Mercurial > repos > galaxyp > openms_percolatoradapter

annotate PercolatorAdapter.xml @ 6:147aaac03456 draft

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"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
author galaxyp
date Tue, 13 Oct 2020 20:29:32 +0000
parents e7881a82b56d
children 016964c597f5
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0e7bb87aa55c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
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1 <?xml version='1.0' encoding='UTF-8'?>
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2 <!--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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3 <!--Proposed Tool Section: [ID Processing]-->
4
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4 <tool id="PercolatorAdapter" name="PercolatorAdapter" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@" profile="20.05">
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5 <description>Facilitate input to Percolator and reintegrate.</description>
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6 <macros>
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7 <token name="@EXECUTABLE@">PercolatorAdapter</token>
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8 <import>macros.xml</import>
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9 <import>macros_autotest.xml</import>
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10 <import>macros_test.xml</import>
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11 </macros>
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12 <expand macro="requirements"/>
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0e7bb87aa55c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
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13 <expand macro="stdio"/>
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14 <command detect_errors="exit_code"><![CDATA[@QUOTE_FOO@
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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15 @EXT_FOO@
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16 #import re
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17
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18 ## Preprocessing
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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19 #if $in:
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20 mkdir in &&
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21 ${ ' '.join(["ln -s '%s' 'in/%s.%s' &&" % (_, re.sub('[^\w\-_]', '_', _.element_identifier), $gxy2omsext(_.ext)) for _ in $in if _]) }
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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22 #end if
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23 #if $in_decoy:
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24 mkdir in_decoy &&
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25 ${ ' '.join(["ln -s '%s' 'in_decoy/%s.%s' &&" % (_, re.sub('[^\w\-_]', '_', _.element_identifier), $gxy2omsext(_.ext)) for _ in $in_decoy if _]) }
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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26 #end if
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27 #if $in_osw:
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28 mkdir in_osw &&
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29 ln -s '$in_osw' 'in_osw/${re.sub("[^\w\-_]", "_", $in_osw.element_identifier)}.$gxy2omsext($in_osw.ext)' &&
0
0e7bb87aa55c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
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30 #end if
4
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31 mkdir out &&
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32 #if "out_pin_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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33 mkdir out_pin &&
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34 #end if
6
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35 #if "out_pout_target_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
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36 mkdir out_pout_target &&
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37 #end if
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38 #if "out_pout_decoy_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
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39 mkdir out_pout_decoy &&
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40 #end if
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41 #if "out_pout_target_proteins_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
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42 mkdir out_pout_target_proteins &&
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43 #end if
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44 #if "out_pout_decoy_proteins_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
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45 mkdir out_pout_decoy_proteins &&
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46 #end if
4
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47 #if "weights_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
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48 mkdir weights &&
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49 #end if
4
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50 #if $adv_opts_cond.adv_opts_selector=='advanced':
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51 #if $adv_opts_cond.init_weights:
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52 mkdir adv_opts_cond.init_weights &&
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53 ln -s '$adv_opts_cond.init_weights' 'adv_opts_cond.init_weights/${re.sub("[^\w\-_]", "_", $adv_opts_cond.init_weights.element_identifier)}.$gxy2omsext($adv_opts_cond.init_weights.ext)' &&
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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54 #end if
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55 #if $adv_opts_cond.fasta:
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56 mkdir adv_opts_cond.fasta &&
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57 ln -s '$adv_opts_cond.fasta' 'adv_opts_cond.fasta/${re.sub("[^\w\-_]", "_", $adv_opts_cond.fasta.element_identifier)}.$gxy2omsext($adv_opts_cond.fasta.ext)' &&
0
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58 #end if
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59 #end if
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60
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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61 ## Main program call
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62
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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63 set -o pipefail &&
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64 @EXECUTABLE@ -write_ctd ./ &&
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65 python3 '$__tool_directory__/fill_ctd.py' '@EXECUTABLE@.ctd' '$args_json' '$hardcoded_json' &&
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66 @EXECUTABLE@ -ini @EXECUTABLE@.ctd
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67 #if $in:
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68 -in
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69 ${' '.join(["'in/%s.%s'"%(re.sub('[^\w\-_]', '_', _.element_identifier), $gxy2omsext(_.ext)) for _ in $in if _])}
0
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70 #end if
4
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71 #if $in_decoy:
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72 -in_decoy
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73 ${' '.join(["'in_decoy/%s.%s'"%(re.sub('[^\w\-_]', '_', _.element_identifier), $gxy2omsext(_.ext)) for _ in $in_decoy if _])}
0
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74 #end if
4
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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75 #if $in_osw:
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76 -in_osw
