comparison SvmTheoreticalSpectrumGeneratorTrainer.xml @ 0:a92f7bc73817 draft

planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit fb85d488133bb2b5f483b52b2db0ac66038fafb8
author galaxyp
date Wed, 01 Mar 2017 12:36:05 -0500
parents
children be688ba2bc09
comparison
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-1:000000000000 0:a92f7bc73817
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: [Utilities]-->
4 <tool id="SvmTheoreticalSpectrumGeneratorTrainer" name="SvmTheoreticalSpectrumGeneratorTrainer" version="2.1.0">
5 <description>Trainer for SVM models as input for SvmTheoreticalSpectrumGenerator</description>
6 <macros>
7 <token name="@EXECUTABLE@">SvmTheoreticalSpectrumGeneratorTrainer</token>
8 <import>macros.xml</import>
9 </macros>
10 <expand macro="references"/>
11 <expand macro="stdio"/>
12 <expand macro="requirements"/>
13 <command>SvmTheoreticalSpectrumGeneratorTrainer
14
15 #if $param_in_spectra:
16 -in_spectra $param_in_spectra
17 #end if
18 #if $param_in_identifications:
19 -in_identifications $param_in_identifications
20 #end if
21 #if $param_model_output_file:
22 -model_output_file $param_model_output_file
23 #end if
24 #if $param_precursor_charge:
25 -precursor_charge $param_precursor_charge
26 #end if
27 #if $param_write_training_files:
28 -write_training_files
29 #end if
30 #if $param_algorithm_number_intensity_levels:
31 -algorithm:number_intensity_levels $param_algorithm_number_intensity_levels
32 #end if
33 #if $param_algorithm_number_regions:
34 -algorithm:number_regions $param_algorithm_number_regions
35 #end if
36 #if $param_algorithm_parent_tolerance:
37 -algorithm:parent_tolerance $param_algorithm_parent_tolerance
38 #end if
39 #if $param_algorithm_peak_tolerance:
40 -algorithm:peak_tolerance $param_algorithm_peak_tolerance
41 #end if
42 #if $param_algorithm_add_b_ions:
43 -algorithm:add_b_ions $param_algorithm_add_b_ions
44 #end if
45 #if $param_algorithm_add_y_ions:
46 -algorithm:add_y_ions $param_algorithm_add_y_ions
47 #end if
48 #if $param_algorithm_add_a_ions:
49 -algorithm:add_a_ions
50 #end if
51 #if $param_algorithm_add_c_ions:
52 -algorithm:add_c_ions
53 #end if
54 #if $param_algorithm_add_x_ions:
55 -algorithm:add_x_ions
56 #end if
57 #if $param_algorithm_add_z_ions:
58 -algorithm:add_z_ions
59 #end if
60 #if $param_algorithm_add_losses:
61 -algorithm:add_losses
62 #end if
63 #if $param_algorithm_add_b2_ions:
64 -algorithm:add_b2_ions
65 #end if
66 #if $param_algorithm_add_y2_ions:
67 -algorithm:add_y2_ions
68 #end if
69 #if $param_algorithm_svm_svc_type:
70 -algorithm:svm:svc_type $param_algorithm_svm_svc_type
71 #end if
72 #if $param_algorithm_svm_svr_type:
73 -algorithm:svm:svr_type $param_algorithm_svm_svr_type
74 #end if
75 #if $param_algorithm_svm_scaling:
76 -algorithm:svm:scaling $param_algorithm_svm_scaling
77 #end if
78 #if $param_algorithm_svm_scaling_lower:
79 -algorithm:svm:scaling_lower $param_algorithm_svm_scaling_lower
80 #end if
81 #if $param_algorithm_svm_scaling_upper:
82 -algorithm:svm:scaling_upper $param_algorithm_svm_scaling_upper
83 #end if
84 #if $param_algorithm_svm_n_fold:
85 -algorithm:svm:n_fold $param_algorithm_svm_n_fold
86 #end if
87 #if $param_algorithm_svm_grid:
88 -algorithm:svm:grid
89 #end if
90 #if $param_algorithm_svm_additive_cv:
91 -algorithm:svm:additive_cv
92 #end if
93 #if $param_algorithm_svm_svc_kernel_type:
94 -algorithm:svm:svc:kernel_type $param_algorithm_svm_svc_kernel_type
95 #end if
96 #if $param_algorithm_svm_svc_degree:
97 -algorithm:svm:svc:degree $param_algorithm_svm_svc_degree
98 #end if
99 #if $param_algorithm_svm_svc_gamma:
100 -algorithm:svm:svc:gamma $param_algorithm_svm_svc_gamma
101 #end if
102 #if $param_algorithm_svm_svc_C:
103 -algorithm:svm:svc:C $param_algorithm_svm_svc_C
104 #end if
105 #if $param_algorithm_svm_svc_nu:
106 -algorithm:svm:svc:nu $param_algorithm_svm_svc_nu
107 #end if
108 #if $param_algorithm_svm_svc_balancing:
