Mercurial > repos > computational-metabolomics > sirius_csifingerid
diff sirius_csifingerid.xml @ 6:96b077221201 draft
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit a1dfcf9fe850298b80f3738611835a3ef53e820a"
| author | computational-metabolomics |
|---|---|
| date | Fri, 04 Feb 2022 17:13:46 +0000 |
| parents | 57c4e7421085 |
| children | 7b9c17738db8 |
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--- a/sirius_csifingerid.xml Fri Feb 04 10:15:28 2022 +0000 +++ b/sirius_csifingerid.xml Fri Feb 04 17:13:46 2022 +0000 @@ -1,5 +1,5 @@ <tool id="sirius_csifingerid" name="SIRIUS-CSI:FingerID" - version="4.9.8+galaxy1" profile="19.05"> + version="4.9.8+galaxy2" profile="19.05"> <description>is used to identify metabolites using single and tandem mass spectrometry</description> <requirements> @@ -16,14 +16,14 @@ --candidates $candidates --ppm_max $ppm_max --polarity $polarity - --out_dir . + --out_dir $__new_file_path__ --canopus_result_pth canopus_all_summary.tsv --annotations_result_pth annotations_all_summary.tsv --cores_top_level 1 --meta_select_col $meta_select_col --min_MSMS_peaks $min_MSMS_peaks --schema $schema - --temp_dir . + --temp_dir $__new_file_path__ #if $adducts_cond.adducts_selector == 'select': #for $a in $adducts_cond.adducts @@ -51,9 +51,6 @@ --confidence_filter $confidence_filter - #if $backwards_compatible - --backwards_compatible - #end if ]]></command> <inputs> @@ -147,9 +144,6 @@ label="Only show annotations greater than or or equal to this value (default to show all annotations)"/> - <param argument="--backwards_compatible" type="boolean" checked="false" - label="Makes the outputs compatible with annotation workflows that used the old output from - SIRIUS-CSI:FingerID v4.0.1"/> </inputs> <outputs> <data name="canopus_results" format="tsv" label="${tool.name} on ${on_string}: CANOPUS" @@ -202,14 +196,6 @@ <output name="canopus_results" file="canopus_RP022611_result_all_adducts.tsv"/> </test> <test> - <!-- Test for backward compa format--> - <param name="input" value="CCMSLIB00000578155.msp" ftype="msp"/> - <param name="profile" value="orbitrap"/> - <param name="backwards_compatible" value="--backwards_compatible"/> - <output name="annotation_results" file="bc_annotation_CCMSLIB00000578155_result.tsv"/> - <output name="canopus_results" file="bc_canopus_CCMSLIB00000578155_result.tsv"/> - </test> - <test> <!-- Test confidence filter --> <param name="input" value="generic.msp" ftype="msp"/> <param name="confidence_filter" value="0.7"/>
