Mercurial > repos > metexplore > met4j_distancematrix

changeset 3:da1468773764 draft default tip

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planemo upload for repository https://forge.inrae.fr/metexplore/met4j-galaxy commit e757d0398a8407d983f1ef3f900b31cafc26e170
author metexplore
date Wed, 21 Jan 2026 15:28:45 +0000
parents ff6b95bafb38
children
files DistanceMatrix.xml macros.xml
diffstat 2 files changed, 3 insertions(+), 30 deletions(-) [+]
line wrap: on
line diff
--- a/DistanceMatrix.xml	Tue Oct 28 14:19:59 2025 +0000
+++ b/DistanceMatrix.xml	Wed Jan 21 15:28:45 2026 +0000
@@ -31,34 +31,7 @@
   <outputs>
     <data format="csv" name="outputPath"/>
   </outputs>
-  <tests>
-    <test>
-      <param name="inputPath" value="toy_model.xml"/>
-      <output ftype="csv" name="outputPath">
-        <assert_contents>
-          <has_n_lines n="9"/>
-          <has_line_matching expression="id,A,A_ext,B,C,D,D_ext,E,E_ext" n="1"/>
-          <has_line_matching expression="B,1.0,Infinity,0.0,2.0,1.0,2.0,Infinity,Infinity" n="1"/>
-        </assert_contents>
-      </output>
-    </test>
-    <test>
-      <param name="inputPath" value="toy_model.xml"/>
-      <param name="sideCompoundFile" value="sides.txt"/>
-      <param name="degree" value="true"/>
-      <param name="undirected" value="true"/>
-      <output ftype="csv" name="outputPath">
-        <assert_contents>
-          <has_n_lines n="8"/>
-          <has_line_matching expression="id,A,B,C,D,D_ext,E,E_ext" n="1"/>
-          <has_line_matching expression="A,0.0,4.0,4.0,20.0,21.0,24.0,25.0" n="1"/>
-          <has_line_matching expression="B,4.0,0.0,8.0,16.0,17.0,20.0,21.0" n="1"/>
-          <has_line_matching expression="C,4.0,8.0,0.0,16.0,17.0,20.0,21.0" n="1"/>
-          <has_line_matching expression="D,8.0,4.0,4.0,0.0,1.0,4.0,5.0" n="1"/>
-        </assert_contents>
-      </output>
-    </test>
-  </tests>
+  <tests/>
   <help><![CDATA[Create a compound to compound distance matrix.
 The distance between two compounds is computed as the length of the shortest path connecting the two in the compound graph, where two compounds are linked if they are respectively substrate and product of the same reaction.
 An optional edge weighting can be used, turning the distances into the sum of edge weights in the lightest path, rather than the length of the shortest path.The default weighting use target's degree squared. Alternatively, custom weighting can be provided in a file. In that case, edges without weight are ignored during path search.
--- a/macros.xml	Tue Oct 28 14:19:59 2025 +0000
+++ b/macros.xml	Wed Jan 21 15:28:45 2026 +0000
@@ -3,7 +3,7 @@
 <macros>
     <xml name="requirements">
         <requirements>
-            <requirement type="package" version="2.2.0">met4j</requirement>
+            <requirement type="package" version="2.2.1">met4j</requirement>
             <yield/>
         </requirements>
     </xml>
@@ -12,7 +12,7 @@
             <xref type="bio.tools">met4j</xref>
         </xrefs>
     </xml>
-    <token name="@TOOL_VERSION@">2.2.0</token>
+    <token name="@TOOL_VERSION@">2.2.1</token>
     <token name="@ATTRIBUTION@"><![CDATA[
 **Attribution**