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77 'in_osw/${re.sub("[^\w\-_]", "_", $in_osw.element_identifier)}.$gxy2omsext($in_osw.ext)'
0
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78 #end if
4
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79 -out
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80 'out/output.${out_type}'
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
parents: 2
diff changeset
81 #if "out_pin_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
parents: 2
diff changeset
82 -out_pin
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
parents: 2
diff changeset
83 'out_pin/output.${gxy2omsext("tabular")}'
0
0e7bb87aa55c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
84 #end if
6
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
85 #if "out_pout_target_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
86 -out_pout_target
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
87 'out_pout_target/output.${gxy2omsext("tabular")}'
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
88 #end if
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
89 #if "out_pout_decoy_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
90 -out_pout_decoy
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
91 'out_pout_decoy/output.${gxy2omsext("tabular")}'
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
92 #end if
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
93 #if "out_pout_target_proteins_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
94 -out_pout_target_proteins
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
95 'out_pout_target_proteins/output.${gxy2omsext("tabular")}'
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
96 #end if
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
97 #if "out_pout_decoy_proteins_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
98 -out_pout_decoy_proteins
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
99 'out_pout_decoy_proteins/output.${gxy2omsext("tabular")}'
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
100 #end if
4
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
parents: 2
diff changeset
101 #if "weights_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
parents: 2
diff changeset
102 -weights
6
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
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diff changeset
103 'weights/output.${gxy2omsext("tabular")}'
0
0e7bb87aa55c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
104 #end if
4
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
parents: 2
diff changeset
105 #if $adv_opts_cond.adv_opts_selector=='advanced':
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
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diff changeset
106 #if $adv_opts_cond.init_weights:
6
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
107 -init_weights
4
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
parents: 2
diff changeset
108 'adv_opts_cond.init_weights/${re.sub("[^\w\-_]", "_", $adv_opts_cond.init_weights.element_identifier)}.$gxy2omsext($adv_opts_cond.init_weights.ext)'
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
parents: 2
diff changeset
109 #end if
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
parents: 2
diff changeset
110 #if $adv_opts_cond.fasta:
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
parents: 2
diff changeset
111 -fasta
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
parents: 2
diff changeset
112 'adv_opts_cond.fasta/${re.sub("[^\w\-_]", "_", $adv_opts_cond.fasta.element_identifier)}.$gxy2omsext($adv_opts_cond.fasta.ext)'
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
parents: 2
diff changeset
113 #end if
0
0e7bb87aa55c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
114 #end if
4
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
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diff changeset
115 #if len(str($OPTIONAL_OUTPUTS).split(',')) == 0
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
parents: 2
diff changeset
116 | tee '$stdout'
0
0e7bb87aa55c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
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parents:
diff changeset
117 #end if
4
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
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diff changeset
118
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
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119 ## Postprocessing
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
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120 && mv 'out/output.${out_type}' '$out'
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
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diff changeset
121 #if "out_pin_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
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122 && mv 'out_pin/output.${gxy2omsext("tabular")}' '$out_pin'
0
0e7bb87aa55c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
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123 #end if
6
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
parents: 4
diff changeset
124 #if "out_pout_target_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
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125 && mv 'out_pout_target/output.${gxy2omsext("tabular")}' '$out_pout_target'
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
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126 #end if
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
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127 #if "out_pout_decoy_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
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diff changeset
128 && mv 'out_pout_decoy/output.${gxy2omsext("tabular")}' '$out_pout_decoy'
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
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129 #end if
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
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130 #if "out_pout_target_proteins_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
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diff changeset
131 && mv 'out_pout_target_proteins/output.${gxy2omsext("tabular")}' '$out_pout_target_proteins'
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
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132 #end if
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
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133 #if "out_pout_decoy_proteins_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
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diff changeset
134 && mv 'out_pout_decoy_proteins/output.${gxy2omsext("tabular")}' '$out_pout_decoy_proteins'
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
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135 #end if
4
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
parents: 2
diff changeset
136 #if "weights_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
6
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
galaxyp
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diff changeset
137 && mv 'weights/output.${gxy2omsext("tabular")}' '$weights'
0
0e7bb87aa55c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
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diff changeset
138 #end if
4
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
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139 #if "ctd_out_FLAG" in $OPTIONAL_OUTPUTS
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
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diff changeset
140 && mv '@EXECUTABLE@.ctd' '$ctd_out'
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
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diff changeset
141 #end if]]></command>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
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142 <configfiles>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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143 <inputs name="args_json" data_style="paths"/>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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144 <configfile name="hardcoded_json"><![CDATA[{"percolator_executable": "percolator", "log": "log.txt", "threads": "\${GALAXY_SLOTS:-1}", "no_progress": true}]]></configfile>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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145 </configfiles>
