diff ExternalCalibration.xml @ 14:1168fee85066 draft

planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
author galaxyp
date Thu, 01 Dec 2022 19:03:40 +0000
parents 61f5ad339398
children 8bdbd9b42f3e
line wrap: on
line diff
--- a/ExternalCalibration.xml	Fri Nov 06 20:37:32 2020 +0000
+++ b/ExternalCalibration.xml	Thu Dec 01 19:03:40 2022 +0000
@@ -1,13 +1,11 @@
 <?xml version='1.0' encoding='UTF-8'?>
 <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTDConverter.-->
 <!--Proposed Tool Section: [Signal processing and preprocessing]-->
-<tool id="ExternalCalibration" name="ExternalCalibration" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@" profile="20.05">
+<tool id="ExternalCalibration" name="ExternalCalibration" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.05">
   <description>Applies an external mass recalibration.</description>
   <macros>
     <token name="@EXECUTABLE@">ExternalCalibration</token>
     <import>macros.xml</import>
-    <import>macros_autotest.xml</import>
-    <import>macros_test.xml</import>
   </macros>
   <expand macro="requirements"/>
   <expand macro="stdio"/>
@@ -41,17 +39,17 @@
     <configfile name="hardcoded_json"><![CDATA[{"log": "log.txt", "threads": "\${GALAXY_SLOTS:-1}", "no_progress": true}]]></configfile>
   </configfiles>
   <inputs>
-    <param name="in" argument="-in" type="data" format="mzml" optional="false" label="Input peak file" help=" select mzml data sets(s)"/>
-    <param name="offset" argument="-offset" type="float" optional="true" value="0.0" label="Mass offset in ppm" help=""/>
-    <param name="slope" argument="-slope" type="float" optional="true" value="0.0" label="Slope (dependent on m/z)" help=""/>
-    <param name="power" argument="-power" type="float" optional="true" value="0.0" label="Power (dependent on m/z)" help=""/>
-    <param name="ms_level" argument="-ms_level" type="text" optional="true" value="1 2 3" label="Target MS levels to apply the transformation onto" help="Scans with other levels remain unchanged (space separated list, in order to allow for spaces in list items surround them by single quotes)">
-      <expand macro="list_integer_valsan"/>
+    <param argument="-in" type="data" format="mzml" optional="false" label="Input peak file" help=" select mzml data sets(s)"/>
+    <param argument="-offset" type="float" optional="true" value="0.0" label="Mass offset in ppm" help=""/>
+    <param argument="-slope" type="float" optional="true" value="0.0" label="Slope (dependent on m/z)" help=""/>
+    <param argument="-power" type="float" optional="true" value="0.0" label="Power (dependent on m/z)" help=""/>
+    <param argument="-ms_level" type="text" optional="true" value="1 2 3" label="Target MS levels to apply the transformation onto" help="Scans with other levels remain unchanged (space separated list, in order to allow for spaces in list items surround them by single quotes)">
+      <expand macro="list_integer_valsan" name="ms_level"/>
     </param>
     <expand macro="adv_opts_macro">
-      <param name="force" argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overrides tool-specific checks" help=""/>
-      <param name="test" argument="-test" type="hidden" optional="true" value="False" label="Enables the test mode (needed for internal use only)" help="">
-        <expand macro="list_string_san"/>
+      <param argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overrides tool-specific checks" help=""/>
+      <param argument="-test" type="hidden" optional="true" value="False" label="Enables the test mode (needed for internal use only)" help="">
+        <expand macro="list_string_san" name="test"/>
       </param>
     </expand>
     <param name="OPTIONAL_OUTPUTS" type="select" optional="true" multiple="true" label="Optional outputs">
@@ -64,13 +62,48 @@
       <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter>
     </data>
   </outputs>
-  <tests>
-    <expand macro="autotest_ExternalCalibration"/>
-    <expand macro="manutest_ExternalCalibration"/>
+  <tests><!-- TOPP_ExternalCalibration_1_MS1 -->
+    <test expect_num_outputs="2">
+      <section name="adv_opts">
+        <param name="force" value="false"/>
+        <param name="test" value="true"/>
+      </section>
+      <param name="in" value="ExternalCalibration_1_input.mzML"/>
+      <output name="out" file="ExternalCalibration_1_MS1_out.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
+      <param name="offset" value="-5.5"/>
+      <param name="slope" value="0.0001"/>
+      <param name="power" value="0.0"/>
+      <param name="ms_level" value="1"/>
+      <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
+      <output name="ctd_out" ftype="xml">
+        <assert_contents>
+          <is_valid_xml/>
+        </assert_contents>
+      </output>
+    </test>
+    <!-- TOPP_ExternalCalibration_2_MS2 -->
+    <test expect_num_outputs="2">
+      <section name="adv_opts">
+        <param name="force" value="false"/>
+        <param name="test" value="true"/>
+      </section>
+      <param name="in" value="ExternalCalibration_1_input.mzML"/>
+      <output name="out" file="ExternalCalibration_2_MS2_out.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
+      <param name="offset" value="-5.5"/>
+      <param name="slope" value="0.0001"/>
+      <param name="power" value="0.0"/>
+      <param name="ms_level" value="2"/>
+      <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
+      <output name="ctd_out" ftype="xml">
+        <assert_contents>
+          <is_valid_xml/>
+        </assert_contents>
+      </output>
+    </test>
   </tests>
   <help><![CDATA[Applies an external mass recalibration.
 
 
-For more information, visit http://www.openms.de/doxygen/release/2.6.0/html/TOPP_ExternalCalibration.html]]></help>
+For more information, visit http://www.openms.de/doxygen/release/2.8.0/html/TOPP_ExternalCalibration.html]]></help>
   <expand macro="references"/>
 </tool>