Mercurial > repos > recetox > recetox_aplcms_hybrid
diff recetox_aplcms_hybrid.xml @ 11:ab2b7948bdb7 draft
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/recetox_aplcms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
author | recetox |
---|---|
date | Fri, 28 Jan 2022 16:26:36 +0000 |
parents | 27853894eeac |
children | 8ff3d8d21333 |
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--- a/recetox_aplcms_hybrid.xml Thu Oct 21 15:03:51 2021 +0000 +++ b/recetox_aplcms_hybrid.xml Fri Jan 28 16:26:36 2022 +0000 @@ -1,14 +1,15 @@ <tool id="recetox_aplcms_hybrid" name="RECETOX apLCMS Hybrid" version="@TOOL_VERSION@+galaxy2"> <description>generate a feature table from LC/MS spectra</description> <macros> - <import>recetox_aplcms_macros.xml</import> + <import>macros.xml</import> </macros> - <expand macro="requirements" /> + <expand macro="creator"/> + + <expand macro="requirements"/> <command detect_errors="aggressive"><![CDATA[ sh ${symlink_inputs} && Rscript -e 'source("${__tool_directory__}/main.R")' -e 'source("${run_script}")' ]]></command> - <expand macro="creator" /> <configfiles> <configfile name="symlink_inputs"> #for $infile in $files @@ -57,46 +58,43 @@ </configfiles> <expand macro="inputs"> - <expand macro="history_db" /> - <expand macro="noise_filtering" /> - <expand macro="feature_detection" /> - <expand macro="peak_alignment" /> - <expand macro="weak_signal_recovery" /> - <expand macro="output_format" /> + <expand macro="history_db"/> + <expand macro="noise_filtering"/> + <expand macro="feature_detection"/> + <expand macro="peak_alignment"/> + <expand macro="weak_signal_recovery"/> + <expand macro="output_format"/> </expand> <outputs> - <expand macro="unsupervised_outputs" /> - <data name="updated_known_table" format="parquet" label="${tool.name} updated_known_table on ${on_string}" /> - <data name="feature_known_table_pairing" format="tabular" label="${tool.name} feature_known_table_pairing on ${on_string}" hidden="true" /> + <expand macro="unsupervised_outputs"/> + <data name="updated_known_table" format="parquet" label="${tool.name} updated_known_table on ${on_string}"/> + <data name="feature_known_table_pairing" format="tabular" + label="${tool.name} feature_known_table_pairing on ${on_string}" hidden="true"/> </outputs> <tests> <test> - <param name="known_table" value="known_table.parquet" ftype="parquet" /> - <param name="files" value="mbr_test0.mzml,mbr_test1.mzml,mbr_test2.mzml" ftype="mzml" /> - <output name="recovered_feature_sample_table" file="hybrid_recovered_feature_sample_table.parquet" ftype="parquet" /> + <param name="known_table" value="known_table.parquet" ftype="parquet"/> + <param name="files" value="mbr_test0.mzml,mbr_test1.mzml,mbr_test2.mzml" ftype="mzml"/> + <output name="recovered_feature_sample_table" file="hybrid_recovered_feature_sample_table.parquet" + ftype="parquet"/> </test> <test> - <param name="known_table" value="known_table.parquet" ftype="parquet" /> - <param name="files" value="mbr_test0.mzml,mbr_test1.mzml,mbr_test2.mzml" ftype="mzml" /> + <param name="known_table" value="known_table.parquet" ftype="parquet"/> + <param name="files" value="mbr_test0.mzml,mbr_test1.mzml,mbr_test2.mzml" ftype="mzml"/> <section name="output_format"> - <param name="out_format" value="recetox" /> + <param name="out_format" value="recetox"/> </section> - <output name="recovered_feature_sample_table" file="hybrid.recetox.parquet" ftype="parquet" /> + <output name="recovered_feature_sample_table" file="hybrid.recetox.parquet" ftype="parquet"/> </test> </tests> <help> - This is the Hybrid version of apLCMS which is incorporating the knowledge of known metabolites and historically - detected features on the same machinery to help detect and quantify lower-intensity peaks. - - CAUTION: To use such knowledge, especially historical data, you must keep using (1) the same chromatography - system (otherwise the retention time will not match), and (2) the same type of samples with similar extraction - technique, such as human serum. - - @GENERAL_HELP@ + <![CDATA[ + @HELP_hybrid@ + ]]> </help> - <expand macro="citations" /> + <expand macro="citations"/> </tool>