Mercurial > repos > galaxyp > openms_percolatoradapter
comparison PercolatorAdapter.xml @ 4:e7881a82b56d draft
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
author | galaxyp |
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date | Thu, 27 Aug 2020 19:52:08 -0400 |
parents | 4ed4e0b7f57c |
children | 147aaac03456 |
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3:b0dd2bd8e710 | 4:e7881a82b56d |
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1 <?xml version='1.0' encoding='UTF-8'?> | 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 CTDConverter.--> | 2 <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTDConverter.--> |
3 <!--Proposed Tool Section: [ID Processing]--> | 3 <!--Proposed Tool Section: [ID Processing]--> |
4 <tool id="PercolatorAdapter" name="PercolatorAdapter" version="2.3.0"> | 4 <tool id="PercolatorAdapter" name="PercolatorAdapter" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@" profile="20.05"> |
5 <description>Facilitate input to Percolator and reintegrate.</description> | 5 <description>Facilitate input to Percolator and reintegrate.</description> |
6 <macros> | 6 <macros> |
7 <token name="@EXECUTABLE@">PercolatorAdapter</token> | 7 <token name="@EXECUTABLE@">PercolatorAdapter</token> |
8 <import>macros.xml</import> | 8 <import>macros.xml</import> |
9 <import>macros_autotest.xml</import> | |
10 <import>macros_test.xml</import> | |
9 </macros> | 11 </macros> |
10 <expand macro="references"/> | 12 <expand macro="requirements"/> |
11 <expand macro="stdio"/> | 13 <expand macro="stdio"/> |
12 <expand macro="requirements"/> | 14 <command detect_errors="exit_code"><![CDATA[@QUOTE_FOO@ |
13 <command detect_errors="aggressive"><![CDATA[PercolatorAdapter | 15 @EXT_FOO@ |
14 | 16 #import re |
15 -in | 17 |
16 #for token in $param_in: | 18 ## Preprocessing |
17 $token | 19 #if $in: |
18 #end for | 20 mkdir in && |
19 -in_decoy | 21 ${ ' '.join(["ln -s '%s' 'in/%s.%s' &&" % (_, re.sub('[^\w\-_]', '_', _.element_identifier), $gxy2omsext(_.ext)) for _ in $in if _]) } |
20 #for token in $param_in_decoy: | 22 #end if |
21 $token | 23 #if $in_decoy: |
22 #end for | 24 mkdir in_decoy && |
23 #if $param_out: | 25 ${ ' '.join(["ln -s '%s' 'in_decoy/%s.%s' &&" % (_, re.sub('[^\w\-_]', '_', _.element_identifier), $gxy2omsext(_.ext)) for _ in $in_decoy if _]) } |
24 -out $param_out | 26 #end if |
25 #end if | 27 #if $in_osw: |
26 #if $param_mzid_out: | 28 mkdir in_osw && |
27 -mzid_out $param_mzid_out | 29 ln -s '$in_osw' 'in_osw/${re.sub("[^\w\-_]", "_", $in_osw.element_identifier)}.$gxy2omsext($in_osw.ext)' && |
28 #end if | 30 #end if |
29 #if $param_enzyme: | 31 mkdir out && |
30 -enzyme | 32 #if "out_pin_FLAG" in str($OPTIONAL_OUTPUTS).split(',') |
31 #if " " in str($param_enzyme): | 33 mkdir out_pin && |
32 "$param_enzyme" | 34 #end if |
33 #else | 35 #if "weights_FLAG" in str($OPTIONAL_OUTPUTS).split(',') |
34 $param_enzyme | 36 mkdir weights && |
35 #end if | 37 #end if |
36 #end if | 38 #if $adv_opts_cond.adv_opts_selector=='advanced': |
37 #if $param_percolator_executable: | 39 #if $adv_opts_cond.init_weights: |
38 -percolator_executable $param_percolator_executable | 40 mkdir adv_opts_cond.init_weights && |
39 #end if | 41 ln -s '$adv_opts_cond.init_weights' 'adv_opts_cond.init_weights/${re.sub("[^\w\-_]", "_", $adv_opts_cond.init_weights.element_identifier)}.$gxy2omsext($adv_opts_cond.init_weights.ext)' && |
40 #if $param_peptide_level_fdrs: | 42 #end if |
41 -peptide-level-fdrs | 43 #if $adv_opts_cond.fasta: |
42 #end if | 44 mkdir adv_opts_cond.fasta && |
43 #if $param_protein_level_fdrs: | 45 ln -s '$adv_opts_cond.fasta' 'adv_opts_cond.fasta/${re.sub("[^\w\-_]", "_", $adv_opts_cond.fasta.element_identifier)}.$gxy2omsext($adv_opts_cond.fasta.ext)' && |