109 -algorithm:svm:svc:balancing $param_algorithm_svm_svc_balancing
110 #end if
111 #if $param_algorithm_svm_svc_degree_start:
112 -algorithm:svm:svc:degree_start $param_algorithm_svm_svc_degree_start
113 #end if
114 #if $param_algorithm_svm_svc_degree_step_size:
115 -algorithm:svm:svc:degree_step_size $param_algorithm_svm_svc_degree_step_size
116 #end if
117 #if $param_algorithm_svm_svc_degree_stop:
118 -algorithm:svm:svc:degree_stop $param_algorithm_svm_svc_degree_stop
119 #end if
120 #if $param_algorithm_svm_svc_gamma_start:
121 -algorithm:svm:svc:gamma_start $param_algorithm_svm_svc_gamma_start
122 #end if
123 #if $param_algorithm_svm_svc_gamma_step_size:
124 -algorithm:svm:svc:gamma_step_size $param_algorithm_svm_svc_gamma_step_size
125 #end if
126 #if $param_algorithm_svm_svc_gamma_stop:
127 -algorithm:svm:svc:gamma_stop $param_algorithm_svm_svc_gamma_stop
128 #end if
129 #if $param_algorithm_svm_svc_c_start:
130 -algorithm:svm:svc:c_start $param_algorithm_svm_svc_c_start
131 #end if
132 #if $param_algorithm_svm_svc_c_step_size:
133 -algorithm:svm:svc:c_step_size $param_algorithm_svm_svc_c_step_size
134 #end if
135 #if $param_algorithm_svm_svc_c_stop:
136 -algorithm:svm:svc:c_stop $param_algorithm_svm_svc_c_stop
137 #end if
138 #if $param_algorithm_svm_svc_nu_start:
139 -algorithm:svm:svc:nu_start $param_algorithm_svm_svc_nu_start
140 #end if
141 #if $param_algorithm_svm_svc_nu_step_size:
142 -algorithm:svm:svc:nu_step_size $param_algorithm_svm_svc_nu_step_size
143 #end if
144 #if $param_algorithm_svm_svc_nu_stop:
145 -algorithm:svm:svc:nu_stop $param_algorithm_svm_svc_nu_stop
146 #end if
147 #if $param_algorithm_svm_svr_kernel_type:
148 -algorithm:svm:svr:kernel_type $param_algorithm_svm_svr_kernel_type
149 #end if
150 #if $param_algorithm_svm_svr_degree:
151 -algorithm:svm:svr:degree $param_algorithm_svm_svr_degree
152 #end if
153 #if $param_algorithm_svm_svr_gamma:
154 -algorithm:svm:svr:gamma $param_algorithm_svm_svr_gamma
155 #end if
156 #if $param_algorithm_svm_svr_C:
157 -algorithm:svm:svr:C $param_algorithm_svm_svr_C
158 #end if
159 #if $param_algorithm_svm_svr_p:
160 -algorithm:svm:svr:p $param_algorithm_svm_svr_p
161 #end if
162 #if $param_algorithm_svm_svr_nu:
163 -algorithm:svm:svr:nu $param_algorithm_svm_svr_nu
164 #end if
165 #if $param_algorithm_svm_svr_degree_start:
166 -algorithm:svm:svr:degree_start $param_algorithm_svm_svr_degree_start
167 #end if
168 #if $param_algorithm_svm_svr_degree_step_size:
169 -algorithm:svm:svr:degree_step_size $param_algorithm_svm_svr_degree_step_size
170 #end if
171 #if $param_algorithm_svm_svr_degree_stop:
172 -algorithm:svm:svr:degree_stop $param_algorithm_svm_svr_degree_stop
173 #end if
174 #if $param_algorithm_svm_svr_gamma_start:
175 -algorithm:svm:svr:gamma_start $param_algorithm_svm_svr_gamma_start
176 #end if
177 #if $param_algorithm_svm_svr_gamma_step_size:
178 -algorithm:svm:svr:gamma_step_size $param_algorithm_svm_svr_gamma_step_size
179 #end if
180 #if $param_algorithm_svm_svr_gamma_stop:
181 -algorithm:svm:svr:gamma_stop $param_algorithm_svm_svr_gamma_stop
182 #end if
183 #if $param_algorithm_svm_svr_p_start:
184 -algorithm:svm:svr:p_start $param_algorithm_svm_svr_p_start
185 #end if
186 #if $param_algorithm_svm_svr_p_step_size:
187 -algorithm:svm:svr:p_step_size $param_algorithm_svm_svr_p_step_size
188 #end if
189 #if $param_algorithm_svm_svr_p_stop:
190 -algorithm:svm:svr:p_stop $param_algorithm_svm_svr_p_stop
191 #end if
192 #if $param_algorithm_svm_svr_c_start:
193 -algorithm:svm:svr:c_start $param_algorithm_svm_svr_c_start
194 #end if
195 #if $param_algorithm_svm_svr_c_step_size:
196 -algorithm:svm:svr:c_step_size $param_algorithm_svm_svr_c_step_size
197 #end if
198 #if $param_algorithm_svm_svr_c_stop:
199 -algorithm:svm:svr:c_stop $param_algorithm_svm_svr_c_stop
200 #end if
201 #if $param_algorithm_svm_svr_nu_start:
202 -algorithm:svm:svr:nu_start $param_algorithm_svm_svr_nu_start
203 #end if
204 #if $param_algorithm_svm_svr_nu_step_size:
