annotate PeptideIndexer.xml @ 14:0693b186f39e draft default tip

planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 5c080b1e2b99f1c88f4557e9fec8c45c9d23b906
author galaxyp
date Fri, 14 Jun 2024 21:45:45 +0000
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1 <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTDConverter.-->
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2 <!--Proposed Tool Section: [Identification Processing]-->
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3 <tool id="PeptideIndexer" name="PeptideIndexer" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.05">
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4 <description>Refreshes the protein references for all peptide hits</description>
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5 <macros>
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6 <token name="@EXECUTABLE@">PeptideIndexer</token>
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7 <import>macros.xml</import>
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8 </macros>
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9 <expand macro="requirements"/>
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10 <expand macro="stdio"/>
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11 <command detect_errors="exit_code"><![CDATA[@QUOTE_FOO@
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12 @EXT_FOO@
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13 #import re
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15 ## Preprocessing
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16 mkdir in &&
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17 cp '$in' 'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)' &&
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18 #if $fasta:
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19 mkdir fasta &&
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20 cp '$fasta' 'fasta/${re.sub("[^\w\-_]", "_", $fasta.element_identifier)}.$gxy2omsext($fasta.ext)' &&
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21 #end if
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22 mkdir out &&
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24 ## Main program call
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25
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26 set -o pipefail &&
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27 @EXECUTABLE@ -write_ctd ./ &&
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28 python3 '$__tool_directory__/fill_ctd.py' '@EXECUTABLE@.ctd' '$args_json' '$hardcoded_json' &&
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29 @EXECUTABLE@ -ini @EXECUTABLE@.ctd
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30 -in
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31 'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)'
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32 #if $fasta:
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33 -fasta
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34 'fasta/${re.sub("[^\w\-_]", "_", $fasta.element_identifier)}.$gxy2omsext($fasta.ext)'
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35 #end if
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36 -out
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37 'out/output.${gxy2omsext("idxml")}'
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39 ## Postprocessing
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40 && mv 'out/output.${gxy2omsext("idxml")}' '$out'
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41 #if "ctd_out_FLAG" in $OPTIONAL_OUTPUTS
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42 && mv '@EXECUTABLE@.ctd' '$ctd_out'
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43 #end if]]></command>
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44 <configfiles>
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45 <inputs name="args_json" data_style="paths"/>
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46 <configfile name="hardcoded_json"><![CDATA[{"log": "log.txt", "threads": "\${GALAXY_SLOTS:-1}", "no_progress": true}]]></configfile>
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47 </configfiles>
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48 <inputs>
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49 <param argument="-in" type="data" format="idxml" label="Input idXML file containing the identifications" help=" select idxml data sets(s)"/>
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50 <param argument="-fasta" type="data" format="fasta" optional="true" label="Input sequence database in FASTA format" help="Leave empty for using the same DB as used for the input idXML (this might fail). Non-existing relative filenames are looked up via 'OpenMS.ini:id_db_dir' select fasta data sets(s)"/>
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51 <param argument="-decoy_string" type="text" optional="true" value="" label="String that was appended (or prefixed - see 'decoy_string_position' flag below) to the accessions in the protein database to indicate decoy proteins" help="If empty (default), it's determined automatically (checking for common terms, both as prefix and suffix)">
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52 <expand macro="list_string_san" name="decoy_string"/>
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53 </param>
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54 <param argument="-decoy_string_position" type="select" label="Is the 'decoy_string' prepended (prefix) or appended (suffix) to the protein accession" help="(ignored if decoy_string is empty)">
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55 <option value="prefix" selected="true">prefix</option>
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56 <option value="suffix">suffix</option>
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57 <expand macro="list_string_san" name="decoy_string_position"/>
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58 </param>
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59 <param argument="-missing_decoy_action" type="select" label="Action to take if NO peptide was assigned to a decoy protein (which indicates wrong database or decoy string): 'error' (exit with error, no output), 'warn' (exit with success, warning message), 'silent' (no action is taken, not even a warning)" help="">
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60 <option value="error" selected="true">error</option>
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61 <option value="warn">warn</option>
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62 <option value="silent">silent</option>
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63 <expand macro="list_string_san" name="missing_decoy_action"/>
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64 </param>
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65 <param argument="-write_protein_sequence" type="boolean" truevalue="true" falsevalue="false" checked="false" label="If set, the protein sequences are stored as well" help=""/>
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66 <param argument="-write_protein_description" type="boolean" truevalue="true" falsevalue="false" checked="false" label="If set, the protein description is stored as well" help=""/>
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67 <param argument="-keep_unreferenced_proteins" type="boolean" truevalue="true" falsevalue="false" checked="false" label="If set, protein hits which are not referenced by any peptide are kept" help=""/>
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68 <param argument="-unmatched_action" type="select" label="If peptide sequences cannot be matched to any protein: 1) raise an error; 2) warn (unmatched PepHits will miss target/decoy annotation with downstream problems); 3) remove the hit" help="">
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69 <option value="error" selected="true">error</option>