44 -protein-level-fdrs | 46 #end if |
45 #end if | 47 #end if |
46 #if $param_weights: | 48 |
47 -weights $param_weights | 49 ## Main program call |
48 #end if | 50 |
49 #if $adv_opts.adv_opts_selector=='advanced': | 51 set -o pipefail && |
50 #if $adv_opts.param_generic_feature_set: | 52 @EXECUTABLE@ -write_ctd ./ && |
51 -generic-feature-set | 53 python3 '$__tool_directory__/fill_ctd.py' '@EXECUTABLE@.ctd' '$args_json' '$hardcoded_json' && |
52 #end if | 54 @EXECUTABLE@ -ini @EXECUTABLE@.ctd |
53 #if $adv_opts.param_subset_max_train: | 55 #if $in: |
54 -subset-max-train $adv_opts.param_subset_max_train | 56 -in |
55 #end if | 57 ${' '.join(["'in/%s.%s'"%(re.sub('[^\w\-_]', '_', _.element_identifier), $gxy2omsext(_.ext)) for _ in $in if _])} |
56 #if $adv_opts.param_cpos: | 58 #end if |
57 -cpos $adv_opts.param_cpos | 59 #if $in_decoy: |
58 #end if | 60 -in_decoy |
59 #if $adv_opts.param_cneg: | 61 ${' '.join(["'in_decoy/%s.%s'"%(re.sub('[^\w\-_]', '_', _.element_identifier), $gxy2omsext(_.ext)) for _ in $in_decoy if _])} |
60 -cneg $adv_opts.param_cneg | 62 #end if |
61 #end if | 63 #if $in_osw: |
62 #if $adv_opts.param_testFDR: | 64 -in_osw |
63 -testFDR $adv_opts.param_testFDR | 65 'in_osw/${re.sub("[^\w\-_]", "_", $in_osw.element_identifier)}.$gxy2omsext($in_osw.ext)' |
64 #end if | 66 #end if |
65 #if $adv_opts.param_trainFDR: | 67 -out |
66 -trainFDR $adv_opts.param_trainFDR | 68 'out/output.${out_type}' |
67 #end if | 69 #if "out_pin_FLAG" in str($OPTIONAL_OUTPUTS).split(',') |
68 #if $adv_opts.param_maxiter: | 70 -out_pin |
69 -maxiter $adv_opts.param_maxiter | 71 'out_pin/output.${gxy2omsext("tabular")}' |
70 #end if | 72 #end if |
71 #if $adv_opts.param_quick_validation: | 73 #if "weights_FLAG" in str($OPTIONAL_OUTPUTS).split(',') |
72 -quick-validation | 74 -weights |
73 #end if | 75 'weights/output.${gxy2omsext("txt")}' |
74 #if $adv_opts.param_init_weights: | 76 #end if |
75 -init-weights $adv_opts.param_init_weights | 77 #if $adv_opts_cond.adv_opts_selector=='advanced': |
76 #end if | 78 #if $adv_opts_cond.init_weights: |
77 #if $adv_opts.param_default_direction: | 79 -init-weights |
78 -default-direction "$adv_opts.param_default_direction" | 80 'adv_opts_cond.init_weights/${re.sub("[^\w\-_]", "_", $adv_opts_cond.init_weights.element_identifier)}.$gxy2omsext($adv_opts_cond.init_weights.ext)' |
79 #end if | 81 #end if |
80 #if $adv_opts.param_verbose: | 82 #if $adv_opts_cond.fasta: |
81 -verbose $adv_opts.param_verbose | 83 -fasta |
82 #end if | 84 'adv_opts_cond.fasta/${re.sub("[^\w\-_]", "_", $adv_opts_cond.fasta.element_identifier)}.$gxy2omsext($adv_opts_cond.fasta.ext)' |
83 #if $adv_opts.param_unitnorm: | 85 #end if |
84 -unitnorm | 86 #end if |
85 #end if | 87 #if len(str($OPTIONAL_OUTPUTS).split(',')) == 0 |
86 #if $adv_opts.param_test_each_iteration: | 88 | tee '$stdout' |
87 -test-each-iteration | 89 #end if |
88 #end if | 90 |
89 #if $adv_opts.param_override: | 91 ## Postprocessing |
90 -override | 92 && mv 'out/output.${out_type}' '$out' |
91 #end if | 93 #if "out_pin_FLAG" in str($OPTIONAL_OUTPUTS).split(',') |
92 #if $adv_opts.param_seed: | 94 && mv 'out_pin/output.${gxy2omsext("tabular")}' '$out_pin' |
93 -seed $adv_opts.param_seed | 95 #end if |
94 #end if | 96 #if "weights_FLAG" in str($OPTIONAL_OUTPUTS).split(',') |
95 #if $adv_opts.param_doc: | 97 && mv 'weights/output.${gxy2omsext("txt")}' '$weights' |
96 -doc $adv_opts.param_doc | 98 #end if |
97 #end if | 99 #if "ctd_out_FLAG" in $OPTIONAL_OUTPUTS |
98 #if $adv_opts.param_klammer: | 100 && mv '@EXECUTABLE@.ctd' '$ctd_out' |
99 -klammer | 101 #end if]]></command> |
100 #end if | 102 <configfiles> |
