Mercurial > repos > marcel > caddsuite_linux_x86_64
annotate CADDSuite-1.5/galaxyconfigs/tools/InputPartitioner.xml @ 15:ac342506cd4e draft
CADDSuite version 1.5
author | Marcel Schumann <schumann.marcel@gmail.com> |
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date | Tue, 24 Jul 2012 11:08:49 -0400 |
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Marcel Schumann <schumann.marcel@gmail.com>
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1 |
ac342506cd4e
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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.--> |
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3 <tool id="inputpartitioner" name="InputPartitioner" version="1.5"> |
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4 <description>split QSAR data set</description> |
ac342506cd4e
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5 <command interpreter="bash"><![CDATA[../../InputPartitioner |
ac342506cd4e
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6 #if str( $i ) != '' and str( $i ) != 'None' : |
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7 -i "$i" |
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8 #end if |
ac342506cd4e
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9 #if str( $o ) != '' and str( $o ) != 'None' : |
ac342506cd4e
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10 -o "$o" |
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11 #end if |
ac342506cd4e
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12 #if str( $n ) != '' and str( $n ) != 'None' : |
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13 -n "$n" |
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14 #end if |
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15 | tail -n 5 |
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16 ]]></command> |
ac342506cd4e
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17 <inputs> |
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18 <param name="i" optional="false" label="input data-file" type="data" format="dat"/> |
ac342506cd4e
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19 <param name="n" optional="false" label="number of partitions" type="text" area="true" size="1x5" value=""/> |
ac342506cd4e
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20 </inputs> |
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21 <outputs> |
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22 <data name="o" format="dat"/> |
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23 </outputs> |
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24 <help>InputPartitioner partitions a given QSAR data set into n partitions with evenly distributed response values. |
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25 Thus, this tool can be useful as part of a nested validation pipeline. |
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26 Input is a data file as generated by InputReader. |
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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> |
ac342506cd4e
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28 </tool> |