Mercurial > repos > recetox > matchms_split
diff matchms_split.xml @ 4:0cf68b536cd1 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
| author | recetox |
|---|---|
| date | Tue, 27 Jun 2023 14:25:30 +0000 |
| parents | 169c72b2ce79 |
| children | 97be845e45c2 |
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--- a/matchms_split.xml Thu May 25 09:06:58 2023 +0000 +++ b/matchms_split.xml Tue Jun 27 14:25:30 2023 +0000 @@ -1,8 +1,13 @@ -<tool id="matchms_split" name="matchms split library" version="@TOOL_VERSION@+galaxy0" python_template_version="3.7"> +<tool id="matchms_split" name="matchms split library" version="@TOOL_VERSION@+galaxy0" profile="21.09"> + <description>split a large library into subsets</description> <macros> <import>macros.xml</import> + <import>help.xml</import> </macros> - + <edam_operations> + <edam_operation>operation_3359</edam_operation> + </edam_operations> + <expand macro="bio.tools"/> <expand macro="creator"/> <requirements> @@ -48,16 +53,16 @@ <param name="msp_input" value="split/sample_input.msp" /> <param name="split_type" value="one-per-file" /> <output_collection name="sample" type="list"> - <element name="1NITROPYRENE" file="split/one-per-file/1NITROPYRENE.msp" ftype="msp" compare="contains"/> - <element name="35DICHLOROPHENOL" file="split/one-per-file/35DICHLOROPHENOL.msp" ftype="msp" compare="contains"/> - <element name="34DICHLOROPHENOL" file="split/one-per-file/34DICHLOROPHENOL.msp" ftype="msp" compare="contains"/> - <element name="26DICHLOROPHENOL" file="split/one-per-file/26DICHLOROPHENOL.msp" ftype="msp" compare="contains"/> - <element name="25DICHLOROPHENOL" file="split/one-per-file/25DICHLOROPHENOL.msp" ftype="msp" compare="contains"/> - <element name="24DINITROPHENOL" file="split/one-per-file/24DINITROPHENOL.msp" ftype="msp" compare="contains"/> - <element name="24DICHLOROPHENOL" file="split/one-per-file/24DICHLOROPHENOL.msp" ftype="msp" compare="contains"/> - <element name="246TRICHLOROPHENOL" file="split/one-per-file/246TRICHLOROPHENOL.msp" ftype="msp" compare="contains"/> - <element name="245TRICHLOROPHENOL" file="split/one-per-file/245TRICHLOROPHENOL.msp" ftype="msp" compare="contains"/> - <element name="23DICHLOROPHENOL" file="split/one-per-file/23DICHLOROPHENOL.msp" ftype="msp" compare="contains"/> + <element name="1NITROPYRENE" file="split/one-per-file/1NITROPYRENE.msp" ftype="msp" compare="diff"/> + <element name="23DICHLOROPHENOL" file="split/one-per-file/23DICHLOROPHENOL.msp" ftype="msp" compare="diff"/> + <element name="245TRICHLOROPHENOL" file="split/one-per-file/245TRICHLOROPHENOL.msp" ftype="msp" compare="diff"/> + <element name="246TRICHLOROPHENOL" file="split/one-per-file/246TRICHLOROPHENOL.msp" ftype="msp" compare="diff"/> + <element name="24DICHLOROPHENOL" file="split/one-per-file/24DICHLOROPHENOL.msp" ftype="msp" compare="diff"/> + <element name="24DINITROPHENOL" file="split/one-per-file/24DINITROPHENOL.msp" ftype="msp" compare="diff"/> + <element name="25DICHLOROPHENOL" file="split/one-per-file/25DICHLOROPHENOL.msp" ftype="msp" compare="diff"/> + <element name="26DICHLOROPHENOL" file="split/one-per-file/26DICHLOROPHENOL.msp" ftype="msp" compare="diff"/> + <element name="34DICHLOROPHENOL" file="split/one-per-file/34DICHLOROPHENOL.msp" ftype="msp" compare="diff"/> + <element name="35DICHLOROPHENOL" file="split/one-per-file/35DICHLOROPHENOL.msp" ftype="msp" compare="diff"/> </output_collection> </test> <test> @@ -65,8 +70,8 @@ <param name="split_type" value="num-chunks" /> <param name="num_chunks" value="2" /> <output_collection name="sample" type="list"> - <element name="chunk_0" file="split/num-chunks/chunk_0.msp" ftype="msp" compare="contains"/> - <element name="chunk_1" file="split/num-chunks/chunk_1.msp" ftype="msp" compare="contains"/> + <element name="chunk_0" file="split/num-chunks/chunk_0.msp" ftype="msp" compare="diff"/> + <element name="chunk_1" file="split/num-chunks/chunk_1.msp" ftype="msp" compare="diff"/> </output_collection> </test> <test> @@ -74,16 +79,20 @@ <param name="split_type" value="chunk-size" /> <param name="chunk_size" value="4" /> <output_collection name="sample" type="list"> - <element name="chunk_0" file="split/chunk-size/chunk_0.msp" ftype="msp" compare="contains"/> - <element name="chunk_1" file="split/chunk-size/chunk_1.msp" ftype="msp" compare="contains"/> - <element name="chunk_2" file="split/chunk-size/chunk_2.msp" ftype="msp" compare="contains"/> + <element name="chunk_0" file="split/chunk-size/chunk_0.msp" ftype="msp" compare="diff"/> + <element name="chunk_1" file="split/chunk-size/chunk_1.msp" ftype="msp" compare="diff"/> + <element name="chunk_2" file="split/chunk-size/chunk_2.msp" ftype="msp" compare="diff"/> </output_collection> </test> </tests> - <help><![CDATA[ - Splitmsp handles input/output files in MSP format using the matchms.importing and matchms.exporting modules (https://matchms.readthedocs.io/en/latest/index.html). + <help> + Description + This tool can be used to split a mass spectral library into smaller subsets for further processing. + This can be used to perform efficient spectral matching with large libraries, using job-level parallelism. - Please observe that the `num-chunks` method does not preserve the order of the elements as it uses a `round robin` distribution. - ]]></help> + Please observe that the `num-chunks` method does not preserve the order of the elements as it uses a `round robin` distribution. + + @HELP_matchms@ + </help> <expand macro="citations"/> </tool> \ No newline at end of file