Mercurial > repos > galaxyp > openms_multiplexresolver
comparison MultiplexResolver.xml @ 14:53b202a738c3 draft default tip
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 5c080b1e2b99f1c88f4557e9fec8c45c9d23b906
author | galaxyp |
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date | Fri, 14 Jun 2024 21:32:24 +0000 |
parents | 021fdb80f204 |
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13:021fdb80f204 | 14:53b202a738c3 |
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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 CTDConverter.--> | 1 <!--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]--> | 2 <!--Proposed Tool Section: [Quantitation]--> |
4 <tool id="MultiplexResolver" name="MultiplexResolver" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.05"> | 3 <tool id="MultiplexResolver" name="MultiplexResolver" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.05"> |
5 <description>Completes peptide multiplets and resolves conflicts within them.</description> | 4 <description>Completes peptide multiplets and resolves conflicts within them</description> |
6 <macros> | 5 <macros> |
7 <token name="@EXECUTABLE@">MultiplexResolver</token> | 6 <token name="@EXECUTABLE@">MultiplexResolver</token> |
8 <import>macros.xml</import> | 7 <import>macros.xml</import> |
9 </macros> | 8 </macros> |
10 <expand macro="requirements"/> | 9 <expand macro="requirements"/> |
13 @EXT_FOO@ | 12 @EXT_FOO@ |
14 #import re | 13 #import re |
15 | 14 |
16 ## Preprocessing | 15 ## Preprocessing |
17 mkdir in && | 16 mkdir in && |
18 ln -s '$in' 'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)' && | 17 cp '$in' 'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)' && |
19 #if $in_blacklist: | 18 #if $in_blacklist: |
20 mkdir in_blacklist && | 19 mkdir in_blacklist && |
21 ln -s '$in_blacklist' 'in_blacklist/${re.sub("[^\w\-_]", "_", $in_blacklist.element_identifier)}.$gxy2omsext($in_blacklist.ext)' && | 20 cp '$in_blacklist' 'in_blacklist/${re.sub("[^\w\-_]", "_", $in_blacklist.element_identifier)}.$gxy2omsext($in_blacklist.ext)' && |
22 #end if | 21 #end if |
23 mkdir out && | 22 mkdir out && |
24 #if "out_conflicts_FLAG" in str($OPTIONAL_OUTPUTS).split(',') | 23 #if "out_conflicts_FLAG" in str($OPTIONAL_OUTPUTS).split(',') |
25 mkdir out_conflicts && | 24 mkdir out_conflicts && |
26 #end if | 25 #end if |
58 <configfiles> | 57 <configfiles> |
59 <inputs name="args_json" data_style="paths"/> | 58 <inputs name="args_json" data_style="paths"/> |
60 <configfile name="hardcoded_json"><![CDATA[{"log": "log.txt", "threads": "\${GALAXY_SLOTS:-1}", "no_progress": true}]]></configfile> | 59 <configfile name="hardcoded_json"><![CDATA[{"log": "log.txt", "threads": "\${GALAXY_SLOTS:-1}", "no_progress": true}]]></configfile> |
61 </configfiles> | 60 </configfiles> |
62 <inputs> | 61 <inputs> |
63 <param argument="-in" type="data" format="consensusxml" optional="false" label="Peptide multiplets with assigned sequence information" help=" select consensusxml data sets(s)"/> | 62 <param argument="-in" type="data" format="consensusxml" label="Peptide multiplets with assigned sequence information" help=" select consensusxml data sets(s)"/> |
64 <param argument="-in_blacklist" type="data" format="mzml" optional="true" label="Optional input containing spectral peaks blacklisted during feature detection" help="Needed for generation of dummy features select mzml data sets(s)"/> | 63 <param argument="-in_blacklist" type="data" format="mzml" optional="true" label="Optional input containing spectral peaks blacklisted during feature detection" help="Needed for generation of dummy features select mzml data sets(s)"/> |