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70 <option value="warn">warn</option>
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71 <option value="remove">remove</option>
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72 <expand macro="list_string_san" name="unmatched_action"/>
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73 </param>
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74 <param argument="-aaa_max" type="integer" min="0" max="10" value="3" label="Maximal number of ambiguous amino acids (AAAs) allowed when matching to a protein database with AAAs" help="AAAs are 'B', 'J', 'Z' and 'X'"/>
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75 <param argument="-mismatches_max" type="integer" min="0" max="10" value="0" label="Maximal number of mismatched (mm) amino acids allowed when matching to a protein database" help="The required runtime is exponential in the number of mm's; apply with care. MM's are allowed in addition to AAA's"/>
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76 <param argument="-IL_equivalent" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Treat the isobaric amino acids isoleucine ('I') and leucine ('L') as equivalent (indistinguishable)" help="Also occurrences of 'J' will be treated as 'I' thus avoiding ambiguous matching"/>
14
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77 <param argument="-allow_nterm_protein_cleavage" type="boolean" truevalue="true" falsevalue="false" checked="true" label="Allow the protein N-terminus amino acid to clip" help=""/>
9
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78 <section name="enzyme" title="" help="" expanded="false">
14
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79 <param name="name" argument="-enzyme:name" type="select" label="Enzyme which determines valid cleavage sites -" help="e.g. trypsin cleaves after lysine (K) or arginine (R), but not before proline (P). Default: deduce from input">
11
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80 <option value="auto" selected="true">auto</option>
14
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81 <option value="Trypsin">Trypsin</option>
13
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82 <option value="Arg-C">Arg-C</option>
14
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parents: 13
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83 <option value="cyanogen-bromide">cyanogen-bromide</option>
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parents: 13
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84 <option value="Clostripain/P">Clostripain/P</option>
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parents: 13
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85 <option value="elastase-trypsin-chymotrypsin">elastase-trypsin-chymotrypsin</option>
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parents: 13
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86 <option value="no cleavage">no cleavage</option>
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galaxyp
parents: 13
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87 <option value="unspecific cleavage">unspecific cleavage</option>
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parents: 13
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88 <option value="glutamyl endopeptidase">glutamyl endopeptidase</option>
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parents: 13
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89 <option value="Alpha-lytic protease">Alpha-lytic protease</option>
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parents: 13
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90 <option value="2-iodobenzoate">2-iodobenzoate</option>
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parents: 13
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91 <option value="iodosobenzoate">iodosobenzoate</option>
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parents: 13
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92 <option value="staphylococcal protease/D">staphylococcal protease/D</option>
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parents: 13
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93 <option value="proline-endopeptidase/HKR">proline-endopeptidase/HKR</option>
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parents: 13
diff changeset
94 <option value="Glu-C+P">Glu-C+P</option>
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galaxyp
parents: 13
diff changeset
95 <option value="PepsinA + P">PepsinA + P</option>
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parents: 13
diff changeset
96 <option value="Trypsin/P">Trypsin/P</option>
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97 <option value="V8-DE">V8-DE</option>
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98 <option value="Arg-C/P">Arg-C/P</option>
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99 <option value="Asp-N">Asp-N</option>
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100 <option value="Asp-N/B">Asp-N/B</option>
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101 <option value="Asp-N_ambic">Asp-N_ambic</option>
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102 <option value="Chymotrypsin">Chymotrypsin</option>
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103 <option value="Chymotrypsin/P">Chymotrypsin/P</option>
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104 <option value="CNBr">CNBr</option>
13
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105 <option value="Formic_acid">Formic_acid</option>
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106 <option value="Lys-C">Lys-C</option>
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107 <option value="Lys-N">Lys-N</option>
14
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108 <option value="Lys-C/P">Lys-C/P</option>
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109 <option value="PepsinA">PepsinA</option>
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110 <option value="TrypChymo">TrypChymo</option>
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111 <option value="V8-E">V8-E</option>
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112 <option value="leukocyte elastase">leukocyte elastase</option>
11
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113 <option value="proline endopeptidase">proline endopeptidase</option>
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114 <expand macro="list_string_san" name="name"/>
9
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115 </param>
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116 <param name="specificity" argument="-enzyme:specificity" type="select" label="Specificity of the enzyme" help="Default: deduce from input.. 'full': both internal cleavage sites must match.. 'semi': one of two internal cleavage sites must match.. 'none': allow all peptide hits no matter their context (enzyme is irrelevant)">
11
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117 <option value="auto" selected="true">auto</option>
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118 <option value="full">full</option>
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119 <option value="semi">semi</option>
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120 <option value="none">none</option>
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121 <expand macro="list_string_san" name="specificity"/>
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122 </param>
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123 </section>
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124 <expand macro="adv_opts_macro">
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125 <param argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overrides tool-specific checks" help=""/>
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126 <param argument="-test" type="hidden" value="False" label="Enables the test mode (needed for internal use only)" help="" optional="true">
