Mercurial > repos > bgruening > openms
diff RTPredict.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/RTPredict.xml Mon Oct 13 10:18:22 2014 -0400 +++ b/RTPredict.xml Wed Jan 27 10:06:49 2016 -0500 @@ -1,51 +1,73 @@ -<?xml version='1.0' encoding='UTF-8'?> -<tool id="RTPredict" name="RTPredict" version="1.12.0"> - <description>Predicts retention times for peptides using a model trained by RTModel.</description> - <macros> - <token name="@EXECUTABLE@">RTPredict</token> - <import>macros.xml</import> - </macros> - <expand macro="stdio"/> - <expand macro="requirements"/> - <command>RTPredict +<?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: [Peptide property prediction]--> + <tool id="RTPredict" name="RTPredict" version="2.0.0"> + <description>Predicts retention times for peptides using a model trained by RTModel.</description> + <macros> + <token name="@EXECUTABLE@">RTPredict</token> + <import>macros.xml</import> + </macros> + <expand macro="references"/> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>RTPredict --in_id ${param_in_id} --in_text ${param_in_text} --svm_model ${param_svm_model} --total_gradient_time ${param_total_gradient_time} --threads \${GALAXY_SLOTS:-24} --out_id:file ${param_file} --out_id:positive ${param_positive} --out_id:negative ${param_negative} --out_text:file ${param_file} +#if $param_in_id: + -in_id $param_in_id +#end if +#if $param_in_text: + -in_text $param_in_text +#end if +#if $param_svm_model: + -svm_model $param_svm_model +#end if +#if $param_total_gradient_time: + -total_gradient_time $param_total_gradient_time +#end if +-threads \${GALAXY_SLOTS:-24} +#if $param_out_id_file: + -out_id:file $param_out_id_file +#end if +#if $param_out_id_positive: + -out_id:positive $param_out_id_positive +#end if +#if $param_out_id_negative: + -out_id:negative $param_out_id_negative +#end if +#if $param_out_text_file: + -out_text:file $param_out_text_file +#end if #if $adv_opts.adv_opts_selector=='advanced': - -max_number_of_peptides ${adv_opts.param_max_number_of_peptides} - ${adv_opts.param_rewrite_peptideidentification_rtmz} + #if $adv_opts.param_max_number_of_peptides: + -max_number_of_peptides $adv_opts.param_max_number_of_peptides +#end if + #if $adv_opts.param_force: + -force +#end if + #if $adv_opts.param_out_id_rewrite_peptideidentification_rtmz: + -out_id:rewrite_peptideidentification_rtmz +#end if #end if </command> - <inputs> - <param name="param_in_id" type="data" format="idXML" optional="True" label="Peptides with precursor information" help="(-in_id)"/> - <param name="param_in_text" type="data" format="txt" optional="True" label="Peptides as text-based file" help="(-in_text)"/> - <param name="param_svm_model" type="data" format="txt" optional="False" label="svm model in libsvm format (can be produced by RTModel)" help="(-svm_model)"/> - <param name="param_total_gradient_time" type="float" min="1e-05" optional="True" value="1.0" label="The time (in seconds) of the gradient (peptide RT prediction)" help="(-total_gradient_time)"/> - <expand macro="advanced_options"> - <param name="param_max_number_of_peptides" type="integer" value="100000" label="The maximum number of peptides considered at once (bigger number will lead to faster results but needs more memory)." help="(-max_number_of_peptides)"/> - <param name="param_rewrite_peptideidentification_rtmz" type="boolean" truevalue="-out_id:rewrite_peptideidentification_rtmz true" falsevalue="-out_id:rewrite_peptideidentification_rtmz false" checked="false" optional="True" label="Rewrites each peptideidentification's rt and mz from prediction and calculation (according to the best hit)" help="(-rewrite_peptideidentification_rtmz)"/> - </expand> - </inputs> - <outputs> - <data name="param_file" label="Output file with peptide RT prediction" format="idXML"/> - <data name="param_positive" label="Output file in idXML format containing positive predictions for peptide separation prediction - requires 'out_id:negative' to be present as well." format="idXML"/> - <data name="param_negative" label="Output file in idXML format containing negative predictions for peptide separation prediction - requires 'out_id:positive' to be present as well." format="idXML"/> - <data name="param_file" label="Output file with predicted RT values" format="tabular"/> - </outputs> - <help>**What it does** - -Predicts retention times for peptides using a model trained by RTModel. + <inputs> + <param format="xml" help="(-in_id) " label="Peptides with precursor information" name="param_in_id" optional="True" type="data"/> + <param format="txt" help="(-in_text) " label="Peptides as text-based file" name="param_in_text" optional="True" type="data"/> + <param format="txt" help="(-svm_model) " label="svm model in libsvm format (can be produced by RTModel)" name="param_svm_model" optional="False" type="data"/> + <param help="(-total_gradient_time) " label="The time (in seconds) of the gradient (peptide RT prediction)" min="1e-05" name="param_total_gradient_time" optional="True" type="float" value="1.0"/> + <expand macro="advanced_options"> + <param help="(-max_number_of_peptides) " label="The maximum number of peptides considered at once (bigger number will lead to faster results but needs more memory)" name="param_max_number_of_peptides" type="integer" value="100000"/> + <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="(-rewrite_peptideidentification_rtmz) " label="Rewrites each peptideidentification's rt and mz from prediction and calculation (according to the best hit)" name="param_out_id_rewrite_peptideidentification_rtmz" optional="True" truevalue="-out_id:rewrite_peptideidentification_rtmz" type="boolean"/> + </expand> + </inputs> + <outputs> + <data format="xml" name="param_out_id_file"/> + <data format="xml" name="param_out_id_positive"/> + <data format="xml" name="param_out_id_negative"/> + <data format="tabular" name="param_out_text_file"/> + </outputs> + <help>Predicts retention times for peptides using a model trained by RTModel. -For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_RTPredict.html - -@REFERENCES@ -</help> -</tool> +For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_RTPredict.html</help> + </tool>
