comparison CADDSuite-1.5/galaxyconfigs/tools/InputPartitioner.xml @ 15:ac342506cd4e draft

CADDSuite version 1.5
author Marcel Schumann <schumann.marcel@gmail.com>
date Tue, 24 Jul 2012 11:08:49 -0400
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14:55c32b55c2c2 15:ac342506cd4e
1
2 <!--This is a configuration file for the integration of a CADDSuite tool into Galaxy (http://usegalaxy.org). This file was automatically generated using GalaxyConfigGenerator, so do not bother to make too many manual modifications.-->
3 <tool id="inputpartitioner" name="InputPartitioner" version="1.5">
4 <description>split QSAR data set</description>
5 <command interpreter="bash"><![CDATA[../../InputPartitioner
6 #if str( $i ) != '' and str( $i ) != 'None' :
7 -i "$i"
8 #end if
9 #if str( $o ) != '' and str( $o ) != 'None' :
10 -o "$o"
11 #end if
12 #if str( $n ) != '' and str( $n ) != 'None' :
13 -n "$n"
14 #end if
15 | tail -n 5
16 ]]></command>
17 <inputs>
18 <param name="i" optional="false" label="input data-file" type="data" format="dat"/>
19 <param name="n" optional="false" label="number of partitions" type="text" area="true" size="1x5" value=""/>
20 </inputs>
21 <outputs>
22 <data name="o" format="dat"/>
23 </outputs>
24 <help>InputPartitioner partitions a given QSAR data set into n partitions with evenly distributed response values.
25 Thus, this tool can be useful as part of a nested validation pipeline.
26 Input is a data file as generated by InputReader.
27 Output will be written to n files postfixed '_TRAIN&lt;i&gt;.dat' and '_TEST&lt;i&gt;.dat', where &lt;i&gt; 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>
28 </tool>