101 #if $adv_opts.param_fasta: | 103 <inputs name="args_json" data_style="paths"/> |
102 -fasta $adv_opts.param_fasta | 104 <configfile name="hardcoded_json"><![CDATA[{"percolator_executable": "percolator", "log": "log.txt", "threads": "\${GALAXY_SLOTS:-1}", "no_progress": true}]]></configfile> |
103 #end if | 105 </configfiles> |
104 #if $adv_opts.param_decoy_pattern: | |
105 -decoy-pattern "$adv_opts.param_decoy_pattern" | |
106 #end if | |
107 #if $adv_opts.param_post_processing_tdc: | |
108 -post-processing-tdc | |
109 #end if | |
110 #if $adv_opts.param_force: | |
111 -force | |
112 #end if | |
113 #end if | |
114 ]]></command> | |
115 <inputs> | 106 <inputs> |
116 <param name="param_in" type="data" format="mzid,idxml" multiple="true" optional="False" size="30" label="Input file(s)" help="(-in) "> | 107 <param name="in" argument="-in" type="data" format="idxml,mzid" multiple="true" optional="true" label="Input file(s)" help=" select idxml,mzid data sets(s)"/> |
117 <sanitizer> | 108 <param name="in_decoy" argument="-in_decoy" type="data" format="idxml,mzid" multiple="true" optional="true" label="Input decoy file(s) in case of separate searches" help=" select idxml,mzid data sets(s)"/> |
118 <valid initial="string.printable"> | 109 <param name="in_osw" argument="-in_osw" type="data" format="osw" optional="true" label="Input file in OSW format" help=" select osw data sets(s)"/> |
119 <remove value="'"/> | 110 <param name="out_type" argument="-out_type" display="radio" type="select" optional="false" label="Output file type -- default: determined from file extension or content" help=""> |
120 <remove value="""/> | 111 <option value="idXML">idxml</option> |
121 </valid> | 112 <option value="mzid">mzid</option> |
122 </sanitizer> | 113 <option value="osw">osw</option> |
123 </param> | 114 <expand macro="list_string_san"/> |
124 <param name="param_in_decoy" type="data" format="mzid,idxml" multiple="true" optional="True" size="30" label="Input decoy file(s) in case of separate searches" help="(-in_decoy) "> | 115 </param> |
125 <sanitizer> | 116 <param name="enzyme" argument="-enzyme" type="select" optional="false" label="Type of enzyme: no_enzyme,elastase,pepsin,proteinasek,thermolysin,chymotrypsin,lys-n,lys-c,arg-c,asp-n,glu-c,trypsin,trypsinp" help=""> |
126 <valid initial="string.printable"> | |
127 <remove value="'"/> | |
128 <remove value="""/> | |
129 </valid> | |
130 </sanitizer> | |
131 </param> | |
132 <param name="param_enzyme" type="select" optional="False" value="trypsin" label="Type of enzyme: no_enzyme,elastase,pepsin,proteinasek,thermolysin,chymotrypsin,lys-n,lys-c,arg-c,asp-n,glu-c,trypsin" help="(-enzyme) "> | |
133 <option value="no_enzyme">no_enzyme</option> | 117 <option value="no_enzyme">no_enzyme</option> |
134 <option value="elastase">elastase</option> | 118 <option value="elastase">elastase</option> |
135 <option value="pepsin">pepsin</option> | 119 <option value="pepsin">pepsin</option> |
136 <option value="proteinasek">proteinasek</option> | 120 <option value="proteinasek">proteinasek</option> |
137 <option value="thermolysin">thermolysin</option> | 121 <option value="thermolysin">thermolysin</option> |
140 <option value="lys-c">lys-c</option> | 124 <option value="lys-c">lys-c</option> |
141 <option value="arg-c">arg-c</option> | 125 <option value="arg-c">arg-c</option> |
142 <option value="asp-n">asp-n</option> | 126 <option value="asp-n">asp-n</option> |
143 <option value="glu-c">glu-c</option> | 127 <option value="glu-c">glu-c</option> |
144 <option value="trypsin" selected="true">trypsin</option> | 128 <option value="trypsin" selected="true">trypsin</option> |
145 </param> | 129 <option value="trypsinp">trypsinp</option> |
