |
| 80 <option value="formula">Formula</option> | |
| 80 </param> | 81 </param> |
| 81 </when> | 82 </when> |
| 82 </conditional> | 83 </conditional> |
| 83 </inputs> | 84 </inputs> |
| 84 | 85 |
| 120 <param name="scores_in" value="metadata_match/ri_match_60.json" ftype="json"/> | 121 <param name="scores_in" value="metadata_match/ri_match_60.json" ftype="json"/> |
| 121 <param name="tolerance" value="20.0" /> | 122 <param name="tolerance" value="20.0" /> |
| 122 <param name="join_type" value="left" /> | 123 <param name="join_type" value="left" /> |
| 123 <output name="scores_out" value="metadata_match/left_join_ri_20.json" ftype="json" /> | 124 <output name="scores_out" value="metadata_match/left_join_ri_20.json" ftype="json" /> |
| 124 </test> | 125 </test> |
| 126 <test> | |
| 127 <param name="queries" value="similarity/rcx_gc-ei_ms_subset.msp" ftype="msp"/> | |
| 128 <param name="references" value="similarity/rcx_gc-ei_ms_subset.msp" ftype="msp"/> | |
| 129 <param name="matching_type" value="equal_match" /> | |
| 130 <param name="metadata_match_field" value="formula" /> | |
| 131 <output name="scores_out" value="metadata_match/formula.json" ftype="json" /> | |
| 132 </test> | |
| 125 </tests> | 133 </tests> |
| 126 | 134 |
| 127 <help> | 135 <help> |
| 128 Description | 136 Description |
| 129 The metadata matching module allows comparing metadata entries to create a mask to use for further computations. | 137 The metadata matching module allows comparing metadata entries to create a mask to use for further computations. |