13
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127 <expand macro="list_string_san" name="test"/>
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128 </param>
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129 </expand>
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130 <param name="OPTIONAL_OUTPUTS" type="select" optional="true" multiple="true" label="Optional outputs">
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131 <option value="ctd_out_FLAG">Output used ctd (ini) configuration file</option>
0
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132 </param>
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133 </inputs>
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134 <outputs>
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135 <data name="out" label="${tool.name} on ${on_string}: out" format="idxml"/>
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136 <data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd">
c4a73c6a8dca "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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137 <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter>
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138 </data>
0
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139 </outputs>
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140 <tests>
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141 <!-- TOPP_PeptideIndexer_1 -->
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142 <test expect_num_outputs="2">
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143 <section name="adv_opts">
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144 <param name="force" value="false"/>
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145 <param name="test" value="true"/>
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146 </section>
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147 <param name="in" value="PeptideIndexer_1.idXML"/>
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148 <param name="fasta" value="PeptideIndexer_1.fasta"/>
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149 <output name="out" value="PeptideIndexer_1_out.idXML" compare="sim_size" delta_frac="0.7" ftype="idxml"/>
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150 <param name="decoy_string" value=""/>
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151 <param name="decoy_string_position" value="prefix"/>
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152 <param name="missing_decoy_action" value="error"/>
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153 <param name="write_protein_sequence" value="false"/>
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154 <param name="write_protein_description" value="false"/>
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155 <param name="keep_unreferenced_proteins" value="false"/>
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156 <param name="unmatched_action" value="warn"/>
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157 <param name="aaa_max" value="4"/>
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158 <param name="mismatches_max" value="0"/>
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159 <param name="IL_equivalent" value="false"/>
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160 <param name="allow_nterm_protein_cleavage" value="true"/>
13
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161 <section name="enzyme">
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162 <param name="name" value="auto"/>
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163 <param name="specificity" value="none"/>
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164 </section>
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165 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
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166 <output name="ctd_out" ftype="xml">
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167 <assert_contents>
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168 <is_valid_xml/>
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169 </assert_contents>
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170 </output>
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171 <assert_stdout>
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172 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
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173 </assert_stdout>
13
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174 </test>
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175 <!-- TOPP_PeptideIndexer_2 -->
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176 <test expect_num_outputs="2">
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177 <section name="adv_opts">
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178 <param name="force" value="false"/>
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179 <param name="test" value="true"/>
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180 </section>
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181 <param name="in" value="PeptideIndexer_1.idXML"/>
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182 <param name="fasta" value="PeptideIndexer_1.fasta"/>
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183 <output name="out" value="PeptideIndexer_2_out.idXML" compare="sim_size" delta_frac="0.7" ftype="idxml"/>
13
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184 <param name="decoy_string" value=""/>
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185 <param name="decoy_string_position" value="prefix"/>
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186 <param name="missing_decoy_action" value="error"/>
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187 <param name="write_protein_sequence" value="true"/>
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188 <param name="write_protein_description" value="false"/>
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189 <param name="keep_unreferenced_proteins" value="false"/>
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190 <param name="unmatched_action" value="warn"/>
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191 <param name="aaa_max" value="4"/>
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192 <param name="mismatches_max" value="0"/>
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193 <param name="IL_equivalent" value="false"/>
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194 <param name="allow_nterm_protein_cleavage" value="true"/>
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195 <section name="enzyme">
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196 <param name="name" value="auto"/>
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197 <param name="specificity" value="none"/>
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198 </section>
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199 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
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200 <output name="ctd_out" ftype="xml">
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201 <assert_contents>
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202 <is_valid_xml/>
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203 </assert_contents>
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204 </output>
14
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205 <assert_stdout>
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206 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
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207 </assert_stdout>
13
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208 </test>
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209 <!-- TOPP_PeptideIndexer_3 -->
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210 <test expect_num_outputs="2">
