Mercurial > repos > galaxyp > openms_epifany
comparison Epifany.xml @ 4:f3096a586de8 draft default tip
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
author | galaxyp |
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date | Thu, 01 Dec 2022 19:13:55 +0000 |
parents | 16cdef222ea2 |
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3:c10dfb44cdf2 | 4:f3096a586de8 |
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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: [Utilities]--> | 3 <!--Proposed Tool Section: [Utilities]--> |
4 <tool id="Epifany" name="Epifany" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@" profile="20.05"> | 4 <tool id="Epifany" name="Epifany" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.05"> |
5 <description>Runs a Bayesian protein inference.</description> | 5 <description>Runs a Bayesian protein inference.</description> |
6 <macros> | 6 <macros> |
7 <token name="@EXECUTABLE@">Epifany</token> | 7 <token name="@EXECUTABLE@">Epifany</token> |
8 <import>macros.xml</import> | 8 <import>macros.xml</import> |
9 <import>macros_autotest.xml</import> | |
10 <import>macros_test.xml</import> | |
11 </macros> | 9 </macros> |
12 <expand macro="requirements"/> | 10 <expand macro="requirements"/> |
13 <expand macro="stdio"/> | 11 <expand macro="stdio"/> |
14 <command detect_errors="exit_code"><![CDATA[@QUOTE_FOO@ | 12 <command detect_errors="exit_code"><![CDATA[@QUOTE_FOO@ |
15 @EXT_FOO@ | 13 @EXT_FOO@ |
16 #import re | 14 #import re |
17 | 15 |
18 ## Preprocessing | 16 ## Preprocessing |
19 mkdir in && | 17 mkdir in_cond.in && |
20 ${ ' '.join(["ln -s '%s' 'in/%s.%s' &&" % (_, re.sub('[^\w\-_]', '_', _.element_identifier), $gxy2omsext(_.ext)) for _ in $in if _]) } | 18 #if $in_cond.in_select == "no" |
19 mkdir ${' '.join(["'in_cond.in/%s'" % (i) for i, f in enumerate($in_cond.in) if f])} && | |
20 ${' '.join(["ln -s '%s' 'in_cond.in/%s/%s.%s' && " % (f, i, re.sub('[^\w\-_]', '_', f.element_identifier), $gxy2omsext(f.ext)) for i, f in enumerate($in_cond.in) if f])} | |
21 #else | |
22 ln -s '$in_cond.in' 'in_cond.in/${re.sub("[^\w\-_]", "_", $in_cond.in.element_identifier)}.$gxy2omsext($in_cond.in.ext)' && | |
23 #end if | |
21 #if $exp_design: | 24 #if $exp_design: |
22 mkdir exp_design && | 25 mkdir exp_design && |
23 ln -s '$exp_design' 'exp_design/${re.sub("[^\w\-_]", "_", $exp_design.element_identifier)}.$gxy2omsext($exp_design.ext)' && | 26 ln -s '$exp_design' 'exp_design/${re.sub("[^\w\-_]", "_", $exp_design.element_identifier)}.$gxy2omsext($exp_design.ext)' && |
24 #end if | 27 #end if |
25 mkdir out && | 28 mkdir out && |
29 set -o pipefail && | 32 set -o pipefail && |
30 @EXECUTABLE@ -write_ctd ./ && | 33 @EXECUTABLE@ -write_ctd ./ && |
31 python3 '$__tool_directory__/fill_ctd.py' '@EXECUTABLE@.ctd' '$args_json' '$hardcoded_json' && | 34 python3 '$__tool_directory__/fill_ctd.py' '@EXECUTABLE@.ctd' '$args_json' '$hardcoded_json' && |
32 @EXECUTABLE@ -ini @EXECUTABLE@.ctd | 35 @EXECUTABLE@ -ini @EXECUTABLE@.ctd |
33 -in | 36 -in |
34 ${' '.join(["'in/%s.%s'"%(re.sub('[^\w\-_]', '_', _.element_identifier), $gxy2omsext(_.ext)) for _ in $in if _])} | 37 #if $in_cond.in_select == "no" |
38 ${' '.join(["'in_cond.in/%s/%s.%s'"%(i, re.sub('[^\w\-_]', '_', f.element_identifier), $gxy2omsext(f.ext)) for i, f in enumerate($in_cond.in) if f])} | |
39 #else | |
40 'in_cond.in/${re.sub("[^\w\-_]", "_", $in_cond.in.element_identifier)}.$gxy2omsext($in_cond.in.ext)' | |
41 #end if | |
35 #if $exp_design: | 42 #if $exp_design: |
36 -exp_design | 43 -exp_design |
37 'exp_design/${re.sub("[^\w\-_]", "_", $exp_design.element_identifier)}.$gxy2omsext($exp_design.ext)' | 44 'exp_design/${re.sub("[^\w\-_]", "_", $exp_design.element_identifier)}.$gxy2omsext($exp_design.ext)' |
38 #end if | 45 #end if |
39 -out | 46 -out |
47 <configfiles> | 54 <configfiles> |
48 <inputs name="args_json" data_style="paths"/> | 55 <inputs name="args_json" data_style="paths"/> |
49 <configfile name="hardcoded_json"><![CDATA[{"log": "log.txt", "threads": "\${GALAXY_SLOTS:-1}", "no_progress": true}]]></configfile> | 56 <configfile name="hardcoded_json"><![CDATA[{"log": "log.txt", "threads": "\${GALAXY_SLOTS:-1}", "no_progress": true}]]></configfile> |
50 </configfiles> | 57 </configfiles> |
51 <inputs> | 58 <inputs> |
