Mercurial > repos > bgruening > openms
diff FeatureLinkerUnlabeled.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/FeatureLinkerUnlabeled.xml Mon Oct 13 10:18:22 2014 -0400 +++ b/FeatureLinkerUnlabeled.xml Wed Jan 27 10:06:49 2016 -0500 @@ -1,64 +1,109 @@ -<?xml version='1.0' encoding='UTF-8'?> -<tool id="FeatureLinkerUnlabeled" name="FeatureLinkerUnlabeled" version="1.12.0"> - <description>Groups corresponding features from multiple maps.</description> - <macros> - <token name="@EXECUTABLE@">FeatureLinkerUnlabeled</token> - <import>macros.xml</import> - </macros> - <expand macro="stdio"/> - <expand macro="requirements"/> - <command>FeatureLinkerUnlabeled +<?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="FeatureLinkerUnlabeled" name="FeatureLinkerUnlabeled" version="2.0.0"> + <description>Groups corresponding features from multiple maps.</description> + <macros> + <token name="@EXECUTABLE@">FeatureLinkerUnlabeled</token> + <import>macros.xml</import> + </macros> + <expand macro="references"/> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>FeatureLinkerUnlabeled --in ${param_in} --out ${param_out} -${param_keep_subelements} --threads \${GALAXY_SLOTS:-24} --algorithm:second_nearest_gap ${param_second_nearest_gap} -${param_use_identifications} -${param_ignore_charge} --algorithm:distance_RT:max_difference ${param_max_difference} --algorithm:distance_MZ:max_difference ${param_max_difference} --algorithm:distance_MZ:unit ${param_unit} +-in + #for token in $param_in: + $token + #end for +#if $param_out: + -out $param_out +#end if +#if $param_keep_subelements: + -keep_subelements +#end if +-threads \${GALAXY_SLOTS:-24} +#if $param_algorithm_second_nearest_gap: + -algorithm:second_nearest_gap $param_algorithm_second_nearest_gap +#end if +#if $param_algorithm_use_identifications: + -algorithm:use_identifications +#end if +#if $param_algorithm_ignore_charge: + -algorithm:ignore_charge +#end if +#if $param_algorithm_distance_RT_max_difference: + -algorithm:distance_RT:max_difference $param_algorithm_distance_RT_max_difference +#end if +#if $param_algorithm_distance_MZ_max_difference: + -algorithm:distance_MZ:max_difference $param_algorithm_distance_MZ_max_difference +#end if +#if $param_algorithm_distance_MZ_unit: + -algorithm:distance_MZ:unit + #if " " in str($param_algorithm_distance_MZ_unit): + "$param_algorithm_distance_MZ_unit" + #else + $param_algorithm_distance_MZ_unit + #end if +#end if #if $adv_opts.adv_opts_selector=='advanced': - -algorithm:distance_RT:exponent ${adv_opts.param_exponent} - -algorithm:distance_RT:weight ${adv_opts.param_weight} - -algorithm:distance_MZ:exponent ${adv_opts.param_exponent} - -algorithm:distance_MZ:weight ${adv_opts.param_weight} - -algorithm:distance_intensity:exponent ${adv_opts.param_exponent} - -algorithm:distance_intensity:weight ${adv_opts.param_weight} + #if $adv_opts.param_force: + -force +#end if + #if $adv_opts.param_algorithm_distance_RT_exponent: + -algorithm:distance_RT:exponent $adv_opts.param_algorithm_distance_RT_exponent +#end if + #if $adv_opts.param_algorithm_distance_RT_weight: + -algorithm:distance_RT:weight $adv_opts.param_algorithm_distance_RT_weight +#end if + #if $adv_opts.param_algorithm_distance_MZ_exponent: + -algorithm:distance_MZ:exponent $adv_opts.param_algorithm_distance_MZ_exponent +#end if + #if $adv_opts.param_algorithm_distance_MZ_weight: + -algorithm:distance_MZ:weight $adv_opts.param_algorithm_distance_MZ_weight +#end if + #if $adv_opts.param_algorithm_distance_intensity_exponent: + -algorithm:distance_intensity:exponent $adv_opts.param_algorithm_distance_intensity_exponent +#end if + #if $adv_opts.param_algorithm_distance_intensity_weight: + -algorithm:distance_intensity:weight $adv_opts.param_algorithm_distance_intensity_weight +#end if #end if </command> - <inputs> - <param name="param_in" type="data" format="featureXML,consensusXML" optional="False" size="20" label="input files separated by blanks" help="(-in)"/> - <param name="param_keep_subelements" type="boolean" truevalue="-keep_subelements true" falsevalue="-keep_subelements false" checked="false" optional="True" label="For consensusXML input only: If set, the sub-features of the inputs are transferred to the output." help="(-keep_subelements)"/> - <param name="param_second_nearest_gap" type="float" min="1.0" optional="True" value="2.0" label="The distance to the second nearest neighbors must be larger by this factor than the distance to the matching element itself." help="(-second_nearest_gap)"/> - <param name="param_use_identifications" type="boolean" truevalue="-algorithm:use_identifications true" falsevalue="-algorithm:use_identifications false" checked="false" optional="True" label="Never link features that are annotated with different peptides (only the best hit per peptide identification is taken into account)." help="(-use_identifications)"/> - <param name="param_ignore_charge" type="boolean" truevalue="-algorithm:ignore_charge true" falsevalue="-algorithm:ignore_charge false" checked="false" optional="True" label="Compare features normally even if their charge states are different" help="(-ignore_charge)"/> - <param name="param_max_difference" type="float" min="0.0" optional="True" value="100.0" label="Maximum allowed difference in RT in seconds" help="(-max_difference)"/> - <param name="param_max_difference" type="float" min="0.0" optional="True" value="0.3" label="Maximum