146 <param name="param_percolator_executable" type="data" format="txt" value="percolator" label="Percolator executable of the installation" help="(-percolator_executable) e.g. 'percolator.exe'"/> | 130 <expand macro="list_string_san"/> |
147 <param name="param_peptide_level_fdrs" display="radio" type="boolean" truevalue="-peptide-level-fdrs" falsevalue="" checked="false" optional="True" label="Calculate peptide-level FDRs instead of PSM-level FDRs" help="(-peptide-level-fdrs) "/> | 131 </param> |
148 <param name="param_protein_level_fdrs" display="radio" type="boolean" truevalue="-protein-level-fdrs" falsevalue="" checked="false" optional="True" label="Use the picked protein-level FDR to infer protein probabilities" help="(-protein-level-fdrs) Use the -fasta option and -decoy-pattern to set the Fasta file and decoy pattern"/> | 132 <param name="peptide_level_fdrs" argument="-peptide-level-fdrs" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Calculate peptide-level FDRs instead of PSM-level FDRs" help=""/> |
149 <expand macro="advanced_options"> | 133 <param name="protein_level_fdrs" argument="-protein-level-fdrs" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Use the picked protein-level FDR to infer protein probabilities" help="Use the -fasta option and -decoy-pattern to set the Fasta file and decoy pattern"/> |
150 <param name="param_generic_feature_set" display="radio" type="boolean" truevalue="-generic-feature-set" falsevalue="" checked="false" optional="True" label="Use only generic (i.e" help="(-generic-feature-set) not search engine specific) features. Generating search engine specific features for common search engines by PSMFeatureExtractor will typically boost the identification rate significantly"/> | 134 <param name="osw_level" argument="-osw_level" type="text" optional="true" value="ms2" label="OSW: Either "ms1", "ms2" or "transition"; the data level selected for scoring" help=""> |
151 <param name="param_subset_max_train" type="integer" value="0" label="Only train an SVM on a subset of <x> PSMs, and use the resulting score vector to evaluate the other PSMs" help="(-subset-max-train) Recommended when analyzing huge numbers (>1 million) of PSMs. When set to 0, all PSMs are used for training as normal"/> | 135 <expand macro="list_string_san"/> |
152 <param name="param_cpos" type="float" value="0.0" label="Cpos, penalty for mistakes made on positive examples" help="(-cpos) Set by cross validation if not specified"/> | 136 </param> |
153 <param name="param_cneg" type="float" value="0.0" label="Cneg, penalty for mistakes made on negative examples" help="(-cneg) Set by cross validation if not specified"/> | 137 <param name="score_type" argument="-score_type" display="radio" type="select" optional="false" label="Type of the peptide main score" help=""> |
154 <param name="param_testFDR" type="float" value="0.01" label="False discovery rate threshold for evaluating best cross validation result and the reported end result" help="(-testFDR) "/> | 138 <option value="q-value" selected="true">q-value</option> |
155 <param name="param_trainFDR" type="float" value="0.01" label="False discovery rate threshold to define positive examples in training" help="(-trainFDR) Set to testFDR if 0"/> | 139 <option value="pep">pep</option> |
156 <param name="param_maxiter" type="integer" value="10" label="Maximal number of iterations" help="(-maxiter) "/> | 140 <option value="svm">svm</option> |
157 <param name="param_quick_validation" display="radio" type="boolean" truevalue="-quick-validation" falsevalue="" checked="false" optional="True" label="Quicker execution by reduced internal cross-validation" help="(-quick-validation) "/> | 141 <expand macro="list_string_san"/> |