52 <param name="in" argument="-in" type="data" format="consensusxml,idxml" multiple="true" optional="false" label="Input: identification results" help=" select consensusxml,idxml data sets(s)"/> | 59 <conditional name="in_cond"> |
53 <param name="exp_design" argument="-exp_design" type="data" format="tabular" optional="true" label="(Currently unused) Input: experimental design" help=" select tabular data sets(s)"/> | 60 <param name="in_select" type="select" label="Run tool in batch mode for -in"> |
54 <param name="out_type" argument="-out_type" display="radio" type="select" optional="false" label="Output type: auto detected by file extension but can be overwritten here" help=""> | 61 <option value="no">No: process all datasets jointly</option> |
62 <option value="yes">Yes: process each dataset in an independent job</option> | |
63 </param> | |
64 <when value="no"> | |
65 <param argument="-in" type="data" format="consensusxml,idxml" multiple="true" optional="false" label="Input: identification results" help=" select consensusxml,idxml data sets(s)"/> | |
66 </when> | |
67 <when value="yes"> | |
68 <param argument="-in" type="data" format="consensusxml,idxml" multiple="false" optional="false" label="Input: identification results" help=" select consensusxml,idxml data sets(s)"/> | |
69 </when> | |
70 </conditional> | |
71 <param argument="-exp_design" type="data" format="tabular" optional="true" label="(Currently unused) Input: experimental design" help=" select tabular data sets(s)"/> | |
72 <param argument="-out_type" display="radio" type="select" optional="false" label="Output type: auto detected by file extension but can be overwritten here" help=""> | |
55 <option value="consensusXML">consensusxml</option> | 73 <option value="consensusXML">consensusxml</option> |
56 <option value="idXML">idxml</option> | 74 <option value="idXML">idxml</option> |
57 <expand macro="list_string_san"/> | 75 <expand macro="list_string_san" name="out_type"/> |
58 </param> | 76 </param> |
59 <param name="protein_fdr" argument="-protein_fdr" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Additionally calculate the target-decoy FDR on protein-level based on the posteriors" help=""/> | 77 <param argument="-protein_fdr" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Additionally calculate the target-decoy FDR on protein-level based on the posteriors" help=""/> |
60 <param name="greedy_group_resolution" argument="-greedy_group_resolution" display="radio" type="select" optional="false" label="Post-process inference output with greedy resolution of shared peptides based on the parent protein probabilities" help="Also adds the resolved ambiguity groups to output"> | 78 <param argument="-greedy_group_resolution" type="select" optional="true" label="Post-process inference output with greedy resolution of shared peptides based on the parent protein probabilities" help="Also adds the resolved ambiguity groups to output"> |
61 <option value="none" selected="true">none</option> | 79 <option value="none" selected="true">none</option> |
62 <option value="remove_associations_only">remove_associations_only</option> | 80 <option value="remove_associations_only">remove_associations_only</option> |
63 <option value="remove_proteins_wo_evidence">remove_proteins_wo_evidence</option> | 81 <option value="remove_proteins_wo_evidence">remove_proteins_wo_evidence</option> |
64 <expand macro="list_string_san"/> | 82 <expand macro="list_string_san" name="greedy_group_resolution"/> |
65 </param> | 83 </param> |
66 <param name="max_psms_extreme_probability" argument="-max_psms_extreme_probability" type="float" optional="true" value="1.0" label="Set PSMs with probability higher than this to this maximum probability" help=""/> | 84 <param argument="-max_psms_extreme_probability" type="float" optional="true" value="1.0" label="Set PSMs with probability higher than this to this maximum probability" help=""/> |
67 <section name="algorithm" title="Parameters for the Algorithm section" help="" expanded="false"> | 85 <section name="algorithm" title="Parameters for the Algorithm section" help="" expanded="false"> |
68 <param name="psm_probability_cutoff" argument="-algorithm:psm_probability_cutoff" type="float" optional="true" min="0.0" max="1.0" value="0.001" label="Remove PSMs with probabilities less than this cutoff" help=""/> | 86 <param name="psm_probability_cutoff" argument="-algorithm:psm_probability_cutoff" type="float" optional="true" min="0.0" max="1.0" value="0.001" label="Remove PSMs with probabilities less than this cutoff" help=""/> |
