Mercurial > repos > galaxyp > openms_mapalignerposeclustering
diff MapAlignerPoseClustering.xml @ 2:304c13ce9577 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
author | galaxyp |
---|---|
date | Mon, 12 Feb 2018 12:57:02 -0500 |
parents | 40ca4302e603 |
children | e86e83ac0cd3 |
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--- a/MapAlignerPoseClustering.xml Mon Feb 12 10:28:56 2018 -0500 +++ b/MapAlignerPoseClustering.xml Mon Feb 12 12:57:02 2018 -0500 @@ -1,9 +1,13 @@ -<tool id="MapAlignerPoseClustering" name="MapAlignerPoseClustering" version="2.2.0"> +<?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 CTDConverter.--> +<!--Proposed Tool Section: [Map Alignment]--> +<tool id="MapAlignerPoseClustering" name="MapAlignerPoseClustering" version="2.3.0"> <description>Corrects retention time distortions between maps using a pose clustering approach.</description> <macros> <token name="@EXECUTABLE@">MapAlignerPoseClustering</token> <import>macros.xml</import> </macros> + <expand macro="references"/> <expand macro="stdio"/> <expand macro="requirements"/> <command><![CDATA[ @@ -26,8 +30,6 @@ ./results_trafoxml/${infile.element_identifier}.trafoxml #end for --threads "\${GALAXY_SLOTS:-1}" - #if $param_reference_file: -reference:file $param_reference_file #end if @@ -73,7 +75,9 @@ #end if #end if #if $adv_opts.adv_opts_selector=='advanced': - + #if $adv_opts.param_force: + -force +#end if #if $adv_opts.param_algorithm_superimposer_rt_pair_distance_fraction: -algorithm:superimposer:rt_pair_distance_fraction $adv_opts.param_algorithm_superimposer_rt_pair_distance_fraction #end if @@ -83,8 +87,13 @@ #if $adv_opts.param_algorithm_superimposer_max_scaling: -algorithm:superimposer:max_scaling $adv_opts.param_algorithm_superimposer_max_scaling #end if - -#if $adv_opts.param_algorithm_pairfinder_distance_RT_exponent: + #if $adv_opts.param_algorithm_superimposer_dump_buckets: + -algorithm:superimposer:dump_buckets "$adv_opts.param_algorithm_superimposer_dump_buckets" +#end if + #if $adv_opts.param_algorithm_superimposer_dump_pairs: + -algorithm:superimposer:dump_pairs "$adv_opts.param_algorithm_superimposer_dump_pairs" +#end if + #if $adv_opts.param_algorithm_pairfinder_distance_RT_exponent: -algorithm:pairfinder:distance_RT:exponent $adv_opts.param_algorithm_pairfinder_distance_RT_exponent #end if #if $adv_opts.param_algorithm_pairfinder_distance_RT_weight: @@ -111,7 +120,6 @@ #end if #end if #end if - ]]> </command> <inputs> @@ -133,9 +141,26 @@ <option value="ppm">ppm</option> </param> <expand macro="advanced_options"> + <param name="param_force" display="radio" type="boolean" truevalue="-force" falsevalue="" checked="false" optional="True" label="Overwrite tool specific checks" help="(-force) "/> <param name="param_algorithm_superimposer_rt_pair_distance_fraction" type="float" min="0.0" max="1.0" optional="True" value="0.1" label="Within each of the two maps, the pairs considered for pose clustering must be separated by at least this fraction of the total elution time interval (i.e., max - min)" help="(-rt_pair_distance_fraction) "/> <param name="param_algorithm_superimposer_max_shift" type="float" min="0.0" optional="True" value="1000.0" label="Maximal shift which is considered during histogramming (in seconds)" help="(-max_shift) This applies for both directions"/> <param name="param_algorithm_superimposer_max_scaling" type="float" min="1.0" optional="True" value="2.0" label="Maximal scaling which is considered during histogramming" help="(-max_scaling) The minimal scaling is the reciprocal of this"/> + <param name="param_algorithm_superimposer_dump_buckets" type="text" size="30" label="[DEBUG] If non-empty, base filename where hash table buckets will be dumped to" help="(-dump_buckets) A serial number for each invocation will be appended automatically"> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_algorithm_superimposer_dump_pairs" type="text" size="30" label="[DEBUG] If non-empty, base filename where the individual hashed pairs will be dumped to (large!)" help="(-dump_pairs) A serial number for each invocation will be appended automatically"> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> <param name="param_algorithm_pairfinder_distance_RT_exponent" type="float" min="0.0" optional="True" value="1.0" label="Normalized RT differences ([0-1], relative to 'max_difference') are raised to this power (using 1 or 2 will be fast, everything else is REALLY slow)" help="(-exponent) "/> <param name="param_algorithm_pairfinder_distance_RT_weight" type="float" min="0.0" optional="True" value="1.0" label="Final RT distances are weighted by this facto" help="(-weight) "/> <param name="param_algorithm_pairfinder_distance_MZ_exponent" type="float" min="0.0" optional="True" value="2.0" label="Normalized ([0-1], relative to 'max_difference') m/z differences are raised to this power (using 1 or 2 will be fast, everything else is REALLY slow)" help="(-exponent) "/> @@ -159,6 +184,5 @@ </outputs> <help>Corrects retention time distortions between maps using a pose clustering approach. - For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_MapAlignerPoseClustering.html</help> </tool>