annotate mfassignr_recallist.xml @ 0:6e1813883a9a draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 87bb82e07c57753a71d9ce4efc757c4367200d15
author recetox
date Thu, 15 Aug 2024 12:00:39 +0000
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6e1813883a9a planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 87bb82e07c57753a71d9ce4efc757c4367200d15
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1 <tool id="mfassignr_recallist" name="MFAssignR RecalList" version="@TOOL_VERSION@+galaxy0" profile="23.0">
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2 <description>Identification of candidate series for recalibration.</description>
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3 <macros>
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4 <import>macros.xml</import>
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5 <import>help.xml</import>
6e1813883a9a planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 87bb82e07c57753a71d9ce4efc757c4367200d15
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6 </macros>
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7 <edam_topics>
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8 <edam_topic>topic_3172</edam_topic>
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9 </edam_topics>
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10 <edam_operations>
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11 <edam_operation>operation_3627</edam_operation>
6e1813883a9a planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 87bb82e07c57753a71d9ce4efc757c4367200d15
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12 </edam_operations>
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13 <expand macro="creator" />
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14 <expand macro="requirements" />
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15 <command detect_errors="exit_code"><![CDATA[
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16 Rscript '${run_script}'
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17 ]]></command>
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18 <configfiles>
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19 <configfile name="run_script"><![CDATA[
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20 df <- read.delim("$input_file", sep="\t")
6e1813883a9a planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 87bb82e07c57753a71d9ce4efc757c4367200d15
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21 recal <- MFAssignR::RecalList(
6e1813883a9a planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 87bb82e07c57753a71d9ce4efc757c4367200d15
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22 df = df
6e1813883a9a planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 87bb82e07c57753a71d9ce4efc757c4367200d15
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23 )
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24
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25 write.table(recal, file = '$recal_series', row.names= FALSE, sep = "\t")
6e1813883a9a planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 87bb82e07c57753a71d9ce4efc757c4367200d15
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26 ]]></configfile>
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27 </configfiles>
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28 <inputs>
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29 <param name="input_file" type="data" format="tabular" label="Input data"
6e1813883a9a planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 87bb82e07c57753a71d9ce4efc757c4367200d15
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30 help= "Input data frame - output from MFAssign or MFAssignCHO. Recommended are 'Unambiguous' assignments."/>
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31 </inputs>
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32 <outputs>
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33 <data name="recal_series" format="tabular" label="Recalibration series by ${tool.name} on ${on_string}"/>
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34 </outputs>
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35 <tests>
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36 <test>
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37 <param name="input_file" value="mfassigncho/unambig.tabular" />
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38 <output name="recal_series" file="recallist/recal_series.tabular" lines_diff="100"/>
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39 </test>
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40 </tests>
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41 <help><![CDATA[
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42 @RECALLIST_HELP@
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43
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44 @GENERAL_HELP@
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45 ]]></help>
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46 <expand macro="citations" />
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47 </tool>