69 <param name="top_PSMs" argument="-algorithm:top_PSMs" type="integer" optional="true" min="0" value="1" label="Consider only top X PSMs per spectrum" help="0 considers all"/> | 87 <param name="top_PSMs" argument="-algorithm:top_PSMs" type="integer" optional="true" min="0" value="1" label="Consider only top X PSMs per spectrum" help="0 considers all"/> |
70 <param name="keep_best_PSM_only" argument="-algorithm:keep_best_PSM_only" type="boolean" truevalue="true" falsevalue="false" checked="true" label="Epifany uses the best PSM per peptide for inference" help="Discard the rest (true) or keepe.g. for quantification/reporting?"/> | 88 <param name="keep_best_PSM_only" argument="-algorithm:keep_best_PSM_only" type="boolean" truevalue="true" falsevalue="false" checked="true" label="Epifany uses the best PSM per peptide for inference" help="Discard the rest (true) or keepe.g. for quantification/reporting?"/> |
71 <param name="update_PSM_probabilities" argument="-algorithm:update_PSM_probabilities" type="boolean" truevalue="true" falsevalue="false" checked="true" label="(Experimental:) Update PSM probabilities with their posteriors under consideration of the protein probabilities" help=""/> | 89 <param name="update_PSM_probabilities" argument="-algorithm:update_PSM_probabilities" type="boolean" truevalue="true" falsevalue="false" checked="true" label="(Experimental:) Update PSM probabilities with their posteriors under consideration of the protein probabilities" help=""/> |
79 <param name="pep_prior" argument="-algorithm:model_parameters:pep_prior" type="float" optional="true" min="0.0" max="1.0" value="0.1" label="Peptide prior probability (experimental, should be covered by combinations of the other params)" help=""/> | 97 <param name="pep_prior" argument="-algorithm:model_parameters:pep_prior" type="float" optional="true" min="0.0" max="1.0" value="0.1" label="Peptide prior probability (experimental, should be covered by combinations of the other params)" help=""/> |
80 <param name="regularize" argument="-algorithm:model_parameters:regularize" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Regularize the number of proteins that produce a peptide together (experimental, should be activated when using higher p-norms)" help=""/> | 98 <param name="regularize" argument="-algorithm:model_parameters:regularize" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Regularize the number of proteins that produce a peptide together (experimental, should be activated when using higher p-norms)" help=""/> |
81 <param name="extended_model" argument="-algorithm:model_parameters:extended_model" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Uses information from different peptidoforms also across runs (automatically activated if an experimental design is given!)" help=""/> | 99 <param name="extended_model" argument="-algorithm:model_parameters:extended_model" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Uses information from different peptidoforms also across runs (automatically activated if an experimental design is given!)" help=""/> |
82 </section> | 100 </section> |
83 <section name="loopy_belief_propagation" title="Settings for the loopy belief propagation algorithm" help="" expanded="false"> | 101 <section name="loopy_belief_propagation" title="Settings for the loopy belief propagation algorithm" help="" expanded="false"> |
84 <param name="scheduling_type" argument="-algorithm:loopy_belief_propagation:scheduling_type" display="radio" type="select" optional="false" label="(Not used yet) How to pick the next message: priority = based on difference to last message (higher = more important)" help="fifo = first in first out. subtree = message passing follows a random spanning tree in each iteration"> | 102 <param name="scheduling_type" argument="-algorithm:loopy_belief_propagation:scheduling_type" type="select" optional="true" label="(Not used yet) How to pick the next message: priority = based on difference to last message (higher = more important)" help="fifo = first in first out. subtree = message passing follows a random spanning tree in each iteration"> |
85 <option value="priority" selected="true">priority</option> | 103 <option value="priority" selected="true">priority</option> |