65 <section name="algorithm" title="Parameters for the algorithm" help="" expanded="false"> | 64 <section name="algorithm" title="Parameters for the algorithm" help="" expanded="false"> |
66 <param name="labels" argument="-algorithm:labels" type="text" optional="true" value="[][Lys8,Arg10]" label="Labels used for labelling the samples" help="[...] specifies the labels for a single sample. For example. [][Lys8,Arg10] ... SILAC. [][Lys4,Arg6][Lys8,Arg10] ... triple-SILAC. [Dimethyl0][Dimethyl6] ... Dimethyl. [Dimethyl0][Dimethyl4][Dimethyl8] ... triple Dimethyl. [ICPL0][ICPL4][ICPL6][ICPL10] ... ICPL"> | 65 <param name="labels" argument="-algorithm:labels" type="text" value="[][Lys8,Arg10]" label="Labels used for labelling the samples" help="[...] specifies the labels for a single sample. For example. [][Lys8,Arg10] ... SILAC. [][Lys4,Arg6][Lys8,Arg10] ... triple-SILAC. [Dimethyl0][Dimethyl6] ... Dimethyl. [Dimethyl0][Dimethyl4][Dimethyl8] ... triple Dimethyl. [ICPL0][ICPL4][ICPL6][ICPL10] ... ICPL"> |
67 <expand macro="list_string_san" name="labels"/> | 66 <expand macro="list_string_san" name="labels"/> |
68 </param> | 67 </param> |
69 <param name="missed_cleavages" argument="-algorithm:missed_cleavages" type="integer" optional="true" min="0" value="0" label="Maximum number of missed cleavages due to incomplete digestion" help="(Only relevant if enzymatic cutting site coincides with labelling site. For example, Arg/Lys in the case of trypsin digestion and SILAC labelling.)"/> | 68 <param name="missed_cleavages" argument="-algorithm:missed_cleavages" type="integer" min="0" value="0" label="Maximum number of missed cleavages due to incomplete digestion" help="(Only relevant if enzymatic cutting site coincides with labelling site. For example, Arg/Lys in the case of trypsin digestion and SILAC labelling.)"/> |
70 <param name="mass_tolerance" argument="-algorithm:mass_tolerance" type="float" optional="true" value="0.1" label="Mass tolerance in Da for matching the mass shifts in the detected peptide multiplet to the theoretical mass shift pattern" help=""/> | 69 <param name="mass_tolerance" argument="-algorithm:mass_tolerance" type="float" value="0.1" label="Mass tolerance in Da for matching the mass shifts in the detected peptide multiplet to the theoretical mass shift pattern" help=""/> |
71 <param name="mz_tolerance" argument="-algorithm:mz_tolerance" type="integer" optional="true" value="10" label="m/z tolerance in ppm for checking if dummy feature vicinity was blacklisted" help=""/> | 70 <param name="mz_tolerance" argument="-algorithm:mz_tolerance" type="integer" value="10" label="m/z tolerance in ppm for checking if dummy feature vicinity was blacklisted" help=""/> |
72 <param name="rt_tolerance" argument="-algorithm:rt_tolerance" type="integer" optional="true" value="5" label="Retention time tolerance in seconds for checking if dummy feature vicinity was blacklisted" help=""/> | 71 <param name="rt_tolerance" argument="-algorithm:rt_tolerance" type="integer" value="5" label="Retention time tolerance in seconds for checking if dummy feature vicinity was blacklisted" help=""/> |
73 </section> | 72 </section> |
74 <section name="labels" title="Isotopic labels that can be specified in section 'algorithm:labels'" help="" expanded="false"> | 73 <section name="labels" title="Isotopic labels that can be specified in section 'algorithm:labels'" help="" expanded="false"> |
75 <param name="Arg6" argument="-labels:Arg6" type="float" optional="true" min="0.0" value="6.0201290268" label="Label:13C(6) | C(-6) 13C(6) | unimod #188" help=""/> | 74 <param name="Arg6" argument="-labels:Arg6" type="float" min="0.0" value="6.0201290268" label="Label:13C(6) | C(-6) 13C(6) | unimod #188" help=""/> |
