Mercurial > repos > recetox > recetox_aplcms_remove_noise

diff recetox_aplcms_remove_noise.xml @ 2:caa39ec7a18b draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/recetox_aplcms commit 724ecb1b81ebd8a67488b8a9397177b2ff0357db
author recetox
date Wed, 24 May 2023 14:49:19 +0000
parents e9e9677e8147
children e3acbc988e14
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line diff
--- a/recetox_aplcms_remove_noise.xml	Mon Apr 03 14:56:43 2023 +0000
+++ b/recetox_aplcms_remove_noise.xml	Wed May 24 14:49:19 2023 +0000
@@ -15,11 +15,11 @@
         <configfile name="run_script"><![CDATA[
             sample_name <- readChar('sample_name.txt', file.info('sample_name.txt')\$size)
 
-            profile <- proc.cdf(
+            profile <- remove_noise(
                 filename = '$input_file',
                 min_pres = $min_pres,
                 min_run = $min_run,
-                mz_tol = $mz_tol/1e6,
+                mz_tol = ${mz_tol}/1e6,
                 baseline_correct = $baseline_correct,
                 baseline_correct_noise_percentile = 0.05,
                 intensity_weighted = $intensity_weighted,
@@ -43,7 +43,10 @@
     </outputs>
 
     <tests>
-
+        <test>
+            <param name="input_file" value="mbr_test0.mzml" ftype="mzml"/>
+            <output name="output_file" file="remove_noise_docker.parquet" ftype="parquet" />
+        </test>
     </tests>
 
     <help>