Mercurial > repos > metexplore > met4j
diff tools/attributes/SetCharges/SetCharges.xml @ 11:40c15b7467f1 draft default tip
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 61dbdbae896d18b519a470e056cb8b4f98394518
author | metexplore |
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date | Thu, 13 Feb 2025 15:08:22 +0000 |
parents | 6a112eaf8f38 |
children |
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--- a/tools/attributes/SetCharges/SetCharges.xml Mon Feb 03 15:59:46 2025 +0000 +++ b/tools/attributes/SetCharges/SetCharges.xml Thu Feb 13 15:08:22 2025 +0000 @@ -1,11 +1,11 @@ <?xml version="1.0" encoding="UTF-8" standalone="no"?> -<tool id="met4j_SetCharges" name="SetCharges" version="2.0.0"> +<tool id="met4j_SetCharges" name="SetCharges" version="2.0.1"> <description>Set charge to metabolites in a SBML file from a tabulated file containing the metabolite ids and the charges</description> <xrefs> <xref type="bio.tools">met4j</xref> </xrefs> <requirements> - <container type="singularity">oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:2.0.0</container> + <container type="singularity">oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:2.0.1</container> </requirements> <command detect_errors="exit_code"><![CDATA[sh /usr/bin/met4j.sh attributes.SetCharges#if str($colcharge) != 'nan': -cc "$colcharge" @@ -50,63 +50,117 @@ </outputs> <tests> <test> + <param name="sbml" value="toy_model.xml"/> + <param name="tab" value="charges.tsv"/> + <output ftype="sbml" name="out"> + <assert_contents> + <is_valid_xml/> + <has_line_matching expression=".*fbc:charge=.2.*" n="1"/> + <has_line_matching expression=".*fbc:charge=.-3.*" n="1"/> + </assert_contents> + </output> + </test> <test> + <param name="sbml" value="toy_model.xml"/> + <param name="tab" value="chargesWithComment.tsv"/> + <output ftype="sbml" name="out"> + <assert_contents> + <is_valid_xml/> + <has_line_matching expression=".*fbc:charge=.2.*" n="1" negate="true"/> + <has_line_matching expression=".*fbc:charge=.-3.*" n="1"/> + </assert_contents> + </output> + </test> <test> + <param name="sbml" value="toy_model.xml"/> + <param name="tab" value="charges.tsv"/> + <param name="nSkip" value="1"/> + <output ftype="sbml" name="out"> + <assert_contents> + <is_valid_xml/> + <has_line_matching expression=".*fbc:charge=.2.*" n="1" negate="true"/> + <has_line_matching expression=".*fbc:charge=.-3.*" n="1"/> + </assert_contents> + </output> + </test> <test> + <param name="sbml" value="toy_model.xml"/> + <param name="tab" value="charges.tsv"/> + <param name="ci" value="2"/> + <param name="cc" value="3"/> + <output ftype="sbml" name="out"> + <assert_contents> + <is_valid_xml/> + <has_line_matching expression=".*fbc:charge=.2.*" n="1"/> + <has_line_matching expression=".*fbc:charge=.-3.*" n="1"/> + </assert_contents> + </output> + </test> <test> + <param name="sbml" value="XF_network.sbml"/> + <param name="tab" value="chargesXF.tsv"/> + <param name="p" value="true"/> + <param name="s" value="true"/> + <output ftype="sbml" name="out"> + <assert_contents> + <is_valid_xml/> + <has_line_matching expression=".*fbc:charge=.-1000.*" n="3"/> + </assert_contents> + </output> + </test> </tests> <help><![CDATA[Set charge to metabolites in a SBML file from a tabulated file containing the metabolite ids and the charges