76 <param name="Arg10" argument="-labels:Arg10" type="float" optional="true" min="0.0" value="10.0082686" label="Label:13C(6)15N(4) | C(-6) 13C(6) N(-4) 15N(4) | unimod #267" help=""/> | 75 <param name="Arg10" argument="-labels:Arg10" type="float" min="0.0" value="10.0082686" label="Label:13C(6)15N(4) | C(-6) 13C(6) N(-4) 15N(4) | unimod #267" help=""/> |
77 <param name="Lys4" argument="-labels:Lys4" type="float" optional="true" min="0.0" value="4.0251069836" label="Label:2H(4) | H(-4) 2H(4) | unimod #481" help=""/> | 76 <param name="Lys4" argument="-labels:Lys4" type="float" min="0.0" value="4.0251069836" label="Label:2H(4) | H(-4) 2H(4) | unimod #481" help=""/> |
78 <param name="Lys6" argument="-labels:Lys6" type="float" optional="true" min="0.0" value="6.0201290268" label="Label:13C(6) | C(-6) 13C(6) | unimod #188" help=""/> | 77 <param name="Lys6" argument="-labels:Lys6" type="float" min="0.0" value="6.0201290268" label="Label:13C(6) | C(-6) 13C(6) | unimod #188" help=""/> |
79 <param name="Lys8" argument="-labels:Lys8" type="float" optional="true" min="0.0" value="8.0141988132" label="Label:13C(6)15N(2) | C(-6) 13C(6) N(-2) 15N(2) | unimod #259" help=""/> | 78 <param name="Lys8" argument="-labels:Lys8" type="float" min="0.0" value="8.0141988132" label="Label:13C(6)15N(2) | C(-6) 13C(6) N(-2) 15N(2) | unimod #259" help=""/> |
80 <param name="Leu3" argument="-labels:Leu3" type="float" optional="true" min="0.0" value="3.01883" label="Label:2H(3) | H(-3) 2H(3) | unimod #262" help=""/> | 79 <param name="Leu3" argument="-labels:Leu3" type="float" min="0.0" value="3.01883" label="Label:2H(3) | H(-3) 2H(3) | unimod #262" help=""/> |
81 <param name="Dimethyl0" argument="-labels:Dimethyl0" type="float" optional="true" min="0.0" value="28.0313" label="Dimethyl | H(4) C(2) | unimod #36" help=""/> | 80 <param name="Dimethyl0" argument="-labels:Dimethyl0" type="float" min="0.0" value="28.0313" label="Dimethyl | H(4) C(2) | unimod #36" help=""/> |
82 <param name="Dimethyl4" argument="-labels:Dimethyl4" type="float" optional="true" min="0.0" value="32.056407" label="Dimethyl:2H(4) | 2H(4) C(2) | unimod #199" help=""/> | 81 <param name="Dimethyl4" argument="-labels:Dimethyl4" type="float" min="0.0" value="32.056407" label="Dimethyl:2H(4) | 2H(4) C(2) | unimod #199" help=""/> |
83 <param name="Dimethyl6" argument="-labels:Dimethyl6" type="float" optional="true" min="0.0" value="34.063117" label="Dimethyl:2H(4)13C(2) | 2H(4) 13C(2) | unimod #510" help=""/> | 82 <param name="Dimethyl6" argument="-labels:Dimethyl6" type="float" min="0.0" value="34.063117" label="Dimethyl:2H(4)13C(2) | 2H(4) 13C(2) | unimod #510" help=""/> |
84 <param name="Dimethyl8" argument="-labels:Dimethyl8" type="float" optional="true" min="0.0" value="36.07567" label="Dimethyl:2H(6)13C(2) | H(-2) 2H(6) 13C(2) | unimod #330" help=""/> | 83 <param name="Dimethyl8" argument="-labels:Dimethyl8" type="float" min="0.0" value="36.07567" label="Dimethyl:2H(6)13C(2) | H(-2) 2H(6) 13C(2) | unimod #330" help=""/> |
85 <param name="ICPL0" argument="-labels:ICPL0" type="float" optional="true" min="0.0" value="105.021464" label="ICPL | H(3) C(6) N O | unimod #365" help=""/> | 84 <param name="ICPL0" argument="-labels:ICPL0" type="float" min="0.0" value="105.021464" label="ICPL | H(3) C(6) N O | unimod #365" help=""/> |
86 <param name="ICPL4" argument="-labels:ICPL4" type="float" optional="true" min="0.0" value="109.046571" label="ICPL:2H(4) | H(-1) 2H(4) C(6) N O | unimod #687" help=""/> | 85 <param name="ICPL4" argument="-labels:ICPL4" type="float" min="0.0" value="109.046571" label="ICPL:2H(4) | H(-1) 2H(4) C(6) N O | unimod #687" help=""/> |
