Mercurial > repos > tomnl > msp_split

comparison msp_split.xml @ 5:f2683ec717fe draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a164f06c09dc1614c2909c247ebf390aab433527-dirty
author tomnl
date Wed, 18 Sep 2019 05:46:09 -0400
parents a91e186cf294
children
comparison
equal deleted inserted replaced
4:769ec2496d14 5:f2683ec717fe
1 <tool id="msp_split" name="msp_split" version="0.0.1"> 1 <tool id="msp_split" name="msp_split" version="0.0.2">
2 <description>Slit MSP file into n number of files</description> 2 <description>Slit MSP file into n number of files</description>
3 <macros> 3
4 <import>macros.xml</import>
5 </macros>
6
7 <stdio> 4 <stdio>
8 <exit_code range="1:" /> 5 <exit_code range="1:" />
9 </stdio> 6 </stdio>
10 <command interpreter="python"><![CDATA[ msp_split.py -i $in_msp -o 'spec_out' -n $n ]]></command> 7 <command interpreter="python"><![CDATA[ msp_split.py -i $in_msp -o 'spec_out' -n $n -x $x ]]></command>
11 8
12 <inputs> 9 <inputs>
13 <param name="in_msp" type="data" label="Input MSP file" format="txt,msp" help='MSP file (must have NAME: as the first element in each spectra entry'/> 10 <param name="in_msp" type="data" label="Input MSP file" format="txt,msp" help='MSP file (must have NAME: as the first element in each spectra entry'/>
14 <param name="n" type="integer" label="Number of new files" value="2" 11 <param name="n" type="integer" label="Number of new files" value="2"
15 help="Number of new MSP files to split the original MSP file into"/> 12 help="Number of new MSP files to split the original MSP file into"/>
16 13 <param name="x" type="text" label="Starting parameter for each spectra" value="RECORD_TITLE:"
14 help="Parameter in the MSP file that indicates the start of a each spectra"/>
17 </inputs> 15 </inputs>
18 <outputs> 16 <outputs>
19 <collection name="multiple" type="list" label="${tool.name} on ${on_string}: multi msp files"> 17 <collection name="multiple" type="list" label="${tool.name} on ${on_string}: multi msp files">
20 <discover_datasets pattern="__designation_and_ext__" ext='msp' directory="spec_out" format='msp' /> 18 <discover_datasets pattern="__designation_and_ext__" ext='msp' directory="spec_out" format='msp' />
21 </collection> 19 </collection>
22 </outputs> 20 </outputs>
23 <tests> 21 <tests>
24 <test> 22 <test>
25 <param name="in_msp" value="input.msp"/> 23 <param name="in_msp" value="input.msp"/>
26 <output_collection name="multiple" type="list"> 24 <output_collection name="multiple" type="list">
27 <element name="file1" file="file01.msp" ftype="msp"/> 25 <element name="file1" file="file01.msp" ftype="msp"/>
28 <element name="file2" file="file02.msp" ftype="msp"/> 26 <element name="file2" file="file02.msp" ftype="msp"/>
29 </output_collection> 27 </output_collection>
30 </test> 28 </test>
31
32 </tests> 29 </tests>
33 <help><![CDATA[ 30 <help><![CDATA[
34 ============================================================= 31 =============================================================
35 msp split 32 msp split
36 ============================================================= 33 =============================================================
37 Split a MSP file into n MSP files. Where the the spectra will be divided between n files. 34 Split a MSP file into n MSP files. Where the the spectra will be divided between n files.
38 35
39 ]]></help> 36 ]]></help>
40 37
41 <expand macro="citations" /> 38 <citations>
42 39 <!-- <citation type="doi">10.1021/acs.analchem.6b04358</citation> -->
40 </citations>
41
43 </tool> 42 </tool>