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comparison galaxy_stubs/ModelCreator.xml @ 2:605370bc1def draft default tip

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author luis
date Tue, 12 Jul 2016 12:33:33 -0400
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1 <?xml version='1.0' encoding='UTF-8'?>
2 <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTD2Galaxy.-->
3 <!--Proposed Tool Section: [QuEasy (QSAR)]-->
4 <tool id="ModelCreator" name="ModelCreator" version="1.1">
5 <description>create a QSAR model </description>
6 <macros>
7 <token name="@EXECUTABLE@">ModelCreator</token>
8 <import>macros.xml</import>
9 </macros>
10 <expand macro="stdio"/>
11 <expand macro="requirements"/>
12 <command>ModelCreator
13
14 #if $param_i:
15 -i $param_i
16 #end if
17 #if $param_o:
18 -o $param_o
19 #end if
20 #if $param_type:
21 -type
22 #if " " in str($param_type):
23 "$param_type"
24 #else
25 $param_type
26 #end if
27 #end if
28 #if $param_kernel:
29 -kernel
30 #if " " in str($param_kernel):
31 "$param_kernel"
32 #else
33 $param_kernel
34 #end if
35 #end if
36 </command>
37 <inputs>
38 <param name="param_i" type="data" format="dat" optional="False" value="&lt;class 'CTDopts.CTDopts._Null'&gt;" label="input dat-file" help="(-i) "/>
39 <param name="param_type" type="select" optional="False" value="&lt;class 'CTDopts.CTDopts._Null'&gt;" label="model type" help="(-type) ">
40 <option value="MLR">MLR</option>
41 <option value=" RR"> RR</option>
42 <option value=" PCR"> PCR</option>
43 <option value=" PLS"> PLS</option>
44 <option value=" OPLS"> OPLS</option>
45 <option value=" ALL"> ALL</option>
46 <option value=" KNN"> KNN</option>
47 <option value=" KPLS"> KPLS</option>
48 <option value=" KPCR"> KPCR</option>
49 <option value=" GP"> GP</option>
50 <option value=" SVR"> SVR</option>
51 <option value=" LDA"> LDA</option>
52 <option value=" snB"> snB</option>
53 <option value=" nB"> nB</option>
54 </param>
55 <param name="param_kernel" type="select" optional="True" value="&lt;class 'CTDopts.CTDopts._Null'&gt;" label="kernel type (in case of kernel-model)" help="(-kernel) ">
56 <option value="none">none</option>
57 <option value=" polynomial"> polynomial</option>
58 <option value=" rbf"> rbf</option>
59 <option value=" sigmoidal"> sigmoidal</option>
60 </param>
61 </inputs>
62 <expand macro="advanced_options"/>
63 <outputs>
64 <data name="param_o" format="mod"/>
65 </outputs>
66 <help>ModelCreator creates a QSAR model using an input data set as generated by InputReader.
67
68 The type of QSAR model to be used can be specified by '-type', the type of kernel-function (if any) can be chosen by '-kernel'. Optimization of model- and kernel-parmeters will be done automatically using cross-validation.
69
70 Output of this tool is a model-file that can be used by other QuEasy tools (e.g. FeatureSelector).
71
72 </help>
73 </tool>