Mercurial > repos > tduigou > inchi_to_sink
view inchi_to_sink.xml @ 1:b560a9e57ccf draft
"planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
author | tduigou |
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date | Thu, 03 Feb 2022 14:18:42 +0000 |
parents | ef125d2f57c3 |
children | 3627d3e49889 |
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<tool id="inchi_to_sink" name="Inchi to sink" version="@TOOL_VERSION@" profile="19.09"> <description>Convert InChI input to CSV sink</description> <macros> <token name="@TOOL_VERSION@">1.0.0</token> </macros> <requirements> <requirement type="package" version="0.5">echo</requirement> </requirements> <command detect_errors="exit_code"><![CDATA[ #set inchi=$source_inchi.rstrip() echo -e '"name","inchi"\n"$source_name","$inchi"' > '$sink' ]]></command> <inputs> <param name="source_inchi" type="text" label="Source InChI" optional="false"> <validator type="empty_field" message="InChI string is required"/> </param> <param name="source_name" type="text" value="Biosensor" label="Source name"> <validator type="empty_field" message="Source name is required"/> </param> </inputs> <outputs> <data name="sink" format="csv" label="${tool.name} - ${source_name}" /> </outputs> <tests> <test> <!-- test 1: check if identical outputs are produced --> <param name="source_inchi" value="InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1" /> <param name="source_name" value="Choline" /> <output name="sink" file="sink_to-detect_choline.csv" ftype="csv" compare="diff"/> </test> </tests> <help><![CDATA[ Inchi to sink =============== Convert Inchi string to CSV sink file for Retropath2.0 Input. Input ----- Required: * **source_inchi**\ : (string) Inchi string Optional: * **source_name**\ : (string) Inchi name (Default=target) Version ---------- 1.0.0 Authors ------- * **Kenza BAZI KABBAJ** ]]></help> </tool>