Mercurial > repos > bgruening > openms
diff InternalCalibration.xml @ 4:6ead64a594bd draft default tip
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
| author | bgruening |
|---|---|
| date | Wed, 27 Jan 2016 10:06:49 -0500 |
| parents | 3d84209d3178 |
| children |
line wrap: on
line diff
--- a/InternalCalibration.xml Mon Oct 13 10:18:22 2014 -0400 +++ b/InternalCalibration.xml Wed Jan 27 10:06:49 2016 -0500 @@ -1,53 +1,81 @@ -<?xml version='1.0' encoding='UTF-8'?> -<tool id="InternalCalibration" name="InternalCalibration" version="1.12.0"> - <description>Applies an internal calibration.</description> - <macros> - <token name="@EXECUTABLE@">InternalCalibration</token> - <import>macros.xml</import> - </macros> - <expand macro="stdio"/> - <expand macro="requirements"/> - <command>InternalCalibration +<?xml version="1.0" encoding="UTF-8"?> + <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTD2Galaxy.--> + <!--Proposed Tool Section: [Signal processing and preprocessing]--> + <tool id="InternalCalibration" name="InternalCalibration" version="2.0.0"> + <description>Applies an internal calibration.</description> + <macros> + <token name="@EXECUTABLE@">InternalCalibration</token> + <import>macros.xml</import> + </macros> + <expand macro="references"/> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>InternalCalibration --in ${param_in} --out ${param_out} --ref_peaks ${param_ref_peaks} --type ${param_type} --trafo ${param_trafo} --threads \${GALAXY_SLOTS:-24} --algorithm:mz_tolerance ${param_mz_tolerance} --algorithm:mz_tolerance_unit ${param_mz_tolerance_unit} --algorithm:rt_tolerance ${param_rt_tolerance} +#if $param_in: + -in $param_in +#end if +#if $param_out: + -out $param_out +#end if +#if $param_ref_peaks: + -ref_peaks $param_ref_peaks +#end if +#if $param_type: + -type + #if " " in str($param_type): + "$param_type" + #else + $param_type + #end if +#end if +#if $param_trafo: + -trafo $param_trafo +#end if +-threads \${GALAXY_SLOTS:-24} +#if $param_algorithm_mz_tolerance: + -algorithm:mz_tolerance $param_algorithm_mz_tolerance +#end if +#if $param_algorithm_mz_tolerance_unit: + -algorithm:mz_tolerance_unit + #if " " in str($param_algorithm_mz_tolerance_unit): + "$param_algorithm_mz_tolerance_unit" + #else + $param_algorithm_mz_tolerance_unit + #end if +#end if +#if $param_algorithm_rt_tolerance: + -algorithm:rt_tolerance $param_algorithm_rt_tolerance +#end if +#if $adv_opts.adv_opts_selector=='advanced': + #if $adv_opts.param_force: + -force +#end if +#end if </command> - <inputs> - <param name="param_in" type="data" format="mzML,featureXML" optional="False" label="input peak file " help="(-in)"/> - <param name="param_ref_peaks" type="data" format="tabular,idXML" optional="True" label="input file containing reference m/z values (either as textfile with one m/z per line and no header or as idXML file)" help="(-ref_peaks)"/> - <param name="param_type" type="select" optional="True" value="spectrumwise" label="The kind of internal calibration that should be applied." help="(-type)"> - <option value="spectrumwise">spectrumwise</option> - <option value="global">global</option> - </param> - <param name="param_mz_tolerance" type="float" min="0.0" optional="True" value="1.0" label="Allowed tolerance between peak and reference m/z." help="(-mz_tolerance)"/> - <param name="param_mz_tolerance_unit" type="select" optional="True" value="Da" label="Unit for mz_tolerance." help="(-mz_tolerance_unit)"> - <option value="Da">Da</option> - <option value="ppm">ppm</option> - </param> - <param name="param_rt_tolerance" type="integer" value="10" label="Allowed tolerance between peak and reference rt." help="(-rt_tolerance)"/> - </inputs> - <outputs> - <data name="param_out" label="output file " format="featureXML"> - <change_format> - <when input="param_out_type" value="mzML" format="mzML"/> - </change_format> - </data> - <data name="param_trafo" label="output transformation file (only for global calibration)" format="data"/> - </outputs> - <help>**What it does** - -Applies an internal calibration. + <inputs> + <param format="xml,mzml" help="(-in) " label="input peak file" name="param_in" optional="False" type="data"/> + <param format="tabular,xml" help="(-ref_peaks) " label="input file containing reference m/z values (either as textfile with one m/z per line and no header or as idXML file)" name="param_ref_peaks" optional="True" type="data"/> + <param help="(-type) " label="The kind of internal calibration that should be applied" name="param_type" optional="True" type="select" value="spectrumwise"> + <option value="spectrumwise">spectrumwise</option> + <option value="global">global</option> + </param> + <param help="(-mz_tolerance) " label="Allowed tolerance between peak and reference m/z" min="0.0" name="param_algorithm_mz_tolerance" optional="True" type="float" value="1.0"/> + <param help="(-mz_tolerance_unit) " label="Unit for mz_tolerance" name="param_algorithm_mz_tolerance_unit" optional="True" type="select" value="Da"> + <option value="Da">Da</option> + <option value="ppm">ppm</option> + </param> + <param help="(-rt_tolerance) " label="Allowed tolerance between peak and reference rt" name="param_algorithm_rt_tolerance" type="integer" value="10"/> + <expand macro="advanced_options"> + <param checked="false" falsevalue="" help="(-force) " label="Overwrite tool specific checks" name="param_force" optional="True" truevalue="-force" type="boolean"/> + </expand> + </inputs> + <outputs> + <data format="input" metadata_source="param_in" name="param_out"/> + <data format="trafoxml" name="param_trafo"/> + </outputs> + <help>Applies an internal calibration. -For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_InternalCalibration.html - -@REFERENCES@ -</help> -</tool> +For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_InternalCalibration.html</help> + </tool>