86 <option value="fifo">fifo</option> | 104 <option value="fifo">fifo</option> |
87 <option value="subtree">subtree</option> | 105 <option value="subtree">subtree</option> |
88 <expand macro="list_string_san"/> | 106 <expand macro="list_string_san" name="scheduling_type"/> |
89 </param> | 107 </param> |
90 <param name="convergence_threshold" argument="-algorithm:loopy_belief_propagation:convergence_threshold" type="float" optional="true" min="1e-09" max="1.0" value="1e-05" label="Initial threshold under which MSE difference a message is considered to be converged" help=""/> | 108 <param name="convergence_threshold" argument="-algorithm:loopy_belief_propagation:convergence_threshold" type="float" optional="true" min="0.0" max="1.0" value="1e-05" label="Initial threshold under which MSE difference a message is considered to be converged" help=""/> |
91 <param name="dampening_lambda" argument="-algorithm:loopy_belief_propagation:dampening_lambda" type="float" optional="true" min="0.0" max="0.49999" value="0.001" label="Initial value for how strongly should messages be updated in each step" help="0 = new message overwrites old completely (no dampening; only recommended for trees),0.5 = equal contribution of old and new message (stay below that),In-between it will be a convex combination of both. Prevents oscillations but hinders convergence"/> | 109 <param name="dampening_lambda" argument="-algorithm:loopy_belief_propagation:dampening_lambda" type="float" optional="true" min="0.0" max="0.49999" value="0.001" label="Initial value for how strongly should messages be updated in each step" help="0 = new message overwrites old completely (no dampening; only recommended for trees),0.5 = equal contribution of old and new message (stay below that),In-between it will be a convex combination of both. Prevents oscillations but hinders convergence"/> |
92 <param name="max_nr_iterations" argument="-algorithm:loopy_belief_propagation:max_nr_iterations" type="integer" optional="true" value="2147483647" label="(Usually auto-determined by estimated but you can set a hard limit here)" help="If not all messages converge, how many iterations should be done at max per connected component?"/> | 110 <param name="max_nr_iterations" argument="-algorithm:loopy_belief_propagation:max_nr_iterations" type="integer" optional="true" value="2147483647" label="(Usually auto-determined by estimated but you can set a hard limit here)" help="If not all messages converge, how many iterations should be done at max per connected component?"/> |
93 <param name="p_norm_inference" argument="-algorithm:loopy_belief_propagation:p_norm_inference" type="float" optional="true" value="1.0" label="P-norm used for marginalization of multidimensional factors" help="1 == sum-product inference (all configurations vote equally) (default),<= 0 == infinity = max-product inference (only best configurations propagate)The higher the value the more important high probability configurations get"/> | 111 <param name="p_norm_inference" argument="-algorithm:loopy_belief_propagation:p_norm_inference" type="float" optional="true" value="1.0" label="P-norm used for marginalization of multidimensional factors" help="1 == sum-product inference (all configurations vote equally) (default),<= 0 == infinity = max-product inference (only best configurations propagate)The higher the value the more important high probability configurations get"/> |
94 </section> | 112 </section> |
95 <section name="param_optimize" title="Settings for the parameter optimization" help="" expanded="false"> | 113 <section name="param_optimize" title="Settings for the parameter optimization" help="" expanded="false"> |
97 <param name="conservative_fdr" argument="-algorithm:param_optimize:conservative_fdr" type="boolean" truevalue="true" falsevalue="false" checked="true" label="Use (D+1)/(T) instead of (D+1)/(T+D) for parameter estimation" help=""/> | 115 <param name="conservative_fdr" argument="-algorithm:param_optimize:conservative_fdr" type="boolean" truevalue="true" falsevalue="false" checked="true" label="Use (D+1)/(T) instead of (D+1)/(T+D) for parameter estimation" help=""/> |
