diff tools/convert/Tab2Sbml/Tab2Sbml.xml @ 0:dcd16521b969 draft

planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
author metexplore
date Fri, 10 Jun 2022 10:31:34 +0000
parents
children 9b162ee6ff8e
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/tools/convert/Tab2Sbml/Tab2Sbml.xml	Fri Jun 10 10:31:34 2022 +0000
@@ -0,0 +1,141 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<tool id="met4j_Tab2Sbml" name="Tab2Sbml" version="0.11.0">
+  <description>Create a Sbml File from a tabulated file that contains the reaction ids and the formulas</description>
+  <xrefs>
+    <xref type="bio.tools">met4j</xref>
+  </xrefs>
+  <requirements>
+    <container type="singularity">oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0</container>
+  </requirements>
+  <command detect_errors="exit_code"><![CDATA[sh /usr/bin/met4j.sh convert.Tab2Sbml#if str($colid) != 'nan':
+ -ci "$colid"
+#end if
+#if str($colformula) != 'nan':
+ -cf "$colformula"
+#end if
+ $rp
+ $mp
+#if str($e):
+ -e "$e"
+#end if
+#if str($i):
+ -i "$i"
+#end if
+#if str($r):
+ -r "$r"
+#end if
+#if str($in) != 'None':
+ -in "$in"
+#end if
+#if str($id):
+ -id "$id"
+#end if
+ $createCompartment
+#if str($defaultCompartment):
+ -dcpt "$defaultCompartment"
+#end if
+#if str($nSkip) != 'nan':
+ -n "$nSkip"
+#end if
+ -sbml "$sbml"
+]]></command>
+  <inputs>
+    <param argument="-ci" label="[1] number of the column where are the reaction ids" name="colid" optional="true" type="integer" value="1"/>
+    <param argument="-cf" label="[2] number of the column where are the reaction formulas" name="colformula" optional="true" type="integer" value="2"/>
+    <param argument="-rp" checked="false" falsevalue="" label="[deactivated] format the reaction ids in a Palsson way (R_***)" name="rp" truevalue="-rp" type="boolean" value="false"/>
+    <param argument="-mp" checked="false" falsevalue="" label="[deactivated] format the metabolite ids in a Palsson way (M_***_c)" name="mp" truevalue="-mp" type="boolean" value="false"/>
+    <param argument="-e" label="[_b] flag to assign metabolite as external" name="e" optional="true" type="text" value="_b">
+      <sanitizer invalid_char="_">
+        <valid initial="string.printable"/>
+      </sanitizer>
+    </param>
+    <param argument="-i" label="[--&gt;] String for irreversible reaction" name="i" optional="true" type="text" value="--&gt;">
+      <sanitizer invalid_char="_">
+        <valid initial="string.printable"/>
+      </sanitizer>
+    </param>
+    <param argument="-r" label="[&lt;==&gt;] String for reversible reaction" name="r" optional="true" type="text" value="&lt;==&gt;">
+      <sanitizer invalid_char="_">
+        <valid initial="string.printable"/>
+      </sanitizer>
+    </param>
+    <param argument="-in" format="tsv" label="Tabulated file" name="in" optional="true" type="data" value=""/>
+    <param argument="-id" label="[NA] Model id written in the SBML file" name="id" optional="true" type="text" value="NA">
+      <sanitizer invalid_char="_">
+        <valid initial="string.printable"/>
+      </sanitizer>
+    </param>
+    <param argument="-cpt" checked="false" falsevalue="" label="[deactivated] Create compartment from metabolite suffixes. If this option is deactivated, only one compartment (the default compartment) will be created" name="createCompartment" truevalue="-cpt" type="boolean" value="false"/>
+    <param argument="-dcpt" label="[c] Default compartment" name="defaultCompartment" optional="true" type="text" value="c">
+      <sanitizer invalid_char="_">
+        <valid initial="string.printable"/>
+      </sanitizer>
+    </param>
+    <param argument="-n" label="[0] Number of lines to skip at the beginning of the tabulated file" name="nSkip" optional="true" type="integer" value="0"/>
+  </inputs>
+  <outputs>
+    <data format="sbml" name="sbml"/>
+  </outputs>
+  <tests>
+    <test>
+      <param name="in" value="toy_model.tsv"/>
+      <output ftype="sbml" name="sbml">
+        <assert_contents>
+          <is_valid_xml/>
+          <has_line_matching expression=".*reaction .*" n="7"/>
+          <has_line_matching expression=".*species .*" n="8"/>
+        </assert_contents>
+      </output>
+    </test>
+    <test>
+      <param name="in" value="toy_model_otherColumns.tsv"/>
+      <param name="colid" value="2"/>
+      <param name="colformula" value="3"/>
+      <output ftype="sbml" name="sbml">
+        <assert_contents>
+          <is_valid_xml/>
+          <has_line_matching expression=".*reaction .*" n="7"/>
+          <has_line_matching expression=".*species .*" n="8"/>
+        </assert_contents>
+      </output>
+    </test>
+    <test>
+      <param name="in" value="toy_model_otherSigns.tsv"/>
+      <param name="i" value="-&gt;"/>
+      <param name="r" value="="/>
+      <output ftype="sbml" name="sbml">
+        <assert_contents>
+          <is_valid_xml/>
+          <has_line_matching expression=".*reaction .*" n="7"/>
+          <has_line_matching expression=".*species .*" n="8"/>
+        </assert_contents>
+      </output>
+    </test>
+    <test>
+      <param name="in" value="toy_model.tsv"/>
+      <param name="rp" value="true"/>
+      <param name="mp" value="true"/>
+      <param name="e" value="_e"/>
+      <param name="createCompartment" value="true"/>
+      <output ftype="sbml" name="sbml">
+        <assert_contents>
+          <is_valid_xml/>
+          <has_line_matching expression=".*boundaryCondition=.true.*" n="3"/>
+          <has_line_matching expression=".*id=.M_A_ext_e.*" n="1"/>
+          <has_line_matching expression=".*id=.R_reac2.*" n="1"/>
+        </assert_contents>
+      </output>
+    </test>
+    <test>
+      <param name="in" value="toy_model.tsv"/>
+      <param name="id" value="myModel"/>
+      <output ftype="sbml" name="sbml">
+        <assert_contents>
+          <is_valid_xml/>
+          <has_line_matching expression=".*myModel.*" n="1"/>
+        </assert_contents>
+      </output>
+    </test>
+  </tests>
+  <help><![CDATA[Create a Sbml File from a tabulated file that contains the reaction ids and the formulas]]></help>
+</tool>