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211 <section name="adv_opts">
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212 <param name="force" value="false"/>
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213 <param name="test" value="true"/>
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214 </section>
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215 <param name="in" value="PeptideIndexer_1.idXML"/>
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216 <param name="fasta" value="PeptideIndexer_1.fasta"/>
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217 <output name="out" value="PeptideIndexer_3_out.idXML" compare="sim_size" delta_frac="0.7" ftype="idxml"/>
13
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218 <param name="decoy_string" value=""/>
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219 <param name="decoy_string_position" value="prefix"/>
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220 <param name="missing_decoy_action" value="error"/>
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221 <param name="write_protein_sequence" value="false"/>
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222 <param name="write_protein_description" value="false"/>
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223 <param name="keep_unreferenced_proteins" value="true"/>
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224 <param name="unmatched_action" value="warn"/>
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225 <param name="aaa_max" value="4"/>
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226 <param name="mismatches_max" value="0"/>
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227 <param name="IL_equivalent" value="false"/>
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228 <param name="allow_nterm_protein_cleavage" value="true"/>
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229 <section name="enzyme">
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230 <param name="name" value="auto"/>
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231 <param name="specificity" value="none"/>
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232 </section>
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233 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
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234 <output name="ctd_out" ftype="xml">
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235 <assert_contents>
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236 <is_valid_xml/>
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237 </assert_contents>
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238 </output>
14
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239 <assert_stdout>
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240 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
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241 </assert_stdout>
13
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242 </test>
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243 <!-- TOPP_PeptideIndexer_4 -->
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244 <test expect_num_outputs="2">
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245 <section name="adv_opts">
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246 <param name="force" value="false"/>
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247 <param name="test" value="true"/>
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248 </section>
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249 <param name="in" value="PeptideIndexer_1.idXML"/>
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250 <param name="fasta" value="PeptideIndexer_1.fasta"/>
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251 <output name="out" value="PeptideIndexer_4_out.idXML" compare="sim_size" delta_frac="0.7" ftype="idxml"/>
13
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252 <param name="decoy_string" value=""/>
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253 <param name="decoy_string_position" value="prefix"/>
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254 <param name="missing_decoy_action" value="error"/>
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255 <param name="write_protein_sequence" value="true"/>
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256 <param name="write_protein_description" value="false"/>
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257 <param name="keep_unreferenced_proteins" value="false"/>
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258 <param name="unmatched_action" value="warn"/>
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259 <param name="aaa_max" value="0"/>
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260 <param name="mismatches_max" value="0"/>
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261 <param name="IL_equivalent" value="false"/>
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262 <param name="allow_nterm_protein_cleavage" value="true"/>
13
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263 <section name="enzyme">
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264 <param name="name" value="auto"/>
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265 <param name="specificity" value="none"/>
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266 </section>
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267 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
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268 <output name="ctd_out" ftype="xml">
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269 <assert_contents>
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270 <is_valid_xml/>
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271 </assert_contents>
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272 </output>
14
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273 <assert_stdout>
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274 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
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275 </assert_stdout>
13
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276 </test>
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277 <!-- TOPP_PeptideIndexer_5 -->
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278 <test expect_num_outputs="2">
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279 <section name="adv_opts">
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280 <param name="force" value="false"/>
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281 <param name="test" value="true"/>
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282 </section>
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283 <param name="in" value="PeptideIndexer_1.idXML"/>
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284 <param name="fasta" value="PeptideIndexer_1.fasta"/>
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285 <output name="out" value="PeptideIndexer_5_out.idXML" compare="sim_size" delta_frac="0.7" ftype="idxml"/>
13
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286 <param name="decoy_string" value=""/>
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287 <param name="decoy_string_position" value="prefix"/>
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288 <param name="missing_decoy_action" value="error"/>
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289 <param name="write_protein_sequence" value="false"/>
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290 <param name="write_protein_description" value="false"/>
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291 <param name="keep_unreferenced_proteins" value="false"/>
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292 <param name="unmatched_action" value="warn"/>
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293 <param name="aaa_max" value="4"/>
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294 <param name="mismatches_max" value="0"/>
