Mercurial > repos > bgruening > openms
diff FeatureLinkerLabeled.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 |
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--- a/FeatureLinkerLabeled.xml Mon Oct 13 10:18:22 2014 -0400 +++ b/FeatureLinkerLabeled.xml Wed Jan 27 10:06:49 2016 -0500 @@ -1,49 +1,86 @@ -<?xml version='1.0' encoding='UTF-8'?> -<tool id="FeatureLinkerLabeled" name="FeatureLinkerLabeled" version="1.12.0"> - <description>Groups corresponding isotope-labeled features in a feature map.</description> - <macros> - <token name="@EXECUTABLE@">FeatureLinkerLabeled</token> - <import>macros.xml</import> - </macros> - <expand macro="stdio"/> - <expand macro="requirements"/> - <command>FeatureLinkerLabeled +<?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: [Map Alignment]--> + <tool id="FeatureLinkerLabeled" name="FeatureLinkerLabeled" version="2.0.0"> + <description>Groups corresponding isotope-labeled features in a feature map.</description> + <macros> + <token name="@EXECUTABLE@">FeatureLinkerLabeled</token> + <import>macros.xml</import> + </macros> + <expand macro="references"/> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>FeatureLinkerLabeled --in ${param_in} --out ${param_out} --threads \${GALAXY_SLOTS:-24} -${param_rt_estimate} --algorithm:rt_pair_dist ${param_rt_pair_dist} --algorithm:rt_dev_low ${param_rt_dev_low} --algorithm:rt_dev_high ${param_rt_dev_high} --algorithm:mz_pair_dists ${param_mz_pair_dists} --algorithm:mz_dev ${param_mz_dev} +#if $param_in: + -in $param_in +#end if +#if $param_out: + -out $param_out +#end if +-threads \${GALAXY_SLOTS:-24} +#if $param_algorithm_rt_estimate: + -algorithm:rt_estimate +#end if +#if $param_algorithm_rt_pair_dist: + -algorithm:rt_pair_dist $param_algorithm_rt_pair_dist +#end if +#if $param_algorithm_rt_dev_low: + -algorithm:rt_dev_low $param_algorithm_rt_dev_low +#end if +#if $param_algorithm_rt_dev_high: + -algorithm:rt_dev_high $param_algorithm_rt_dev_high +#end if + +#if $rep_param_algorithm_mz_pair_dists: +-algorithm:mz_pair_dists + #for token in $rep_param_algorithm_mz_pair_dists: + #if " " in str(token): + "$token.param_algorithm_mz_pair_dists" + #else + $token.param_algorithm_mz_pair_dists + #end if + #end for +#end if +#if $param_algorithm_mz_dev: + -algorithm:mz_dev $param_algorithm_mz_dev +#end if #if $adv_opts.adv_opts_selector=='advanced': - ${adv_opts.param_mrm} + #if $adv_opts.param_force: + -force +#end if + #if $adv_opts.param_algorithm_mrm: + -algorithm:mrm +#end if #end if </command> - <inputs> - <param name="param_in" type="data" format="featureXML" optional="False" label="Input file" help="(-in)"/> - <param name="param_rt_estimate" type="boolean" truevalue="-algorithm:rt_estimate true" falsevalue="-algorithm:rt_estimate false" checked="true" optional="True" label="If 'true' the optimal RT pair distance and deviation are estimated by fitting a gaussian distribution to the histogram of pair distance. Note that this works only datasets with a significant amount of pairs! If 'false' the parameters 'rt_pair_dist', 'rt_dev_low' and 'rt_dev_high' define the optimal distance." help="(-rt_estimate)"/> - <param name="param_rt_pair_dist" type="float" value="-20.0" label="optimal pair distance in RT [sec] from light to heavy feature" help="(-rt_pair_dist)"/> - <param name="param_rt_dev_low" type="float" min="0.0" optional="True" value="15.0" label="maximum allowed deviation below optimal retention time distance" help="(-rt_dev_low)"/> - <param name="param_rt_dev_high" type="float" min="0.0" optional="True" value="15.0" label="maximum allowed deviation above optimal retention time distance" help="(-rt_dev_high)"/> - <param name="param_mz_pair_dists" type="text" size="20" value="4.0" label="optimal pair distances in m/z [Th] for features with charge +1 (adapted to +2, +3, .. by division through charge)" help="(-mz_pair_dists)"/> - <param name="param_mz_dev" type="float" min="0.0" optional="True" value="0.05" label="maximum allowed deviation from optimal m/z distance#br#" help="(-mz_dev)"/> - <expand macro="advanced_options"> - <param name="param_mrm" type="boolean" truevalue="-algorithm:mrm true" falsevalue="-algorithm:mrm false" checked="false" optional="True" label="this option should be used if the features correspond mrm chromatograms (additionally the precursor is taken into account)" help="(-mrm)"/> - </expand> - </inputs> - <outputs> - <data name="param_out" label="Output file" format="consensusXML"/> - </outputs> - <help>**What it does** - -Groups corresponding isotope-labeled features in a feature map. + <inputs> + <param format="xml" help="(-in) " label="Input file" name="param_in" optional="False" type="data"/> + <param checked="true" falsevalue="" help="(-rt_estimate) Note that this works only datasets with a significant amount of pairs! If 'false' the parameters 'rt_pair_dist', 'rt_dev_low' and 'rt_dev_high' define the optimal distance" label="If 'true' the optimal RT pair distance and deviation are estimated by fitting a gaussian distribution to the histogram of pair distance" name="param_algorithm_rt_estimate" optional="True" truevalue="-algorithm:rt_estimate" type="boolean"/> + <param help="(-rt_pair_dist) " label="optimal pair distance in RT [sec] from light to heavy feature" name="param_algorithm_rt_pair_dist" type="float" value="-20.0"/> + <param help="(-rt_dev_low) " label="maximum allowed deviation below optimal retention time distance" min="0.0" name="param_algorithm_rt_dev_low" optional="True" type="float" value="15.0"/> + <param help="(-rt_dev_high) " label="maximum allowed deviation above optimal retention time distance" min="0.0" name="param_algorithm_rt_dev_high" optional="True" type="float" value="15.0"/> + <repeat max="1" min="0" name="rep_param_algorithm_mz_pair_dists" title="param_algorithm_mz_pair_dists"> + <param help="(-mz_pair_dists) by division through charge)" label="optimal pair distances in m/z [Th] for features with charge +1 (adapted to +2, +3, ." name="param_algorithm_mz_pair_dists" size="30" type="text" value="4.0"> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + </repeat> + <param help="(-mz_dev) " label="maximum allowed deviation from optimal m/z distance" min="0.0" name="param_algorithm_mz_dev" optional="True" type="float" value="0.05"/> + <expand macro="advanced_options"> + <param checked="false" falsevalue="" help="(-force) " label="Overwrite tool specific checks" name="param_force" optional="True" truevalue="-force" type="boolean"/> + <param checked="false" falsevalue="" help="(-mrm) " label="this option should be used if the features correspond mrm chromatograms (additionally the precursor is taken into account)" name="param_algorithm_mrm" optional="True" truevalue="-algorithm:mrm" type="boolean"/> + </expand> + </inputs> + <outputs> + <data format="consensusxml" name="param_out"/> + </outputs> + <help>Groups corresponding isotope-labeled features in a feature map. -For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_FeatureLinkerLabeled.html - -@REFERENCES@ -</help> -</tool> +For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_FeatureLinkerLabeled.html</help> + </tool>