87 <param name="ICPL6" argument="-labels:ICPL6" type="float" optional="true" min="0.0" value="111.041593" label="ICPL:13C(6) | H(3) 13C(6) N O | unimod #364" help=""/> | 86 <param name="ICPL6" argument="-labels:ICPL6" type="float" min="0.0" value="111.041593" label="ICPL:13C(6) | H(3) 13C(6) N O | unimod #364" help=""/> |
88 <param name="ICPL10" argument="-labels:ICPL10" type="float" optional="true" min="0.0" value="115.0667" label="ICPL:13C(6)2H(4) | H(-1) 2H(4) 13C(6) N O | unimod #866" help=""/> | 87 <param name="ICPL10" argument="-labels:ICPL10" type="float" min="0.0" value="115.0667" label="ICPL:13C(6)2H(4) | H(-1) 2H(4) 13C(6) N O | unimod #866" help=""/> |
89 </section> | 88 </section> |
90 <expand macro="adv_opts_macro"> | 89 <expand macro="adv_opts_macro"> |
91 <param argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overrides tool-specific checks" help=""/> | 90 <param argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overrides tool-specific checks" help=""/> |
92 <param argument="-test" type="hidden" optional="true" value="False" label="Enables the test mode (needed for internal use only)" help=""> | 91 <param argument="-test" type="hidden" value="False" label="Enables the test mode (needed for internal use only)" help="" optional="true"> |
93 <expand macro="list_string_san" name="test"/> | 92 <expand macro="list_string_san" name="test"/> |
94 </param> | 93 </param> |
95 </expand> | 94 </expand> |
96 <param name="OPTIONAL_OUTPUTS" type="select" optional="true" multiple="true" label="Optional outputs"> | 95 <param name="OPTIONAL_OUTPUTS" type="select" optional="true" multiple="true" label="Optional outputs"> |
97 <option value="out_conflicts_FLAG">out_conflicts (Optional output containing peptide multiplets without ID annotation or with conflicting quant/ID information)</option> | 96 <option value="out_conflicts_FLAG">out_conflicts (Optional output containing peptide multiplets without ID annotation or with conflicting quant/ID information)</option> |
105 </data> | 104 </data> |
106 <data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd"> | 105 <data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd"> |
107 <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter> | 106 <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter> |
108 </data> | 107 </data> |
109 </outputs> | 108 </outputs> |
110 <tests><!-- UTILS_MultiplexResolver_1 --> | 109 <tests> |
110 <!-- TOPP_MultiplexResolver_1 --> | |
111 <test expect_num_outputs="3"> | 111 <test expect_num_outputs="3"> |
112 <section name="adv_opts"> | 112 <section name="adv_opts"> |
113 <param name="force" value="false"/> | 113 <param name="force" value="false"/> |
114 <param name="test" value="true"/> | 114 <param name="test" value="true"/> |
115 </section> | 115 </section> |
116 <param name="in" value="MultiplexResolver_1_input.consensusXML"/> | 116 <param name="in" value="MultiplexResolver_1_input.consensusXML"/> |
117 <output name="out" file="MultiplexResolver_1_output.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> | 117 <output name="out" value="MultiplexResolver_1_output.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> |
118 <output name="out_conflicts" file="MultiplexResolver_1_output_conflicts.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> | 118 <output name="out_conflicts" value="MultiplexResolver_1_output_conflicts.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> |
119 <section name="algorithm"> | 119 <section name="algorithm"> |