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295 <param name="IL_equivalent" value="false"/>
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296 <param name="allow_nterm_protein_cleavage" value="true"/>
13
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297 <section name="enzyme">
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298 <param name="name" value="auto"/>
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299 <param name="specificity" value="none"/>
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300 </section>
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301 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
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302 <output name="ctd_out" ftype="xml">
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303 <assert_contents>
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304 <is_valid_xml/>
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305 </assert_contents>
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306 </output>
14
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307 <assert_stdout>
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308 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
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309 </assert_stdout>
13
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310 </test>
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311 <!-- TOPP_PeptideIndexer_6 -->
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312 <test expect_num_outputs="2">
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313 <section name="adv_opts">
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314 <param name="force" value="false"/>
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315 <param name="test" value="true"/>
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316 </section>
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317 <param name="in" value="PeptideIndexer_2.idXML"/>
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318 <param name="fasta" value="PeptideIndexer_1.fasta"/>
14
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319 <output name="out" value="PeptideIndexer_6_out.idXML" compare="sim_size" delta_frac="0.7" ftype="idxml"/>
13
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320 <param name="decoy_string" value=""/>
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321 <param name="decoy_string_position" value="prefix"/>
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322 <param name="missing_decoy_action" value="error"/>
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323 <param name="write_protein_sequence" value="false"/>
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324 <param name="write_protein_description" value="false"/>
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325 <param name="keep_unreferenced_proteins" value="false"/>
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326 <param name="unmatched_action" value="warn"/>
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327 <param name="aaa_max" value="3"/>
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328 <param name="mismatches_max" value="0"/>
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329 <param name="IL_equivalent" value="false"/>
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330 <param name="allow_nterm_protein_cleavage" value="true"/>
13
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331 <section name="enzyme">
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332 <param name="name" value="auto"/>
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333 <param name="specificity" value="none"/>
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334 </section>
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335 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
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336 <output name="ctd_out" ftype="xml">
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337 <assert_contents>
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338 <is_valid_xml/>
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339 </assert_contents>
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340 </output>
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341 <assert_stdout>
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342 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
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343 </assert_stdout>
13
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344 </test>
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345 <!-- TOPP_PeptideIndexer_7 -->
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346 <test expect_num_outputs="2">
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347 <section name="adv_opts">
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348 <param name="force" value="false"/>
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349 <param name="test" value="true"/>
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350 </section>
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351 <param name="in" value="PeptideIndexer_3.idXML"/>
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352 <param name="fasta" value="PeptideIndexer_1.fasta"/>
14
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353 <output name="out" value="PeptideIndexer_7_out.idXML" compare="sim_size" delta_frac="0.7" ftype="idxml"/>
13
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354 <param name="decoy_string" value="DECOY_"/>
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355 <param name="decoy_string_position" value="prefix"/>
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356 <param name="missing_decoy_action" value="error"/>
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357 <param name="write_protein_sequence" value="false"/>
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358 <param name="write_protein_description" value="false"/>
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359 <param name="keep_unreferenced_proteins" value="false"/>
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360 <param name="unmatched_action" value="warn"/>
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361 <param name="aaa_max" value="4"/>
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362 <param name="mismatches_max" value="0"/>
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363 <param name="IL_equivalent" value="false"/>
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364 <param name="allow_nterm_protein_cleavage" value="true"/>
13
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365 <section name="enzyme">
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366 <param name="name" value="auto"/>
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367 <param name="specificity" value="full"/>
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368 </section>
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369 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
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370 <output name="ctd_out" ftype="xml">
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371 <assert_contents>
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372 <is_valid_xml/>
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373 </assert_contents>
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374 </output>
14
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375 <assert_stdout>
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376 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
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377 </assert_stdout>
13
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378 </test>
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379 <!-- TOPP_PeptideIndexer_8 -->
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380 <test expect_num_outputs="2">
