Mercurial > repos > recetox > riassigner

diff riassigner.xml @ 3:113f5f66e6b9 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
author recetox
date Fri, 28 Jan 2022 16:30:37 +0000
parents 97c0aae5eb69
children d3f04719501a
line wrap: on
line diff
--- a/riassigner.xml	Tue Jan 25 09:39:36 2022 +0000
+++ b/riassigner.xml	Fri Jan 28 16:30:37 2022 +0000
@@ -3,10 +3,11 @@
     <macros>
         <import>macros.xml</import>
     </macros>
+    <expand macro="creator"/>
+
     <requirements>
         <requirement type="package" version="@TOOL_VERSION@">riassigner</requirement>
     </requirements>
-    <expand macro="creator"/>
 
     <command detect_errors="exit_code"><![CDATA[
         python -m RIAssigner --reference "$reference_section.reference" "$reference_section.reference.ext" "$reference_section.reference_rt_units" --query "$query_section.query" "$query_section.query.ext" "$query_section.query_rt_units" --method "$method" --output "output.${query_section.query.ext}" &&
@@ -37,28 +38,30 @@
                 Expected columns for RI (oneof): ['carbon_number', 'ri', 'retention_index'].
                 ]]></help>
             </param>
-            <param name="reference_rt_units" type="select" display="radio" help="Retention time units in the reference file.">
+            <param name="reference_rt_units" type="select" display="radio"
+                   help="Retention time units in the reference file.">
                 <option value="seconds" selected="true">Seconds</option>
                 <option value="min">Minutes</option>
             </param>
         </section>
         <param label="Computation method" name="method" type="select" display="radio" help="Computation method to use.">
             <option value="kovats" selected="true">Kovats</option>
-            <option value="cubicspline">CubicSpline </option>
+            <option value="cubicspline">CubicSpline</option>
         </param>
     </inputs>
 
     <outputs>
-        <data label="RI using $method of ${query_section.query.element_identifier}" name="output" format_source="query" metadata_source="query"/>
+        <data label="RI using $method of ${query_section.query.element_identifier}" name="output" format_source="query"
+              metadata_source="query"/>
     </outputs>
 
     <tests>
         <test>
-            <param name="query" value="aplcms_aligned_peaks.csv" ftype="csv" />
-            <param name="query_rt_units" value="seconds" />
-            <param name="reference" value="Alkanes_20210325.csv" ftype="csv" />
-            <param name="reference_rt_units" value="seconds" />
-            <param name="method" value="kovats" />
+            <param name="query" value="aplcms_aligned_peaks.csv" ftype="csv"/>
+            <param name="query_rt_units" value="seconds"/>
+            <param name="reference" value="Alkanes_20210325.csv" ftype="csv"/>
+            <param name="reference_rt_units" value="seconds"/>
+            <param name="method" value="kovats"/>
             <output name="output" file="results.csv" ftype="csv"/>
         </test>
     </tests>