158 <param name="param_init_weights" type="data" format="txt" label="Read initial weights to the given file" help="(-init-weights) "/> | 142 </param> |
159 <param name="param_default_direction" type="text" size="30" label="The most informative feature given as the feature name, can be negated to indicate that a lower value is bette" help="(-default-direction) "> | 143 <expand macro="adv_opts_macro"> |
160 <sanitizer> | 144 <param name="generic_feature_set" argument="-generic-feature-set" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Use only generic" help="(i.e. not search engine specific) features. Generating search engine specific features for common search engines by PSMFeatureExtractor will typically boost the identification rate significantly"/> |
161 <valid initial="string.printable"> | 145 <param name="subset_max_train" argument="-subset-max-train" type="integer" optional="true" value="0" label="Only train an SVM on a subset of <x> PSMs, and use the resulting score vector to evaluate the other PSMs" help="Recommended when analyzing huge numbers (>1 million) of PSMs. When set to 0, all PSMs are used for training as normal"/> |
162 <remove value="'"/> | 146 <param name="cpos" argument="-cpos" type="float" optional="true" value="0.0" label="Cpos, penalty for mistakes made on positive examples" help="Set by cross validation if not specified"/> |
163 <remove value="""/> | 147 <param name="cneg" argument="-cneg" type="float" optional="true" value="0.0" label="Cneg, penalty for mistakes made on negative examples" help="Set by cross validation if not specified"/> |
164 </valid> | 148 <param name="testFDR" argument="-testFDR" type="float" optional="true" value="0.01" label="False discovery rate threshold for evaluating best cross validation result and the reported end result" help=""/> |
165 </sanitizer> | 149 <param name="trainFDR" argument="-trainFDR" type="float" optional="true" value="0.01" label="False discovery rate threshold to define positive examples in training" help="Set to testFDR if 0"/> |
150 <param name="maxiter" argument="-maxiter" type="integer" optional="true" value="10" label="Maximal number of iterations" help=""/> | |
151 <param name="quick_validation" argument="-quick-validation" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Quicker execution by reduced internal cross-validation" help=""/> | |
152 <param name="init_weights" argument="-init-weights" type="data" format="txt" optional="true" label="Read initial weights to the given file" help=" select txt data sets(s)"/> | |
153 <param name="default_direction" argument="-default-direction" type="text" optional="true" value="" label="The most informative feature given as the feature name, can be negated to indicate that a lower value is bette" help=""> | |
154 <expand macro="list_string_san"/> | |
166 </param> | 155 </param> |
167 <param name="param_verbose" type="integer" value="2" label="Set verbosity of output: 0=no processing info, 5=all" help="(-verbose) "/> | 156 <param name="verbose" argument="-verbose" type="integer" optional="true" value="2" label="Set verbosity of output: 0=no processing info, 5=all" help=""/> |
168 <param name="param_unitnorm" display="radio" type="boolean" truevalue="-unitnorm" falsevalue="" checked="false" optional="True" label="Use unit normalization [0-1] instead of standard deviation normalization" help="(-unitnorm) "/> | 157 <param name="unitnorm" argument="-unitnorm" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Use unit normalization [0-1] instead of standard deviation normalization" help=""/> |
