Mercurial > repos > luis > ball
diff galaxy_stubs/InputPartitioner.xml @ 2:605370bc1def draft default tip
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author | luis |
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date | Tue, 12 Jul 2016 12:33:33 -0400 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/galaxy_stubs/InputPartitioner.xml Tue Jul 12 12:33:33 2016 -0400 @@ -0,0 +1,38 @@ +<?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: [QuEasy (QSAR)]--> +<tool id="InputPartitioner" name="InputPartitioner" version="1.1.0"> + <description>split QSAR data set </description> + <macros> + <token name="@EXECUTABLE@">InputPartitioner</token> + <import>macros.xml</import> + </macros> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>InputPartitioner + +#if $param_i: + -i $param_i +#end if +#if $param_o: + -o $param_o +#end if +#if $param_n: + -n $param_n +#end if +</command> + <inputs> + <param name="param_i" type="data" format="dat" optional="False" value="<class 'CTDopts.CTDopts._Null'>" label="input data-file" help="(-i) "/> + <param name="param_n" type="integer" value="0" label="number of partitions" help="(-n) "/> + </inputs> + <expand macro="advanced_options"/> + <outputs> + <data name="param_o" format="dat"/> + </outputs> + <help>InputPartitioner partitions a given QSAR data set into n partitions with evenly distributed response values. +Thus, this tool can be useful as part of a nested validation pipeline. +Input is a data file as generated by InputReader. +Output will be written to n files postfixed '_TRAIN<i>.dat' and '_TEST<i>.dat', where <i> is the ID of the resp. partition. For each of these partitions, the training set contains only those compounds that were not selected for the resp. test set. + +</help> +</tool>