98 <param name="regularized_fdr" argument="-algorithm:param_optimize:regularized_fdr" type="boolean" truevalue="true" falsevalue="false" checked="true" label="Use a regularized FDR for proteins without unique peptides" help=""/> | 116 <param name="regularized_fdr" argument="-algorithm:param_optimize:regularized_fdr" type="boolean" truevalue="true" falsevalue="false" checked="true" label="Use a regularized FDR for proteins without unique peptides" help=""/> |
99 </section> | 117 </section> |
100 </section> | 118 </section> |
101 <expand macro="adv_opts_macro"> | 119 <expand macro="adv_opts_macro"> |
102 <param name="conservative_fdr" argument="-conservative_fdr" type="boolean" truevalue="true" falsevalue="false" checked="true" label="Use (D+1)/(T) instead of (D+1)/(T+D) for reporting protein FDRs" help=""/> | 120 <param argument="-conservative_fdr" type="boolean" truevalue="true" falsevalue="false" checked="true" label="Use (D+1)/(T) instead of (D+1)/(T+D) for reporting protein FDRs" help=""/> |
103 <param name="min_psms_extreme_probability" argument="-min_psms_extreme_probability" type="float" optional="true" value="0.0" label="Set PSMs with probability lower than this to this minimum probability" help=""/> | 121 <param argument="-picked_fdr" type="boolean" truevalue="true" falsevalue="false" checked="true" label="Use picked protein FDRs" help=""/> |
104 <param name="force" argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overrides tool-specific checks" help=""/> | 122 <param argument="-picked_decoy_string" type="text" optional="true" value="" label="If using picked protein FDRs, which decoy string was used" help="Leave blank for auto-detection"> |
105 <param name="test" argument="-test" type="hidden" optional="true" value="False" label="Enables the test mode (needed for internal use only)" help=""> | 123 <expand macro="list_string_san" name="picked_decoy_string"/> |
106 <expand macro="list_string_san"/> | 124 </param> |
125 <param argument="-picked_decoy_prefix" type="select" optional="true" label="If using picked protein FDRs, was the decoy string a prefix or suffix" help="Ignored during auto-detection"> | |
126 <option value="prefix" selected="true">prefix</option> | |
127 <option value="suffix">suffix</option> | |
128 <expand macro="list_string_san" name="picked_decoy_prefix"/> | |
129 </param> | |
130 <param argument="-min_psms_extreme_probability" type="float" optional="true" value="0.0" label="Set PSMs with probability lower than this to this minimum probability" help=""/> | |
131 <param argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overrides tool-specific checks" help=""/> | |
132 <param argument="-test" type="hidden" optional="true" value="False" label="Enables the test mode (needed for internal use only)" help=""> | |
133 <expand macro="list_string_san" name="test"/> | |
107 </param> | 134 </param> |
108 </expand> | 135 </expand> |
109 <param name="OPTIONAL_OUTPUTS" type="select" optional="true" multiple="true" label="Optional outputs"> | 136 <param name="OPTIONAL_OUTPUTS" type="select" optional="true" multiple="true" label="Optional outputs"> |
110 <option value="ctd_out_FLAG">Output used ctd (ini) configuration file</option> | 137 <option value="ctd_out_FLAG">Output used ctd (ini) configuration file</option> |
111 </param> | 138 </param> |
112 </inputs> | 139 </inputs> |
113 <outputs> | 140 <outputs> |
114 <data name="out" label="${tool.name} on ${on_string}: out"> | 141 <data name="out" label="${tool.name} on ${on_string}: out" format="consensusxml"> |
115 <change_format> | 142 <change_format> |
116 <when input="out_type" value="consensusXML" format="consensusxml"/> | |
117 <when input="out_type" value="idXML" format="idxml"/> | 143 <when input="out_type" value="idXML" format="idxml"/> |
118 </change_format> | 144 </change_format> |
119 </data> | 145 </data> |
120 <data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd"> | 146 <data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd"> |
121 <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter> | 147 <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter> |
122 </data> | 148 </data> |
123 </outputs> | 149 </outputs> |
124 <tests> | 150 <tests><!-- UTILS_Epifany_1 --> |
125 <expand macro="autotest_Epifany"/> | 151 <test expect_num_outputs="2"> |
126 <expand macro="manutest_Epifany"/> | 152 <section name="adv_opts"> |
153 <param name="conservative_fdr" value="true"/> | |
154 <param name="picked_fdr" value="true"/> | |