205 -algorithm:svm:svr:nu_step_size $param_algorithm_svm_svr_nu_step_size
206 #end if
207 #if $param_algorithm_svm_svr_nu_stop:
208 -algorithm:svm:svr:nu_stop $param_algorithm_svm_svr_nu_stop
209 #end if
210 #if $adv_opts.adv_opts_selector=='advanced':
211 #if $adv_opts.param_force:
212 -force
213 #end if
214 #end if
215 </command>
216 <inputs>
217 <param name="param_in_spectra" type="data" format="mzml" optional="False" label="Input Training Spectra in mzML" help="(-in_spectra) "/>
218 <param name="param_in_identifications" type="data" format="idxml" optional="False" label="Input file with corresponding sequences in idXML" help="(-in_identifications) "/>
219 <param name="param_precursor_charge" type="integer" min="1" max="3" optional="True" value="2" label="Precursor charge state used for model training" help="(-precursor_charge) "/>
220 <param name="param_write_training_files" display="radio" type="boolean" truevalue="-write_training_files" falsevalue="" checked="false" optional="True" label="No models are trained but input training files for libSVM command line tools are produced" help="(-write_training_files) "/>
221 <param name="param_algorithm_number_intensity_levels" type="integer" value="7" label="The number of intensity bins (for secondary type models)" help="(-number_intensity_levels) "/>
222 <param name="param_algorithm_number_regions" type="integer" value="3" label="The number of regions each spectrum is split to (for secondary type models)" help="(-number_regions) "/>
223 <param name="param_algorithm_parent_tolerance" type="float" value="2.5" label="The maximum difference between theoretical and experimental parent mass to accept training spectrum" help="(-parent_tolerance) "/>
224 <param name="param_algorithm_peak_tolerance" type="float" value="0.5" label="The maximum mass error for a peak to the expected mass of some ion type" help="(-peak_tolerance) "/>
225 <param name="param_algorithm_add_b_ions" display="radio" type="select" optional="False" value="true" label="Train simulator for b-ions" help="(-add_b_ions) ">
226 <option value="true" selected="true">true</option>
227 <option value="false">false</option>
228 </param>
229 <param name="param_algorithm_add_y_ions" display="radio" type="select" optional="False" value="true" label="Train simulator for y-ions" help="(-add_y_ions) ">
230 <option value="true" selected="true">true</option>
231 <option value="false">false</option>
232 </param>
233 <param name="param_algorithm_add_a_ions" display="radio" type="boolean" truevalue="-algorithm:add_a_ions" falsevalue="" checked="false" optional="True" label="Train simulator for a-ions" help="(-add_a_ions) "/>
234 <param name="param_algorithm_add_c_ions" display="radio" type="boolean" truevalue="-algorithm:add_c_ions" falsevalue="" checked="false" optional="True" label="Train simulator for c-ions" help="(-add_c_ions) "/>
235 <param name="param_algorithm_add_x_ions" display="radio" type="boolean" truevalue="-algorithm:add_x_ions" falsevalue="" checked="false" optional="True" label="Train simulator for x-ions" help="(-add_x_ions) "/>
236 <param name="param_algorithm_add_z_ions" display="radio" type="boolean" truevalue="-algorithm:add_z_ions" falsevalue="" checked="false" optional="True" label="Train simulator for z-ions" help="(-add_z_ions) "/>
237 <param name="param_algorithm_add_losses" display="radio" type="boolean" truevalue="-algorithm:add_losses" falsevalue="" checked="false" optional="True" label="Train simulator for neutral losses of H2O and NH3 for b-ions and y-ions" help="(-add_losses) "/>
238 <param name="param_algorithm_add_b2_ions" display="radio" type="boolean" truevalue="-algorithm:add_b2_ions" falsevalue="" checked="false" optional="True" label="Train simulator for doubly charged b-ions" help="(-add_b2_ions) "/>
239 <param name="param_algorithm_add_y2_ions" display="radio" type="boolean" truevalue="-algorithm:add_y2_ions" falsevalue="" checked="false" optional="True" label="Train simulator for double charged y-ions" help="(-add_y2_ions) "/>
