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remove some hardcoding for prefix output param
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bernt-matthias committed Jun 3, 2024
1 parent f34809b commit d5d2208
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Showing 2 changed files with 14 additions and 15 deletions.
19 changes: 14 additions & 5 deletions tools/openms/OpenSwathFileSplitter.xml
Original file line number Diff line number Diff line change
Expand Up @@ -15,7 +15,9 @@
## Preprocessing
mkdir in &&
cp '$in' 'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)' &&
mkdir outputDirectory &&
#if "outputDirectory_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
mkdir adv_opts.outputDirectory &&
#end if
#if "out_qc_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
mkdir out_qc &&
#end if
Expand All @@ -28,8 +30,10 @@ python3 '$__tool_directory__/fill_ctd.py' '@[email protected]' '$args_json' '$hard
@EXECUTABLE@ -ini @[email protected]
-in
'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)'
-outputDirectory
outputDirectory/
#if "outputDirectory_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
-outputDirectory
adv_opts.outputDirectory/
#end if
#if "out_qc_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
-out_qc
'out_qc/output.${gxy2omsext("json")}'
Expand Down Expand Up @@ -58,17 +62,22 @@ outputDirectory/
</param>
</expand>
<param name="OPTIONAL_OUTPUTS" type="select" optional="true" multiple="true" label="Optional outputs">
<option value="outputDirectory_FLAG">outputDirectory (Output file prefix)</option>
<option value="out_qc_FLAG">out_qc (Optional QC meta data (charge distribution in MS1))</option>
<option value="ctd_out_FLAG">Output used ctd (ini) configuration file</option>
</param>
</inputs>
<outputs>
<collection type="list" name="outputDirectory" label="${tool.name} on ${on_string}: outputDirectory">
<discover_datasets directory="outputDirectory" recurse="true" format="mzml" pattern="_?(?P&lt;designation&gt;.*)\.[^.]*"/>
<collection type="list" name="adv_opts_outputDirectory" label="${tool.name} on ${on_string}: outputDirectory">
<discover_datasets directory="adv_opts_outputDirectory" recurse="true" format="txt" pattern="_?(?P&lt;designation&gt;.*)\.[^.]*"/>
<filter>OPTIONAL_OUTPUTS is not None and "outputDirectory_FLAG" in OPTIONAL_OUTPUTS</filter>
</collection>
<data name="out_qc" label="${tool.name} on ${on_string}: out_qc" format="json">
<filter>OPTIONAL_OUTPUTS is not None and "out_qc_FLAG" in OPTIONAL_OUTPUTS</filter>
</data>
<data name="stdout" format="txt" label="${tool.name} on ${on_string}: stdout">
<filter>OPTIONAL_OUTPUTS is None</filter>
</data>
<data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd">
<filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter>
</data>
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10 changes: 0 additions & 10 deletions tools/openms/aux/hardcoded_params.json
Original file line number Diff line number Diff line change
Expand Up @@ -207,16 +207,6 @@
"tools": ["IDMapper"]
}],

"#": "hardcoding prefix parameters which are not yet available in OMS but in CTDOpts https://github.com/OpenMS/OpenMS/pull/5912",
"#": "output-prefix",
"outputDirectory": [{
"CTD:type": "output-prefix",
"CTD:advanced": false,
"CTD:required": true,
"CTD:restrictions": "mzml",
"tools": ["OpenSwathFileSplitter"]
}],

"#": "SpectraSTSearchAdapter does not need xml .. redundant with pep.xml TODO check if list is up to date with each new release",
"output_files": [{
"CTD:restrictions": "txt,tsv,pep.xml,pepXML,html",
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