155 <param name="picked_decoy_string" value=""/> | |
156 <param name="picked_decoy_prefix" value="prefix"/> | |
157 <param name="min_psms_extreme_probability" value="0.0"/> | |
158 <param name="force" value="false"/> | |
159 <param name="test" value="true"/> | |
160 </section> | |
161 <conditional name="in_cond"> | |
162 <param name="in" value="FidoAdapter_1_input.idXML"/> | |
163 </conditional> | |
164 <output name="out" file="Epifany_1_out.idXML" compare="sim_size" delta_frac="0.7" ftype="idxml"/> | |
165 <param name="out_type" value="idXML"/> | |
166 <param name="protein_fdr" value="false"/> | |
167 <param name="greedy_group_resolution" value="none"/> | |
168 <param name="max_psms_extreme_probability" value="1.0"/> | |
169 <section name="algorithm"> | |
170 <param name="psm_probability_cutoff" value="0.001"/> | |
171 <param name="top_PSMs" value="1"/> | |
172 <param name="keep_best_PSM_only" value="true"/> | |
173 <param name="update_PSM_probabilities" value="true"/> | |
174 <param name="user_defined_priors" value="false"/> | |
175 <param name="annotate_group_probabilities" value="true"/> | |
176 <param name="use_ids_outside_features" value="false"/> | |
177 <section name="model_parameters"> | |
178 <param name="prot_prior" value="0.7"/> | |
179 <param name="pep_emission" value="0.1"/> | |
180 <param name="pep_spurious_emission" value="0.001"/> | |
181 <param name="pep_prior" value="0.1"/> | |
182 <param name="regularize" value="false"/> | |
183 <param name="extended_model" value="false"/> | |
184 </section> | |
185 <section name="loopy_belief_propagation"> | |
186 <param name="scheduling_type" value="priority"/> | |
187 <param name="convergence_threshold" value="1e-05"/> | |
188 <param name="dampening_lambda" value="0.001"/> | |
189 <param name="max_nr_iterations" value="2147483647"/> | |
190 <param name="p_norm_inference" value="1.0"/> | |
191 </section> | |
192 <section name="param_optimize"> | |
193 <param name="aucweight" value="0.3"/> | |
194 <param name="conservative_fdr" value="true"/> | |
195 <param name="regularized_fdr" value="true"/> | |
196 </section> | |
197 </section> | |
198 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
199 <output name="ctd_out" ftype="xml"> | |
200 <assert_contents> | |
201 <is_valid_xml/> | |
202 </assert_contents> | |
203 </output> | |
204 </test> | |
205 <!-- UTILS_Epifany_2 --> | |
206 <test expect_num_outputs="2"> | |
207 <section name="adv_opts"> | |
208 <param name="conservative_fdr" value="true"/> | |
209 <param name="picked_fdr" value="true"/> | |
210 <param name="picked_decoy_string" value=""/> | |
211 <param name="picked_decoy_prefix" value="prefix"/> | |
212 <param name="min_psms_extreme_probability" value="0.0"/> | |
213 <param name="force" value="false"/> | |
214 <param name="test" value="true"/> | |
215 </section> | |
216 <conditional name="in_cond"> | |
217 <param name="in" value="Epifany_2_input.consensusXML"/> | |
218 </conditional> | |
219 <output name="out" file="Epifany_2_out.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> | |
220 <param name="out_type" value="consensusXML"/> | |
221 <param name="protein_fdr" value="false"/> | |
222 <param name="greedy_group_resolution" value="none"/> | |
223 <param name="max_psms_extreme_probability" value="1.0"/> | |
224 <section name="algorithm"> | |
225 <param name="psm_probability_cutoff" value="0.001"/> | |
226 <param name="top_PSMs" value="1"/> | |
227 <param name="keep_best_PSM_only" value="true"/> | |
228 <param name="update_PSM_probabilities" value="true"/> | |
229 <param name="user_defined_priors" value="false"/> | |
230 <param name="annotate_group_probabilities" value="true"/> | |
231 <param name="use_ids_outside_features" value="false"/> | |
232 <section name="model_parameters"> | |
233 <param name="prot_prior" value="0.7"/> | |
234 <param name="pep_emission" value="0.1"/> | |
235 <param name="pep_spurious_emission" value="0.001"/> | |
236 <param name="pep_prior" value="0.1"/> | |
237 <param name="regularize" value="false"/> | |
238 <param name="extended_model" value="false"/> | |
239 </section> | |
240 <section name="loopy_belief_propagation"> | |
241 <param name="scheduling_type" value="priority"/> | |
242 <param name="convergence_threshold" value="1e-05"/> | |
243 <param name="dampening_lambda" value="0.001"/> | |
244 <param name="max_nr_iterations" value="2147483647"/> | |