0
0e7bb87aa55c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
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146 <inputs>
4
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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147 <param name="in" argument="-in" type="data" format="idxml,mzid" multiple="true" optional="true" label="Input file(s)" help=" select idxml,mzid data sets(s)"/>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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148 <param name="in_decoy" argument="-in_decoy" type="data" format="idxml,mzid" multiple="true" optional="true" label="Input decoy file(s) in case of separate searches" help=" select idxml,mzid data sets(s)"/>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
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diff changeset
149 <param name="in_osw" argument="-in_osw" type="data" format="osw" optional="true" label="Input file in OSW format" help=" select osw data sets(s)"/>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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150 <param name="out_type" argument="-out_type" display="radio" type="select" optional="false" label="Output file type -- default: determined from file extension or content" help="">
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
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diff changeset
151 <option value="idXML">idxml</option>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
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152 <option value="mzid">mzid</option>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
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153 <option value="osw">osw</option>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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154 <expand macro="list_string_san"/>
0
0e7bb87aa55c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
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diff changeset
155 </param>
4
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
galaxyp
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156 <param name="enzyme" argument="-enzyme" type="select" optional="false" label="Type of enzyme: no_enzyme,elastase,pepsin,proteinasek,thermolysin,chymotrypsin,lys-n,lys-c,arg-c,asp-n,glu-c,trypsin,trypsinp" help="">
0
0e7bb87aa55c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
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diff changeset
157 <option value="no_enzyme">no_enzyme</option>
0e7bb87aa55c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
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diff changeset
158 <option value="elastase">elastase</option>
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159 <option value="pepsin">pepsin</option>
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160 <option value="proteinasek">proteinasek</option>
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161 <option value="thermolysin">thermolysin</option>
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162 <option value="chymotrypsin">chymotrypsin</option>
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163 <option value="lys-n">lys-n</option>
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164 <option value="lys-c">lys-c</option>
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165 <option value="arg-c">arg-c</option>
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166 <option value="asp-n">asp-n</option>
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167 <option value="glu-c">glu-c</option>
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168 <option value="trypsin" selected="true">trypsin</option>
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169 <option value="trypsinp">trypsinp</option>
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170 <expand macro="list_string_san"/>
0
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171 </param>
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172 <param name="peptide_level_fdrs" argument="-peptide_level_fdrs" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Calculate peptide-level FDRs instead of PSM-level FDRs" help=""/>
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173 <param name="protein_level_fdrs" argument="-protein_level_fdrs" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Use the picked protein-level FDR to infer protein probabilities" help="Use the -fasta option and -decoy_pattern to set the Fasta file and decoy pattern"/>
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174 <param name="osw_level" argument="-osw_level" type="text" optional="true" value="ms2" label="OSW: Either &quot;ms1&quot;, &quot;ms2&quot; or &quot;transition&quot;; the data level selected for scoring" help="">
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175 <expand macro="list_string_san"/>
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176 </param>
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177 <param name="score_type" argument="-score_type" display="radio" type="select" optional="false" label="Type of the peptide main score" help="">
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178 <option value="q-value" selected="true">q-value</option>
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179 <option value="pep">pep</option>
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180 <option value="svm">svm</option>
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181 <expand macro="list_string_san"/>
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182 </param>
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183 <expand macro="adv_opts_macro">
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184 <param name="generic_feature_set" argument="-generic_feature_set" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Use only generic" help="(i.e. not search engine specific) features. Generating search engine specific features for common search engines by PSMFeatureExtractor will typically boost the identification rate significantly"/>
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185 <param name="subset_max_train" argument="-subset_max_train" type="integer" optional="true" value="0" label="Only train an SVM on a subset of &lt;x&gt; PSMs, and use the resulting score vector to evaluate the other PSMs" help="Recommended when analyzing huge numbers (&gt;1 million) of PSMs. When set to 0, all PSMs are used for training as normal"/>
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186 <param name="cpos" argument="-cpos" type="float" optional="true" value="0.0" label="Cpos, penalty for mistakes made on positive examples" help="Set by cross validation if not specified"/>
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187 <param name="cneg" argument="-cneg" type="float" optional="true" value="0.0" label="Cneg, penalty for mistakes made on negative examples" help="Set by cross validation if not specified"/>
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188 <param name="testFDR" argument="-testFDR" type="float" optional="true" value="0.01" label="False discovery rate threshold for evaluating best cross validation result and the reported end result" help=""/>
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189 <param name="trainFDR" argument="-trainFDR" type="float" optional="true" value="0.01" label="False discovery rate threshold to define positive examples in training" help="Set to testFDR if 0"/>
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190 <param name="maxiter" argument="-maxiter" type="integer" optional="true" value="10" label="Maximal number of iterations" help=""/>
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191 <param name="nested_xval_bins" argument="-nested_xval_bins" type="integer" optional="true" value="1" label="Number of nested cross-validation bins in the 3 splits" help=""/>