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381 <section name="adv_opts">
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382 <param name="force" value="false"/>
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383 <param name="test" value="true"/>
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384 </section>
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385 <param name="in" value="PeptideIndexer_3.idXML"/>
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386 <param name="fasta" value="PeptideIndexer_1.fasta"/>
14
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387 <output name="out" value="PeptideIndexer_8_out.idXML" compare="sim_size" delta_frac="0.7" ftype="idxml"/>
13
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388 <param name="decoy_string" value=""/>
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389 <param name="decoy_string_position" value="prefix"/>
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390 <param name="missing_decoy_action" value="error"/>
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391 <param name="write_protein_sequence" value="false"/>
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392 <param name="write_protein_description" value="false"/>
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393 <param name="keep_unreferenced_proteins" value="false"/>
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394 <param name="unmatched_action" value="warn"/>
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395 <param name="aaa_max" value="4"/>
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396 <param name="mismatches_max" value="0"/>
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397 <param name="IL_equivalent" value="false"/>
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398 <param name="allow_nterm_protein_cleavage" value="true"/>
13
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399 <section name="enzyme">
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400 <param name="name" value="auto"/>
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401 <param name="specificity" value="semi"/>
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402 </section>
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403 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
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404 <output name="ctd_out" ftype="xml">
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405 <assert_contents>
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406 <is_valid_xml/>
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407 </assert_contents>
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408 </output>
14
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409 <assert_stdout>
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410 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
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411 </assert_stdout>
13
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412 </test>
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413 <!-- TOPP_PeptideIndexer_9 -->
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414 <test expect_num_outputs="2">
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415 <section name="adv_opts">
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416 <param name="force" value="false"/>
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417 <param name="test" value="true"/>
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418 </section>
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419 <param name="in" value="PeptideIndexer_3.idXML"/>
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420 <param name="fasta" value="PeptideIndexer_1.fasta"/>
14
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421 <output name="out" value="PeptideIndexer_9_out.idXML" compare="sim_size" delta_frac="0.7" ftype="idxml"/>
13
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422 <param name="decoy_string" value=""/>
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423 <param name="decoy_string_position" value="prefix"/>
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424 <param name="missing_decoy_action" value="error"/>
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425 <param name="write_protein_sequence" value="false"/>
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426 <param name="write_protein_description" value="false"/>
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427 <param name="keep_unreferenced_proteins" value="false"/>
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428 <param name="unmatched_action" value="remove"/>
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429 <param name="aaa_max" value="4"/>
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430 <param name="mismatches_max" value="0"/>
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431 <param name="IL_equivalent" value="false"/>
14
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432 <param name="allow_nterm_protein_cleavage" value="true"/>
13
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433 <section name="enzyme">
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434 <param name="name" value="auto"/>
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435 <param name="specificity" value="none"/>
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436 </section>
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437 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
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438 <output name="ctd_out" ftype="xml">
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439 <assert_contents>
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440 <is_valid_xml/>
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441 </assert_contents>
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442 </output>
14
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443 <assert_stdout>
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444 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
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445 </assert_stdout>
13
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446 </test>
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447 <!-- TOPP_PeptideIndexer_10 -->
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448 <test expect_num_outputs="2">
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449 <section name="adv_opts">
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450 <param name="force" value="false"/>
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451 <param name="test" value="true"/>
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452 </section>
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453 <param name="in" value="PeptideIndexer_10_input.idXML"/>
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454 <param name="fasta" value="PeptideIndexer_10_input.fasta"/>
14
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455 <output name="out" value="PeptideIndexer_10_output.idXML" compare="sim_size" delta_frac="0.7" ftype="idxml"/>
13
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456 <param name="decoy_string" value=""/>
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457 <param name="decoy_string_position" value="prefix"/>
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458 <param name="missing_decoy_action" value="error"/>
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459 <param name="write_protein_sequence" value="true"/>
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460 <param name="write_protein_description" value="false"/>
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461 <param name="keep_unreferenced_proteins" value="false"/>
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462 <param name="unmatched_action" value="error"/>
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463 <param name="aaa_max" value="3"/>
