diff bih4maconda.xml @ 1:2744d20c830a draft default tip

" master branch Updating with tag :CI_COMMIT_TAG - - Fxx"
author fgiacomoni
date Fri, 27 Nov 2020 11:21:58 +0000
parents de13e2c45971
children
line wrap: on
line diff
--- a/bih4maconda.xml	Tue Jan 21 15:49:00 2020 -0500
+++ b/bih4maconda.xml	Fri Nov 27 11:21:58 2020 +0000
@@ -1,9 +1,9 @@
-<tool id="bih4maconda" name="Bih4MaConDa" version="0.1.3">
+<tool id="bih4maconda" name="Bih4MaConDa" version="0.1.4">
   <description>
 	: Utility to detect potential contaminants in your peak list based on MaConDa database
   </description>
   <requirements>
-  	<requirement type="package" version="0.2.0">perl-metabolomics-fragment-annotation</requirement>
+  	<requirement type="package" version="0.6.3">perl-metabolomics-fragment-annotation</requirement>
   </requirements>
   <stdio>
       <exit_code range="1" level="fatal" />
@@ -56,13 +56,26 @@
     <data name="outFull" format="tabular" label="${variableMetadata_in.name[:-6]}.BIH4MACONDA_Full.tabular" />
     <data name="outputTab" format="tabular" label="${variableMetadata_in.name[:-6]}.BIH4MACONDA.tabular" />
   </outputs>
-
+  <tests>
+    <!--test 01 : short input id, mz and rt data -->
+    <test>
+      <param name="variableMetadata_in" value="in_test01_pos.tabular"/>
+      <param name="header_choice" value="YES"/>
+      <param name="header" value="1"/>
+      <param name="colmass" value="2"/>
+      <param name="ppm_error" value="5"/>
+      <param name="mode" value="POSITIVE"/>
+      <param name="verbose" value="3"/>
+      <output name="outFull" file="outFull_test01.tabular"/>
+      <output name="outputTab" file="outTab_test01.tabular"/>
+    </test>
+  </tests>
   <help><![CDATA[
 
 .. class:: infomark
 
 **Authors**
-  | Franck Giacomoni - FLAME ; PFEM ; INRA ; MetaboHUB (for original version and development of this Perl script and for xml interface and Perl wrapper)
+  | Franck Giacomoni - FLAME ; PFEM ; INRA ; MetaboHUB (for original version and development of this Perl script and for xml interface and Perl wrapper) - based on the Perl CPAN package Metabolomics::Fragmentation::Annotation
 
 ---------------------------------------------------
 
@@ -168,7 +181,7 @@
 
 .. class:: warningmark
 
-And their "W4M courses 2018":
+And their "W4M courses 2019":
  | Using Galaxy4Metabolomics - W4M table format for Galaxy
  | Annotation Banks - Annotation