120 <param name="labels" value="[][Lys4,Arg6][Lys8,Arg10]"/> | 120 <param name="labels" value="[][Lys4,Arg6][Lys8,Arg10]"/> |
121 <param name="missed_cleavages" value="1"/> | 121 <param name="missed_cleavages" value="1"/> |
122 <param name="mass_tolerance" value="0.1"/> | 122 <param name="mass_tolerance" value="0.1"/> |
123 <param name="mz_tolerance" value="10"/> | 123 <param name="mz_tolerance" value="10"/> |
143 <output name="ctd_out" ftype="xml"> | 143 <output name="ctd_out" ftype="xml"> |
144 <assert_contents> | 144 <assert_contents> |
145 <is_valid_xml/> | 145 <is_valid_xml/> |
146 </assert_contents> | 146 </assert_contents> |
147 </output> | 147 </output> |
148 </test> | 148 <assert_stdout> |
149 <!-- UTILS_MultiplexResolver_2 --> | 149 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/> |
150 </assert_stdout> | |
151 </test> | |
152 <!-- TOPP_MultiplexResolver_2 --> | |
150 <test expect_num_outputs="3"> | 153 <test expect_num_outputs="3"> |
151 <section name="adv_opts"> | 154 <section name="adv_opts"> |
152 <param name="force" value="false"/> | 155 <param name="force" value="false"/> |
153 <param name="test" value="true"/> | 156 <param name="test" value="true"/> |
154 </section> | 157 </section> |
155 <param name="in" value="MultiplexResolver_2_input.consensusXML"/> | 158 <param name="in" value="MultiplexResolver_2_input.consensusXML"/> |
156 <output name="out" file="MultiplexResolver_2_output.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> | 159 <output name="out" value="MultiplexResolver_2_output.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> |
157 <output name="out_conflicts" file="MultiplexResolver_2_output_conflicts.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> | 160 <output name="out_conflicts" value="MultiplexResolver_2_output_conflicts.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> |
158 <section name="algorithm"> | 161 <section name="algorithm"> |
159 <param name="labels" value="[Dimethyl0][Dimethyl4][Dimethyl8]"/> | 162 <param name="labels" value="[Dimethyl0][Dimethyl4][Dimethyl8]"/> |
160 <param name="missed_cleavages" value="4"/> | 163 <param name="missed_cleavages" value="4"/> |
161 <param name="mass_tolerance" value="0.1"/> | 164 <param name="mass_tolerance" value="0.1"/> |
162 <param name="mz_tolerance" value="10"/> | 165 <param name="mz_tolerance" value="10"/> |
182 <output name="ctd_out" ftype="xml"> | 185 <output name="ctd_out" ftype="xml"> |
183 <assert_contents> | 186 <assert_contents> |
184 <is_valid_xml/> | 187 <is_valid_xml/> |
185 </assert_contents> | 188 </assert_contents> |
186 </output> | 189 </output> |
187 </test> | 190 <assert_stdout> |
188 <!-- UTILS_MultiplexResolver_3 --> | 191 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/> |
192 </assert_stdout> | |
193 </test> | |
194 <!-- TOPP_MultiplexResolver_3 --> | |
189 <test expect_num_outputs="3"> | 195 <test expect_num_outputs="3"> |
190 <section name="adv_opts"> | 196 <section name="adv_opts"> |
191 <param name="force" value="false"/> | 197 <param name="force" value="false"/> |
192 <param name="test" value="true"/> | 198 <param name="test" value="true"/> |
193 </section> | 199 </section> |
194 <param name="in" value="MultiplexResolver_3_input.consensusXML"/> | 200 <param name="in" value="MultiplexResolver_3_input.consensusXML"/> |
195 <output name="out" file="MultiplexResolver_3_output.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> | 201 <output name="out" value="MultiplexResolver_3_output.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> |