245 <param name="p_norm_inference" value="1.0"/> | |
246 </section> | |
247 <section name="param_optimize"> | |
248 <param name="aucweight" value="0.3"/> | |
249 <param name="conservative_fdr" value="true"/> | |
250 <param name="regularized_fdr" value="true"/> | |
251 </section> | |
252 </section> | |
253 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
254 <output name="ctd_out" ftype="xml"> | |
255 <assert_contents> | |
256 <is_valid_xml/> | |
257 </assert_contents> | |
258 </output> | |
259 </test> | |
260 <!-- UTILS_Epifany_3 --> | |
261 <test expect_num_outputs="2"> | |
262 <section name="adv_opts"> | |
263 <param name="conservative_fdr" value="true"/> | |
264 <param name="picked_fdr" value="true"/> | |
265 <param name="picked_decoy_string" value=""/> | |
266 <param name="picked_decoy_prefix" value="prefix"/> | |
267 <param name="min_psms_extreme_probability" value="0.0"/> | |
268 <param name="force" value="false"/> | |
269 <param name="test" value="true"/> | |
270 </section> | |
271 <conditional name="in_cond"> | |
272 <param name="in" value="Epifany_2_input.consensusXML"/> | |
273 </conditional> | |
274 <output name="out" file="Epifany_3_out.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> | |
275 <param name="out_type" value="consensusXML"/> | |
276 <param name="protein_fdr" value="false"/> | |
277 <param name="greedy_group_resolution" value="none"/> | |
278 <param name="max_psms_extreme_probability" value="1.0"/> | |
279 <section name="algorithm"> | |
280 <param name="psm_probability_cutoff" value="0.001"/> | |
281 <param name="top_PSMs" value="1"/> | |
282 <param name="keep_best_PSM_only" value="false"/> | |
283 <param name="update_PSM_probabilities" value="true"/> | |
284 <param name="user_defined_priors" value="false"/> | |
285 <param name="annotate_group_probabilities" value="true"/> | |
286 <param name="use_ids_outside_features" value="false"/> | |
287 <section name="model_parameters"> | |
288 <param name="prot_prior" value="0.7"/> | |
289 <param name="pep_emission" value="0.1"/> | |
290 <param name="pep_spurious_emission" value="0.001"/> | |
291 <param name="pep_prior" value="0.1"/> | |
292 <param name="regularize" value="false"/> | |
293 <param name="extended_model" value="false"/> | |
294 </section> | |
295 <section name="loopy_belief_propagation"> | |
296 <param name="scheduling_type" value="priority"/> | |
297 <param name="convergence_threshold" value="1e-05"/> | |
298 <param name="dampening_lambda" value="0.001"/> | |
299 <param name="max_nr_iterations" value="2147483647"/> | |
300 <param name="p_norm_inference" value="1.0"/> | |
301 </section> | |
302 <section name="param_optimize"> | |
303 <param name="aucweight" value="0.3"/> | |
304 <param name="conservative_fdr" value="true"/> | |
305 <param name="regularized_fdr" value="true"/> | |
306 </section> | |
307 </section> | |
308 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
309 <output name="ctd_out" ftype="xml"> | |
310 <assert_contents> | |
311 <is_valid_xml/> | |
312 </assert_contents> | |
313 </output> | |
314 </test> | |
315 <!-- UTILS_Epifany_4 --> | |
316 <test expect_num_outputs="2"> | |
317 <section name="adv_opts"> | |
318 <param name="conservative_fdr" value="true"/> | |
319 <param name="picked_fdr" value="true"/> | |
320 <param name="picked_decoy_string" value=""/> | |
321 <param name="picked_decoy_prefix" value="prefix"/> | |
322 <param name="min_psms_extreme_probability" value="0.0"/> | |
323 <param name="force" value="false"/> | |
324 <param name="test" value="true"/> | |
325 </section> | |
326 <conditional name="in_cond"> | |
327 <param name="in" value="FidoAdapter_1_input_singlerun.idXML"/> | |
328 </conditional> | |
329 <output name="out" file="Epifany_4_out_singlerun.idXML" compare="sim_size" delta_frac="0.7" ftype="idxml"/> | |
330 <param name="out_type" value="idXML"/> | |
331 <param name="protein_fdr" value="false"/> | |
332 <param name="greedy_group_resolution" value="remove_proteins_wo_evidence"/> | |
333 <param name="max_psms_extreme_probability" value="1.0"/> | |
334 <section name="algorithm"> | |
335 <param name="psm_probability_cutoff" value="0.001"/> | |
336 <param name="top_PSMs" value="1"/> | |
337 <param name="keep_best_PSM_only" value="true"/> | |
338 <param name="update_PSM_probabilities" value="true"/> | |
339 <param name="user_defined_priors" value="false"/> | |
