Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite-1.6/galaxyconfigs/tools/InputPartitioner.xml @ 17:25a03362403c draft
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| author | marcel |
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| date | Sat, 15 Dec 2012 13:10:41 -0500 |
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| 16:1a24aef40d01 | 17:25a03362403c |
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| 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="1.6"> | |
| 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<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> | |
| 28 </tool> |