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464 <param name="mismatches_max" value="0"/>
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465 <param name="IL_equivalent" value="true"/>
14
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466 <param name="allow_nterm_protein_cleavage" value="true"/>
13
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467 <section name="enzyme">
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468 <param name="name" value="auto"/>
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469 <param name="specificity" value="auto"/>
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470 </section>
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471 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
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472 <output name="ctd_out" ftype="xml">
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473 <assert_contents>
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474 <is_valid_xml/>
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475 </assert_contents>
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476 </output>
14
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477 <assert_stdout>
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478 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
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479 </assert_stdout>
13
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480 </test>
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diff changeset
481 <!-- TOPP_PeptideIndexer_12 -->
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482 <test expect_num_outputs="2">
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diff changeset
483 <section name="adv_opts">
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484 <param name="force" value="false"/>
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diff changeset
485 <param name="test" value="true"/>
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diff changeset
486 </section>
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diff changeset
487 <param name="in" value="PeptideIndexer_1.idXML"/>
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488 <param name="fasta" value="PeptideIndexer_1.fasta"/>
14
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diff changeset
489 <output name="out" value="PeptideIndexer_12_out.idXML" compare="sim_size" delta_frac="0.7" ftype="idxml"/>
13
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diff changeset
490 <param name="decoy_string" value=""/>
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galaxyp
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491 <param name="decoy_string_position" value="prefix"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
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diff changeset
492 <param name="missing_decoy_action" value="error"/>
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galaxyp
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493 <param name="write_protein_sequence" value="false"/>
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galaxyp
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494 <param name="write_protein_description" value="false"/>
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galaxyp
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diff changeset
495 <param name="keep_unreferenced_proteins" value="false"/>
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galaxyp
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diff changeset
496 <param name="unmatched_action" value="warn"/>
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galaxyp
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497 <param name="aaa_max" value="4"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
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diff changeset
498 <param name="mismatches_max" value="0"/>
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galaxyp
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diff changeset
499 <param name="IL_equivalent" value="false"/>
14
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galaxyp
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500 <param name="allow_nterm_protein_cleavage" value="true"/>
13
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galaxyp
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diff changeset
501 <section name="enzyme">
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galaxyp
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502 <param name="name" value="auto"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
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diff changeset
503 <param name="specificity" value="none"/>
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galaxyp
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diff changeset
504 </section>
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galaxyp
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diff changeset
505 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
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diff changeset
506 <output name="ctd_out" ftype="xml">
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galaxyp
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507 <assert_contents>
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galaxyp
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diff changeset
508 <is_valid_xml/>
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galaxyp
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509 </assert_contents>
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galaxyp
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diff changeset
510 </output>
14
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galaxyp
parents: 13
diff changeset
511 <assert_stdout>
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512 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
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513 </assert_stdout>
13
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diff changeset
514 </test>
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galaxyp
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diff changeset
515 <!-- TOPP_PeptideIndexer_13 -->
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galaxyp
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diff changeset
516 <test expect_num_outputs="2">
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galaxyp
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diff changeset
517 <section name="adv_opts">
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galaxyp
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diff changeset
518 <param name="force" value="false"/>
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galaxyp
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diff changeset
519 <param name="test" value="true"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
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diff changeset
520 </section>
14
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galaxyp
parents: 13
diff changeset
521 <param name="in" value="empty_0.idXML"/>
13
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galaxyp
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diff changeset
522 <param name="fasta" value="PeptideIndexer_1.fasta"/>
14
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galaxyp
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diff changeset
523 <output name="out" value="empty_1.idXML" compare="sim_size" delta_frac="0.7" ftype="idxml"/>
13
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galaxyp
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diff changeset
524 <param name="decoy_string" value=""/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
525 <param name="decoy_string_position" value="prefix"/>
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galaxyp
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diff changeset
