Mercurial > repos > muon-spectroscopy-computational-project > larch_artemis

diff larch_artemis.xml @ 6:d17c5d62802f draft

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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit be7fc75b35a77b50a588575ca0749c43f8fd7cf5
author muon-spectroscopy-computational-project
date Fri, 23 Aug 2024 16:44:13 +0000
parents 7acb53ffb96f
children e0407f36fcea
line wrap: on
line diff
--- a/larch_artemis.xml	Fri Aug 23 13:46:13 2024 +0000
+++ b/larch_artemis.xml	Fri Aug 23 16:44:13 2024 +0000
@@ -4,11 +4,10 @@
         <!-- version of underlying tool (PEP 440) -->
         <token name="@TOOL_VERSION@">0.9.80</token>
         <!-- version of this tool wrapper (integer) -->
-        <token name="@WRAPPER_VERSION@">0</token>
+        <token name="@WRAPPER_VERSION@">1</token>
         <!-- citation should be updated with every underlying tool version -->
         <!-- typical fields to update are version, month, year, and doi -->
         <token name="@TOOL_CITATION@">10.1088/1742-6596/430/1/012007</token>
-        <import>macros.xml</import>
     </macros>
     <creator>
         <person givenName="Patrick" familyName="Austin" url="https://github.com/patrick-austin" identifier="https://orcid.org/0000-0002-6279-7823"/>
@@ -58,7 +57,7 @@
                 <repeat name="simultaneous" title="Simultaneous datasets" min="1" default="1">
                     <param name="prj_file" type="data" format="prj" label="Athena project files" help="Normalised X-ray Absorption Fine Structure (XAFS) data, in Athena project format. These will be submitted as a single job performing a simultaneous fit."/>
                     <repeat name="paths" title="Path IDs to select" min="1" default="1">
-                        <param name="path_id" type="integer" min="1" label="Path ID"/>
+                        <param name="path_id" type="integer" value="1" min="1" label="Path ID"/>
                     </repeat>
                 </repeat>
             </when>
@@ -362,8 +361,14 @@
                 <param name="prj_file" value="test.prj"/>
                 <repeat name="paths">
                     <param name="path_id" value="1"/>
+                </repeat>
+                <repeat name="paths">
                     <param name="path_id" value="2"/>
+                </repeat>
+                <repeat name="paths">
                     <param name="path_id" value="3"/>
+                </repeat>
+                <repeat name="paths">
                     <param name="path_id" value="4"/>
                 </repeat>
             </repeat>
@@ -371,8 +376,14 @@
                 <param name="prj_file" value="test.prj"/>
                 <repeat name="paths">
                     <param name="path_id" value="1"/>
+                </repeat>
+                <repeat name="paths">
                     <param name="path_id" value="2"/>
+                </repeat>
+                <repeat name="paths">
                     <param name="path_id" value="3"/>
+                </repeat>
+                <repeat name="paths">
                     <param name="path_id" value="4"/>
                 </repeat>
             </repeat>
@@ -387,7 +398,7 @@
             <param name="window" value="hanning"/>
             <param name="rmin" value="1.4"/>
             <param name="rmax" value="3.0"/>
-            <output name="fit_report" file="fit_report.txt" compare="re_match"/>
+            <output name="fit_report" file="fit_report_simultaneous.txt" compare="re_match"/>
         </test>
     </tests>
     <help><![CDATA[