240 <param name="param_algorithm_svm_svc_type" type="integer" min="0" max="1" optional="True" value="0" label="Type of the SVC: 0=C_SVC 1=NU_SVC" help="(-svc_type) "/>
241 <param name="param_algorithm_svm_svr_type" type="integer" min="0" max="1" optional="True" value="1" label="Type of the SVR: 0=EPSILON_SVR 1=NU_SVR" help="(-svr_type) "/>
242 <param name="param_algorithm_svm_scaling" display="radio" type="select" optional="False" value="true" label="Apply scaling of feature values" help="(-scaling) ">
243 <option value="true" selected="true">true</option>
244 <option value="false">false</option>
245 </param>
246 <param name="param_algorithm_svm_scaling_lower" type="float" value="0.0" label="Lower bound for scaling" help="(-scaling_lower) "/>
247 <param name="param_algorithm_svm_scaling_upper" type="float" value="1.0" label="Upper bound for scaling" help="(-scaling_upper) "/>
248 <param name="param_algorithm_svm_n_fold" type="integer" min="1" optional="True" value="5" label="n_fold cross validation is performed" help="(-n_fold) "/>
249 <param name="param_algorithm_svm_grid" display="radio" type="boolean" truevalue="-algorithm:svm:grid" falsevalue="" checked="false" optional="True" label="Perform grid search" help="(-grid) "/>
250 <param name="param_algorithm_svm_additive_cv" display="radio" type="boolean" truevalue="-algorithm:svm:additive_cv" falsevalue="" checked="false" optional="True" label="Additive step size (if false multiplicative)" help="(-additive_cv) "/>
251 <param name="param_algorithm_svm_svc_kernel_type" type="integer" min="0" max="3" optional="True" value="2" label="Type of the kernel: 0=LINEAR 1=POLY 2=RBF 3=SIGMOID" help="(-kernel_type) "/>
252 <param name="param_algorithm_svm_svc_degree" type="integer" min="1" optional="True" value="3" label="For POLY" help="(-degree) "/>
253 <param name="param_algorithm_svm_svc_gamma" type="float" min="0.0" optional="True" value="0.0" label="For POLY/RBF/SIGMOID" help="(-gamma) "/>
254 <param name="param_algorithm_svm_svc_C" type="float" value="1.0" label="Cost of constraint violation" help="(-C) "/>
255 <param name="param_algorithm_svm_svc_nu" type="float" value="0.5" label="For NU_SVC, ONE_CLASS and NU_SVR" help="(-nu) "/>
256 <param name="param_algorithm_svm_svc_balancing" display="radio" type="select" optional="False" value="true" label="Use class balanced SVC training" help="(-balancing) ">
257 <option value="true" selected="true">true</option>
258 <option value="false">false</option>
259 </param>
260 <param name="param_algorithm_svm_svc_degree_start" type="integer" min="1" optional="True" value="1" label="starting point of degree" help="(-degree_start) "/>
261 <param name="param_algorithm_svm_svc_degree_step_size" type="integer" value="2" label="step size point of degree" help="(-degree_step_size) "/>
262 <param name="param_algorithm_svm_svc_degree_stop" type="integer" value="4" label="stopping point of degree" help="(-degree_stop) "/>
263 <param name="param_algorithm_svm_svc_gamma_start" type="float" min="0.0" max="1.0" optional="True" value="1e-05" label="starting point of gamma" help="(-gamma_start) "/>
264 <param name="param_algorithm_svm_svc_gamma_step_size" type="integer" value="100" label="step size point of gamma" help="(-gamma_step_size) "/>
265 <param name="param_algorithm_svm_svc_gamma_stop" type="float" value="0.1" label="stopping point of gamma" help="(-gamma_stop) "/>
266 <param name="param_algorithm_svm_svc_c_start" type="float" value="0.1" label="starting point of c" help="(-c_start) "/>
267 <param name="param_algorithm_svm_svc_c_step_size" type="integer" value="100" label="step size of c" help="(-c_step_size) "/>
268 <param name="param_algorithm_svm_svc_c_stop" type="integer" value="1000" label="stopping point of c" help="(-c_stop) "/>