169 <param name="param_test_each_iteration" display="radio" type="boolean" truevalue="-test-each-iteration" falsevalue="" checked="false" optional="True" label="Measure performance on test set each iteration" help="(-test-each-iteration) "/> | 158 <param name="test_each_iteration" argument="-test-each-iteration" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Measure performance on test set each iteration" help=""/> |
170 <param name="param_override" display="radio" type="boolean" truevalue="-override" falsevalue="" checked="false" optional="True" label="Override error check and do not fall back on default score vector in case of suspect score vecto" help="(-override) "/> | 159 <param name="override" argument="-override" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Override error check and do not fall back on default score vector in case of suspect score vecto" help=""/> |
171 <param name="param_seed" type="integer" value="1" label="Setting seed of the random number generato" help="(-seed) "/> | 160 <param name="seed" argument="-seed" type="integer" optional="true" value="1" label="Setting seed of the random number generato" help=""/> |
172 <param name="param_doc" type="integer" value="0" label="Include description of correct features" help="(-doc) "/> | 161 <param name="doc" argument="-doc" type="integer" optional="true" value="0" label="Include description of correct features" help=""/> |
173 <param name="param_klammer" display="radio" type="boolean" truevalue="-klammer" falsevalue="" checked="false" optional="True" label="Retention time features calculated as in Klammer et al" help="(-klammer) Only available if -doc is set"/> | 162 <param name="klammer" argument="-klammer" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Retention time features calculated as in Klammer et al" help="Only available if -doc is set"/> |
174 <param name="param_fasta" type="data" format="fasta" optional="True" label="Provide the fasta file as the argument to this flag, which will be used for protein grouping based on an in-silico digest (only valid if option -protein-level-fdrs is active)" help="(-fasta) "/> | 163 <param name="fasta" argument="-fasta" type="data" format="fasta" optional="true" label="Provide the fasta file as the argument to this flag, which will be used for protein grouping based on an in-silico digest (only valid if option -protein-level-fdrs is active)" help=" select fasta data sets(s)"/> |
175 <param name="param_decoy_pattern" type="text" size="30" value="random" label="Define the text pattern to identify the decoy proteins and/or PSMs, set this up if the label that identifies the decoys in the database is not the default (Only valid if option -protein-level-fdrs is active)" help="(-decoy-pattern) "> | 164 <param name="decoy_pattern" argument="-decoy-pattern" type="text" optional="true" value="random" label="Define the text pattern to identify the decoy proteins and/or PSMs, set this up if the label that identifies the decoys in the database is not the default (Only valid if option -protein-level-fdrs is active)" help=""> |
176 <sanitizer> | 165 <expand macro="list_string_san"/> |
177 <valid initial="string.printable"> | |
178 <remove value="'"/> | |
179 <remove value="""/> | |
180 </valid> | |
181 </sanitizer> | |
182 </param> | 166 </param> |
183 <param name="param_post_processing_tdc" display="radio" type="boolean" truevalue="-post-processing-tdc" falsevalue="" checked="false" optional="True" label="Use target-decoy competition to assign q-values and PEPs" help="(-post-processing-tdc) "/> | 167 <param name="post_processing_tdc" argument="-post-processing-tdc" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Use target-decoy competition to assign q-values and PEPs" help=""/> |
