Mercurial > repos > recetox > october_recetox_xmsannotator_advanced
changeset 1:8fcf5ca25f5d draft
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/recetox-xmsannotator commit b26a7ce6459f8e456fd166ba1aaada4e7e66dfa6"
| author | recetox |
|---|---|
| date | Fri, 29 Oct 2021 12:24:44 +0000 |
| parents | e2e2e455fcfb |
| children | 116ec7c1c038 |
| files | macros.xml october_recetox_xmsannotator_advanced.xml |
| diffstat | 2 files changed, 4 insertions(+), 1 deletions(-) [+] |
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--- a/macros.xml Fri Oct 29 09:49:13 2021 +0000 +++ b/macros.xml Fri Oct 29 12:24:44 2021 +0000 @@ -36,6 +36,9 @@ The database is required to contain <em>adduct</em>, <em>charge</em>, <em>mass</em>, and <em>n_molecules</em>. ]]></help> </param> + <param name="adduct_weights" type="data" format="csv" optional="true"> + <label>adduct_weights</label> + </param> </xml> <xml name="outputs">
--- a/october_recetox_xmsannotator_advanced.xml Fri Oct 29 09:49:13 2021 +0000 +++ b/october_recetox_xmsannotator_advanced.xml Fri Oct 29 12:24:44 2021 +0000 @@ -18,6 +18,7 @@ peak_table = load_peak_table_parquet("${peak_table}"), #end if adduct_table = load_adduct_table_parquet("${adduct_table}"), + adduct_weights = as.data.frame("${adduct_weights}"), compound_table = load_compound_table_parquet("${compound_table}"), mass_tolerance = 1e-6 * ${mass_tolerance_ppm}, time_tolerance = $time_tolerance, @@ -54,7 +55,6 @@ <label>Retention time tolerance [s]</label> <help> Retention time tolerance in seconds for finding peaks derived from the same parent compound. - </help> </param> </expand>