Mercurial > repos > recetox > matchms_metadata_export
diff matchms_metadata_export.xml @ 2:f04610d25411 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
author | recetox |
---|---|
date | Tue, 27 Jun 2023 14:24:34 +0000 |
parents | dfdbccfa8753 |
children | 7504a8f93699 |
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--- a/matchms_metadata_export.xml Thu May 25 09:07:17 2023 +0000 +++ b/matchms_metadata_export.xml Tue Jun 27 14:24:34 2023 +0000 @@ -1,11 +1,14 @@ -<tool id="matchms_metadata_export" name="matchms metadata export " version="0.19.0+galaxy0" profile="21.05"> +<tool id="matchms_metadata_export" name="matchms metadata export " version="@TOOL_VERSION@+galaxy0" profile="21.09"> <description>extract all metadata from mass spectra file to tabular format</description> <macros> <import>macros.xml</import> + <import>help.xml</import> </macros> <expand macro="creator"/> + <expand macro="bio.tools"/> + <requirements> - <requirement type="package" version="0.19.0">matchms</requirement> + <requirement type="package" version="@TOOL_VERSION@">matchms</requirement> </requirements> <command detect_errors='aggressive'><![CDATA[ @@ -14,7 +17,6 @@ <configfiles> <configfile name="matchms_python_cli"> -import pandas from matchms.importing import load_from_msp, load_from_mgf from matchms.exporting.metadata_export import export_metadata_as_csv @@ -45,15 +47,15 @@ </test> </tests> - <help><![CDATA[ - Documentation - Mass spectral libraries are often stored in various formats, such as `msp`, `mgf` or `json`. - This tool can be used to export the metadata accompanying the actual spectral information to a tabular file. - - During harmonization of metadata, some of the keywords might change during the conversion process to a unified form. - - For more documentation on the matchms library see https://github.com/matchms/matchms/blob/master/README.rst and https://matchms.readthedocs.io/en/latest/. - ]]></help> + <help> + Documentation + Mass spectral libraries are often stored in various formats, such as `msp`, `mgf` or `json`. + This tool can be used to export the metadata accompanying the actual spectral to a tabular file, + creating a column for each attribute and a row for each spectrum. + All keys which are present in at least one spectrum are contained in the output. + + @HELP_matchms@ + </help> <expand macro="citations"/> </tool>