Mercurial > repos > galaxyp > openms_svmtheoreticalspectrumgeneratortrainer
comparison SvmTheoreticalSpectrumGeneratorTrainer.xml @ 0:a92f7bc73817 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit fb85d488133bb2b5f483b52b2db0ac66038fafb8
author | galaxyp |
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date | Wed, 01 Mar 2017 12:36:05 -0500 |
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children | be688ba2bc09 |
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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: [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> |