allowed difference in m/z (unit defined by 'unit')" help="(-max_difference)"/> - <param name="param_unit" type="select" optional="True" value="Da" label="Unit of the 'max_difference' parameter" help="(-unit)"> - <option value="Da">Da</option> - <option value="ppm">ppm</option> - </param> - <expand macro="advanced_options"> - <param name="param_exponent" type="float" min="0.0" optional="True" value="1.0" label="Normalized RT differences are raised to this power (using 1 or 2 will be fast, everything else is REALLY slow)" help="(-exponent)"/> - <param name="param_weight" type="float" min="0.0" optional="True" value="1.0" label="RT distances are weighted by this factor" help="(-weight)"/> - <param name="param_exponent" type="float" min="0.0" optional="True" value="2.0" label="Normalized m/z differences are raised to this power (using 1 or 2 will be fast, everything else is REALLY slow)" help="(-exponent)"/> - <param name="param_weight" type="float" min="0.0" optional="True" value="1.0" label="m/z distances are weighted by this factor" help="(-weight)"/> - <param name="param_exponent" type="float" min="0.0" optional="True" value="1.0" label="Differences in relative intensity are raised to this power (using 1 or 2 will be fast, everything else is REALLY slow)" help="(-exponent)"/> - <param name="param_weight" type="float" min="0.0" optional="True" value="0.0" label="Distances based on relative intensity are weighted by this factor" help="(-weight)"/> - </expand> - </inputs> - <outputs> - <data name="param_out" label="Output file" format="consensusXML"/> - </outputs> - <help>**What it does** - -Groups corresponding features from multiple maps. + <inputs> + <param format="xml,consensusxml" help="(-in) " label="input files separated by blanks" multiple="true" name="param_in" optional="False" size="30" type="data"> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param checked="false" falsevalue="" help="(-keep_subelements) " label="For consensusXML input only: If set, the sub-features of the inputs are transferred to the output" name="param_keep_subelements" optional="True" truevalue="-keep_subelements" type="boolean"/> + <param help="(-second_nearest_gap) " label="Only link features whose distance to the second nearest neighbors (for both sides) is larger by 'second_nearest_gap' than the distance between the matched pair itself" min="1.0" name="param_algorithm_second_nearest_gap" optional="True" type="float" value="2.0"/> + <param checked="false" falsevalue="" help="(-use_identifications) " label="Never link features that are annotated with different peptides (features without ID's always match; only the best hit per peptide identification is considered)" name="param_algorithm_use_identifications" optional="True" truevalue="-algorithm:use_identifications" type="boolean"/> + <param checked="false" falsevalue="" help="(-ignore_charge) " label="false [default]: pairing requires equal charge state (or at least one unknown charge '0'); true: Pairing irrespective of charge state" name="param_algorithm_ignore_charge" optional="True" truevalue="-algorithm:ignore_charge" type="boolean"/> + <param help="(-max_difference) " label="Never pair features with a larger RT distance (in seconds)" min="0.0" name="param_algorithm_distance_RT_max_difference" optional="True" type="float" value="100.0"/> + <param help="(-max_difference) " label="Never pair features with larger m/z distance (unit defined by 'unit')" min="0.0" name="param_algorithm_distance_MZ_max_difference" optional="True" type="float" value="0.3"/> + <param help="(-unit) " label="Unit of the 'max_difference' paramete" name="param_algorithm_distance_MZ_unit" optional="True" type="select" value="Da"> + <option value="Da">Da</option> + <option value="ppm">ppm</option> + </param> + <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 help="(-exponent) " 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)" min="0.0" name="param_algorithm_distance_RT_exponent" optional="True" type="float" value="1.0"/> + <param help="(-weight) " label="Final RT distances are weighted by this facto" min="0.0" name="param_algorithm_distance_RT_weight" optional="True" type="float" value="1.0"/> + <param help="(-exponent) " 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)" min="0.0" name="param_algorithm_distance_MZ_exponent" optional="True" type="float" value="2.0"/> + <param help="(-weight) " label="Final m/z distances are weighted by this facto" min="0.0" name="param_algorithm_distance_MZ_weight" optional="True" type="float" value="1.0"/> + <param help="(-exponent) " label="Differences in relative intensity ([0-1]) are raised to this power (using 1 or 2 will be fast, everything else is REALLY slow)" min="0.0" name="param_algorithm_distance_intensity_exponent" optional="True" type="float" value="1.0"/> + <param help="(-weight) " label="Final intensity distances are weighted by this facto" min="0.0" name="param_algorithm_distance_intensity_weight" optional="True" type="float" value="0.0"/> + </expand> + </inputs> + <outputs> + <data format="consensusxml" name="param_out"/> + </outputs> + <help>Groups corresponding features from multiple maps. -For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_FeatureLinkerUnlabeled.html - -@REFERENCES@ -</help> -</tool> +For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_FeatureLinkerUnlabeled.html</help> + </tool>