196 <output name="out_conflicts" file="MultiplexResolver_3_output_conflicts.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> | 202 <output name="out_conflicts" value="MultiplexResolver_3_output_conflicts.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> |
197 <section name="algorithm"> | 203 <section name="algorithm"> |
198 <param name="labels" value="[][Leu3]"/> | 204 <param name="labels" value="[][Leu3]"/> |
199 <param name="missed_cleavages" value="2"/> | 205 <param name="missed_cleavages" value="2"/> |
200 <param name="mass_tolerance" value="0.1"/> | 206 <param name="mass_tolerance" value="0.1"/> |
201 <param name="mz_tolerance" value="10"/> | 207 <param name="mz_tolerance" value="10"/> |
221 <output name="ctd_out" ftype="xml"> | 227 <output name="ctd_out" ftype="xml"> |
222 <assert_contents> | 228 <assert_contents> |
223 <is_valid_xml/> | 229 <is_valid_xml/> |
224 </assert_contents> | 230 </assert_contents> |
225 </output> | 231 </output> |
226 </test> | 232 <assert_stdout> |
227 <!-- UTILS_MultiplexResolver_4 --> | 233 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/> |
234 </assert_stdout> | |
235 </test> | |
236 <!-- TOPP_MultiplexResolver_4 --> | |
228 <test expect_num_outputs="3"> | 237 <test expect_num_outputs="3"> |
229 <section name="adv_opts"> | 238 <section name="adv_opts"> |
230 <param name="force" value="false"/> | 239 <param name="force" value="false"/> |
231 <param name="test" value="true"/> | 240 <param name="test" value="true"/> |
232 </section> | 241 </section> |
233 <param name="in" value="MultiplexResolver_4_input.consensusXML"/> | 242 <param name="in" value="MultiplexResolver_4_input.consensusXML"/> |
234 <param name="in_blacklist" value="MultiplexResolver_4_input.mzML"/> | 243 <param name="in_blacklist" value="MultiplexResolver_4_input.mzML"/> |
235 <output name="out" file="MultiplexResolver_4_output.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> | 244 <output name="out" value="MultiplexResolver_4_output.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> |
236 <output name="out_conflicts" file="MultiplexResolver_4_output_conflicts.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> | 245 <output name="out_conflicts" value="MultiplexResolver_4_output_conflicts.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/> |
237 <section name="algorithm"> | 246 <section name="algorithm"> |
238 <param name="labels" value="[Dimethyl0][Dimethyl6]"/> | 247 <param name="labels" value="[Dimethyl0][Dimethyl6]"/> |
239 <param name="missed_cleavages" value="3"/> | 248 <param name="missed_cleavages" value="3"/> |
240 <param name="mass_tolerance" value="0.1"/> | 249 <param name="mass_tolerance" value="0.1"/> |
241 <param name="mz_tolerance" value="10"/> | 250 <param name="mz_tolerance" value="10"/> |
261 <output name="ctd_out" ftype="xml"> | 270 <output name="ctd_out" ftype="xml"> |
262 <assert_contents> | 271 <assert_contents> |
263 <is_valid_xml/> | 272 <is_valid_xml/> |
264 </assert_contents> | 273 </assert_contents> |
265 </output> | 274 </output> |
275 <assert_stdout> | |
276 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/> | |
277 </assert_stdout> | |
266 </test> | 278 </test> |
267 </tests> | 279 </tests> |
268 <help><![CDATA[Completes peptide multiplets and resolves conflicts within them. | 280 <help><![CDATA[Completes peptide multiplets and resolves conflicts within them. |
269 | 281 |
270 | 282 |
271 For more information, visit http://www.openms.de/doxygen/release/2.8.0/html/UTILS_MultiplexResolver.html]]></help> | 283 For more information, visit https://openms.de/doxygen/release/3.1.0/html/TOPP_MultiplexResolver.html]]></help> |
272 <expand macro="references"/> | 284 <expand macro="references"/> |
273 </tool> | 285 </tool> |