269 <param name="param_algorithm_svm_svc_nu_start" type="float" min="0.0" max="1.0" optional="True" value="0.3" label="starting point of nu" help="(-nu_start) "/>
270 <param name="param_algorithm_svm_svc_nu_step_size" type="integer" value="2" label="step size of nu" help="(-nu_step_size) "/>
271 <param name="param_algorithm_svm_svc_nu_stop" type="float" min="0.0" max="1.0" optional="True" value="0.6" label="stopping point of nu" help="(-nu_stop) "/>
272 <param name="param_algorithm_svm_svr_kernel_type" type="integer" min="0" max="3" optional="True" value="2" label="Type of the kernel: 0=LINEAR 1=POLY 2=RBF 3=SIGMOID" help="(-kernel_type) "/>
273 <param name="param_algorithm_svm_svr_degree" type="integer" min="1" optional="True" value="3" label="For POLY" help="(-degree) "/>
274 <param name="param_algorithm_svm_svr_gamma" type="float" min="0.0" optional="True" value="0.0" label="For POLY/RBF/SIGMOID" help="(-gamma) "/>
275 <param name="param_algorithm_svm_svr_C" type="float" value="1.0" label="Cost of constraint violation" help="(-C) "/>
276 <param name="param_algorithm_svm_svr_p" type="float" value="0.1" label="The epsilon for the loss function in epsilon-SVR" help="(-p) "/>
277 <param name="param_algorithm_svm_svr_nu" type="float" value="0.5" label="For NU_SVC, ONE_CLASS and NU_SVR" help="(-nu) "/>
278 <param name="param_algorithm_svm_svr_degree_start" type="integer" min="1" optional="True" value="1" label="starting point of degree" help="(-degree_start) "/>
279 <param name="param_algorithm_svm_svr_degree_step_size" type="integer" value="2" label="step size point of degree" help="(-degree_step_size) "/>
280 <param name="param_algorithm_svm_svr_degree_stop" type="integer" value="4" label="stopping point of degree" help="(-degree_stop) "/>
281 <param name="param_algorithm_svm_svr_gamma_start" type="float" min="0.0" max="1.0" optional="True" value="1e-05" label="starting point of gamma" help="(-gamma_start) "/>
282 <param name="param_algorithm_svm_svr_gamma_step_size" type="integer" value="100" label="step size point of gamma" help="(-gamma_step_size) "/>
283 <param name="param_algorithm_svm_svr_gamma_stop" type="float" value="0.1" label="stopping point of gamma" help="(-gamma_stop) "/>
284 <param name="param_algorithm_svm_svr_p_start" type="float" value="1e-05" label="starting point of p" help="(-p_start) "/>
285 <param name="param_algorithm_svm_svr_p_step_size" type="integer" value="100" label="step size point of p" help="(-p_step_size) "/>
286 <param name="param_algorithm_svm_svr_p_stop" type="float" value="0.1" label="stopping point of p" help="(-p_stop) "/>
287 <param name="param_algorithm_svm_svr_c_start" type="float" value="0.1" label="starting point of c" help="(-c_start) "/>
288 <param name="param_algorithm_svm_svr_c_step_size" type="integer" value="100" label="step size of c" help="(-c_step_size) "/>
289 <param name="param_algorithm_svm_svr_c_stop" type="integer" value="1000" label="stopping point of c" help="(-c_stop) "/>
290 <param name="param_algorithm_svm_svr_nu_start" type="float" min="0.0" max="1.0" optional="True" value="0.3" label="starting point of nu" help="(-nu_start) "/>
291 <param name="param_algorithm_svm_svr_nu_step_size" type="integer" value="2" label="step size of nu" help="(-nu_step_size) "/>
292 <param name="param_algorithm_svm_svr_nu_stop" type="float" min="0.0" max="1.0" optional="True" value="0.6" label="stopping point of nu" help="(-nu_stop) "/>
293 <expand macro="advanced_options">
294 <param name="param_force" display="radio" type="boolean" truevalue="-force" falsevalue="" checked="false" optional="True" label="Overwrite tool specific checks" help="(-force) "/>
295 </expand>
296 </inputs>
297 <outputs>
298 <data name="param_model_output_file" format="data"/>
299 </outputs>
300 <help>Trainer for SVM models as input for SvmTheoreticalSpectrumGenerator
301
302
303 For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/UTILS_SvmTheoreticalSpectrumGeneratorTrainer.html</help>
304 </tool>