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<?xml version="1.0" encoding="UTF-8" standalone="no"?>
<tool id="met4j_GetMetaboliteAttributes" name="GetMetaboliteAttributes" version="develop">
  <description>Create a tabulated file with metabolite attributes from a SBML file</description>
  <xrefs>
    <xref type="bio.tools">met4j</xref>
  </xrefs>
  <requirements>
    <container type="singularity">oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:develop</container>
  </requirements>
  <command detect_errors="exit_code"><![CDATA[sh /usr/bin/met4j.sh attributes.GetMetaboliteAttributes -i "$sbml"
 -o "$outputFile"
]]></command>
  <inputs>
    <param argument="-i" format="sbml" label="Input SBML file" name="sbml" optional="false" type="data" value=""/>
  </inputs>
  <outputs>
    <data format="tsv" name="outputFile"/>
  </outputs>
  <tests>
    <test>


      <param name="sbml" value="toy_model.xml"/>


      <output ftype="tsv" name="outputFile">


        <assert_contents>


          <has_n_lines n="9"/>


          <has_n_columns n="6"/>


          <has_line_matching expression=".*1S/C2H6O/c1-2-3/h3H,2H2,1H3.*" n="1"/>


          <has_line_matching expression=".*C.*NC.*" n="1"/>


        </assert_contents>


      </output>


    </test>
  </tests>
  <help><![CDATA[Create a tabulated file with metabolite attributes from a SBML file]]></help>
  <citations/>
</tool>
author	metexplore
date	Fri, 31 Jan 2025 18:28:53 +0000
parents
children	6a112eaf8f38