340 <param name="annotate_group_probabilities" value="true"/> | |
341 <param name="use_ids_outside_features" value="false"/> | |
342 <section name="model_parameters"> | |
343 <param name="prot_prior" value="0.7"/> | |
344 <param name="pep_emission" value="0.1"/> | |
345 <param name="pep_spurious_emission" value="0.001"/> | |
346 <param name="pep_prior" value="0.1"/> | |
347 <param name="regularize" value="false"/> | |
348 <param name="extended_model" value="false"/> | |
349 </section> | |
350 <section name="loopy_belief_propagation"> | |
351 <param name="scheduling_type" value="priority"/> | |
352 <param name="convergence_threshold" value="1e-05"/> | |
353 <param name="dampening_lambda" value="0.001"/> | |
354 <param name="max_nr_iterations" value="2147483647"/> | |
355 <param name="p_norm_inference" value="1.0"/> | |
356 </section> | |
357 <section name="param_optimize"> | |
358 <param name="aucweight" value="0.3"/> | |
359 <param name="conservative_fdr" value="true"/> | |
360 <param name="regularized_fdr" value="true"/> | |
361 </section> | |
362 </section> | |
363 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
364 <output name="ctd_out" ftype="xml"> | |
365 <assert_contents> | |
366 <is_valid_xml/> | |
367 </assert_contents> | |
368 </output> | |
369 </test> | |
370 <!-- UTILS_Epifany_5 --> | |
371 <test expect_num_outputs="2"> | |
372 <section name="adv_opts"> | |
373 <param name="conservative_fdr" value="true"/> | |
374 <param name="picked_fdr" value="false"/> | |
375 <param name="picked_decoy_string" value=""/> | |
376 <param name="picked_decoy_prefix" value="prefix"/> | |
377 <param name="min_psms_extreme_probability" value="0.0"/> | |
378 <param name="force" value="false"/> | |
379 <param name="test" value="true"/> | |
380 </section> | |
381 <conditional name="in_cond"> | |
382 <param name="in" value="FidoAdapter_1_input_singlerun.idXML"/> | |
383 </conditional> | |
384 <output name="out" file="Epifany_4_out_singlerun_fdr.idXML" compare="sim_size" delta_frac="0.7" ftype="idxml"/> | |
385 <param name="out_type" value="idXML"/> | |
386 <param name="protein_fdr" value="true"/> | |
387 <param name="greedy_group_resolution" value="remove_proteins_wo_evidence"/> | |
388 <param name="max_psms_extreme_probability" value="1.0"/> | |
389 <section name="algorithm"> | |
390 <param name="psm_probability_cutoff" value="0.001"/> | |
391 <param name="top_PSMs" value="1"/> | |
392 <param name="keep_best_PSM_only" value="true"/> | |
393 <param name="update_PSM_probabilities" value="true"/> | |
394 <param name="user_defined_priors" value="false"/> | |
395 <param name="annotate_group_probabilities" value="true"/> | |
396 <param name="use_ids_outside_features" value="false"/> | |
397 <section name="model_parameters"> | |
398 <param name="prot_prior" value="0.7"/> | |
399 <param name="pep_emission" value="0.1"/> | |
400 <param name="pep_spurious_emission" value="0.001"/> | |
401 <param name="pep_prior" value="0.1"/> | |
402 <param name="regularize" value="false"/> | |
403 <param name="extended_model" value="false"/> | |
404 </section> | |
405 <section name="loopy_belief_propagation"> | |
406 <param name="scheduling_type" value="priority"/> | |
407 <param name="convergence_threshold" value="1e-05"/> | |
408 <param name="dampening_lambda" value="0.001"/> | |
409 <param name="max_nr_iterations" value="2147483647"/> | |
410 <param name="p_norm_inference" value="1.0"/> | |
411 </section> | |
412 <section name="param_optimize"> | |
413 <param name="aucweight" value="0.3"/> | |
414 <param name="conservative_fdr" value="true"/> | |
415 <param name="regularized_fdr" value="true"/> | |
416 </section> | |
417 </section> | |
418 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
419 <output name="ctd_out" ftype="xml"> | |
420 <assert_contents> | |
421 <is_valid_xml/> | |
422 </assert_contents> | |
423 </output> | |
424 </test> | |
127 </tests> | 425 </tests> |
128 <help><![CDATA[Runs a Bayesian protein inference. | 426 <help><![CDATA[Runs a Bayesian protein inference. |
129 | 427 |
130 | 428 |
131 For more information, visit http://www.openms.de/doxygen/release/2.6.0/html/UTILS_Epifany.html]]></help> | 429 For more information, visit http://www.openms.de/doxygen/release/2.8.0/html/UTILS_Epifany.html]]></help> |
132 <expand macro="references"/> | 430 <expand macro="references"/> |
133 </tool> | 431 </tool> |