526 <param name="missing_decoy_action" value="error"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
527 <param name="write_protein_sequence" value="false"/>
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galaxyp
parents: 11
diff changeset
528 <param name="write_protein_description" value="false"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
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diff changeset
529 <param name="keep_unreferenced_proteins" value="false"/>
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galaxyp
parents: 11
diff changeset
530 <param name="unmatched_action" value="error"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
531 <param name="aaa_max" value="4"/>
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galaxyp
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diff changeset
532 <param name="mismatches_max" value="0"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
533 <param name="IL_equivalent" value="false"/>
14
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galaxyp
parents: 13
diff changeset
534 <param name="allow_nterm_protein_cleavage" value="true"/>
13
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galaxyp
parents: 11
diff changeset
535 <section name="enzyme">
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
536 <param name="name" value="auto"/>
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galaxyp
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diff changeset
537 <param name="specificity" value="auto"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
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diff changeset
538 </section>
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galaxyp
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diff changeset
539 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
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galaxyp
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diff changeset
540 <output name="ctd_out" ftype="xml">
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
541 <assert_contents>
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diff changeset
542 <is_valid_xml/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
543 </assert_contents>
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galaxyp
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diff changeset
544 </output>
14
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galaxyp
parents: 13
diff changeset
545 <assert_stdout>
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parents: 13
diff changeset
546 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
0693b186f39e planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 5c080b1e2b99f1c88f4557e9fec8c45c9d23b906
galaxyp
parents: 13
diff changeset
547 </assert_stdout>
13
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galaxyp
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diff changeset
548 </test>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
549 <!-- TOPP_PeptideIndexer_14 -->
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
550 <test expect_num_outputs="2">
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
551 <section name="adv_opts">
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galaxyp
parents: 11
diff changeset
552 <param name="force" value="false"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
553 <param name="test" value="true"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
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parents: 11
diff changeset
554 </section>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
555 <param name="in" value="PeptideIndexer_14.idXML"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
556 <param name="fasta" value="PeptideIndexer_2.fasta"/>
14
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galaxyp
parents: 13
diff changeset
557 <output name="out" value="PeptideIndexer_14_out.idXML" compare="sim_size" delta_frac="0.7" ftype="idxml"/>
13
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galaxyp
parents: 11
diff changeset
558 <param name="decoy_string" value=""/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
559 <param name="decoy_string_position" value="prefix"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
560 <param name="missing_decoy_action" value="error"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
561 <param name="write_protein_sequence" value="true"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
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parents: 11
diff changeset
562 <param name="write_protein_description" value="false"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
563 <param name="keep_unreferenced_proteins" value="false"/>
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galaxyp
parents: 11
diff changeset
564 <param name="unmatched_action" value="error"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
565 <param name="aaa_max" value="4"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
566 <param name="mismatches_max" value="0"/>
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galaxyp
parents: 11
diff changeset
567 <param name="IL_equivalent" value="false"/>
14
0693b186f39e planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 5c080b1e2b99f1c88f4557e9fec8c45c9d23b906
galaxyp
parents: 13
diff changeset
568 <param name="allow_nterm_protein_cleavage" value="true"/>
13
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
569 <section name="enzyme">
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galaxyp
parents: 11
diff changeset
570 <param name="name" value="auto"/>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
galaxyp
parents: 11
diff changeset
571 <param name="specificity" value="none"/>
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galaxyp
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572 </section>
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573 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
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574 <output name="ctd_out" ftype="xml">
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
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575 <assert_contents>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
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576 <is_valid_xml/>
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577 </assert_contents>
d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
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578 </output>
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579 <assert_stdout>
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580 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
0693b186f39e planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 5c080b1e2b99f1c88f4557e9fec8c45c9d23b906
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581 </assert_stdout>
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d6aca689dd48 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
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582 </test>
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c4a73c6a8dca "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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583 </tests>
c4a73c6a8dca "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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584 <help><![CDATA[Refreshes the protein references for all peptide hits.
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585
539a3a4dcc9e planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit fb85d488133bb2b5f483b52b2db0ac66038fafb8
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586
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587 For more information, visit https://openms.de/doxygen/release/3.1.0/html/TOPP_PeptideIndexer.html]]></help>
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588 <expand macro="references"/>
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589 </tool>