184 <param name="param_force" display="radio" type="boolean" truevalue="-force" falsevalue="" checked="false" optional="True" label="Overwrite tool specific checks" help="(-force) "/> | 168 <param name="train_best_positive" argument="-train-best-positive" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Enforce that, for each spectrum, at most one PSM is included in the positive set during each training iteration" help="If the user only provides one PSM per spectrum, this filter will have no effect"/> |
169 <param name="ipf_max_peakgroup_pep" argument="-ipf_max_peakgroup_pep" type="float" optional="true" value="0.7" label="OSW/IPF: Assess transitions only for candidate peak groups until maximum posterior error probability" help=""/> | |
170 <param name="ipf_max_transition_isotope_overlap" argument="-ipf_max_transition_isotope_overlap" type="float" optional="true" value="0.5" label="OSW/IPF: Maximum isotope overlap to consider transitions in IPF" help=""/> | |
171 <param name="ipf_min_transition_sn" argument="-ipf_min_transition_sn" type="float" optional="true" value="0.0" label="OSW/IPF: Minimum log signal-to-noise level to consider transitions in IPF" help="Set -1 to disable this filter"/> | |
172 <param name="force" argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overwrite tool specific checks" help=""/> | |
173 <param name="test" argument="-test" type="hidden" optional="true" value="False" label="Enables the test mode (needed for internal use only)" help=""> | |
174 <expand macro="list_string_san"/> | |
175 </param> | |
185 </expand> | 176 </expand> |
177 <param name="OPTIONAL_OUTPUTS" type="select" multiple="true" label="Optional outputs" optional="true"> | |
178 <option value="out_pin_FLAG">out_pin (Enables the test mode (needed for internal use only))</option> | |
179 <option value="weights_FLAG">weights (Enables the test mode (needed for internal use only))</option> | |
180 <option value="ctd_out_FLAG">Output used ctd (ini) configuration file</option> | |
181 </param> | |
186 </inputs> | 182 </inputs> |
187 <outputs> | 183 <outputs> |
188 <data name="param_out" format="idxml"/> | 184 <data name="out" label="${tool.name} on ${on_string}: out"> |
189 <data name="param_mzid_out" format="mzid"/> | 185 <change_format> |
190 <data name="param_weights" format="data"/> | 186 <when input="out_type" value="idXML" format="idxml"/> |
187 <when input="out_type" value="mzid" format="mzid"/> | |
188 <when input="out_type" value="osw" format="osw"/> | |
189 </change_format> | |
190 </data> | |
191 <data name="out_pin" label="${tool.name} on ${on_string}: out_pin" format="tabular"> | |
192 <filter>OPTIONAL_OUTPUTS is not None and "out_pin_FLAG" in OPTIONAL_OUTPUTS</filter> | |
193 </data> | |
194 <data name="weights" label="${tool.name} on ${on_string}: weights" format="txt"> | |
195 <filter>OPTIONAL_OUTPUTS is not None and "weights_FLAG" in OPTIONAL_OUTPUTS</filter> | |
196 </data> | |
197 <data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd"> | |
198 <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter> | |
199 </data> | |
191 </outputs> | 200 </outputs> |
192 <help>Facilitate input to Percolator and reintegrate. | 201 <tests> |
193 | 202 <expand macro="autotest_PercolatorAdapter"/> |
194 | 203 <expand macro="manutest_PercolatorAdapter"/> |
195 For more information, visit https://abibuilder.informatik.uni-tuebingen.de/archive/openms/Documentation/release/2.3.0/html/TOPP_PercolatorAdapter.html</help> | 204 </tests> |
205 <help><![CDATA[Facilitate input to Percolator and reintegrate. | |
206 | |
207 | |
208 For more information, visit http://www.openms.de/documentation/TOPP_PercolatorAdapter.html]]></help> | |
209 <expand macro="references"/> | |
196 </tool> | 210 </tool> |