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192 <param name="quick_validation" argument="-quick_validation" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Quicker execution by reduced internal cross-validation" help=""/>
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193 <param name="init_weights" argument="-init_weights" type="data" format="tabular" optional="true" label="Read initial weights to the given file" help=" select tabular data sets(s)"/>
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194 <param name="static" argument="-static" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Use static model (requires init-weights parameter to be set)" help=""/>
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195 <param name="default_direction" argument="-default_direction" type="text" optional="true" value="" label="The most informative feature given as the feature name, can be negated to indicate that a lower value is bette" help="">
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196 <expand macro="list_string_san"/>
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197 </param>
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198 <param name="verbose" argument="-verbose" type="integer" optional="true" value="2" label="Set verbosity of output: 0=no processing info, 5=all" help=""/>
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199 <param name="unitnorm" argument="-unitnorm" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Use unit normalization [0-1] instead of standard deviation normalization" help=""/>
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200 <param name="test_each_iteration" argument="-test_each_iteration" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Measure performance on test set each iteration" help=""/>
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201 <param name="override" argument="-override" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Override error check and do not fall back on default score vector in case of suspect score vecto" help=""/>
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202 <param name="seed" argument="-seed" type="integer" optional="true" value="1" label="Setting seed of the random number generato" help=""/>
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203 <param name="doc" argument="-doc" type="integer" optional="true" value="0" label="Include description of correct features" help=""/>
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204 <param name="klammer" argument="-klammer" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Retention time features calculated as in Klammer et al" help="Only available if -doc is set"/>
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205 <param name="fasta" argument="-fasta" type="data" format="fasta" optional="true" label="Provide the fasta file as the argument to this flag, which will be used for protein grouping based on an in-silico digest (only valid if option -protein_level_fdrs is active)" help=" select fasta data sets(s)"/>
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206 <param name="decoy_pattern" argument="-decoy_pattern" type="text" optional="true" value="random" label="Define the text pattern to identify the decoy proteins and/or PSMs, set this up if the label that identifies the decoys in the database is not the default (Only valid if option -protein_level_fdrs is active)" help="">
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207 <expand macro="list_string_san"/>
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208 </param>
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209 <param name="post_processing_tdc" argument="-post_processing_tdc" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Use target-decoy competition to assign q-values and PEPs" help=""/>
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210 <param name="train_best_positive" argument="-train_best_positive" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Enforce that, for each spectrum, at most one PSM is included in the positive set during each training iteration" help="If the user only provides one PSM per spectrum, this filter will have no effect"/>
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211 <param name="ipf_max_peakgroup_pep" argument="-ipf_max_peakgroup_pep" type="float" optional="true" value="0.7" label="OSW/IPF: Assess transitions only for candidate peak groups until maximum posterior error probability" help=""/>
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212 <param name="ipf_max_transition_isotope_overlap" argument="-ipf_max_transition_isotope_overlap" type="float" optional="true" value="0.5" label="OSW/IPF: Maximum isotope overlap to consider transitions in IPF" help=""/>
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213 <param name="ipf_min_transition_sn" argument="-ipf_min_transition_sn" type="float" optional="true" value="0.0" label="OSW/IPF: Minimum log signal-to-noise level to consider transitions in IPF" help="Set -1 to disable this filter"/>
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214 <param name="force" argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overrides tool-specific checks" help=""/>
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215 <param name="test" argument="-test" type="hidden" optional="true" value="False" label="Enables the test mode (needed for internal use only)" help="">
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216 <expand macro="list_string_san"/>
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217 </param>
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218 </expand>
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219 <param name="OPTIONAL_OUTPUTS" type="select" optional="true" multiple="true" label="Optional outputs">
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220 <option value="out_pin_FLAG">out_pin (Write pin file (e.g., for debugging))</option>
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221 <option value="out_pout_target_FLAG">out_pout_target (Write pout file (e.g., for debugging))</option>
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222 <option value="out_pout_decoy_FLAG">out_pout_decoy (Write pout file (e.g., for debugging))</option>
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223 <option value="out_pout_target_proteins_FLAG">out_pout_target_proteins (Write pout file (e.g., for debugging))</option>
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224 <option value="out_pout_decoy_proteins_FLAG">out_pout_decoy_proteins (Write pout file (e.g., for debugging))</option>
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225 <option value="weights_FLAG">weights (Output final weights to the given file)</option>
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226 <option value="ctd_out_FLAG">Output used ctd (ini) configuration file</option>
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227 </param>
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228 </inputs>
0e7bb87aa55c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
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229 <outputs>
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230 <data name="out" label="${tool.name} on ${on_string}: out">
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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231 <change_format>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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232 <when input="out_type" value="idXML" format="idxml"/>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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233 <when input="out_type" value="mzid" format="mzid"/>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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234 <when input="out_type" value="osw" format="osw"/>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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235 </change_format>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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236 </data>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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237 <data name="out_pin" label="${tool.name} on ${on_string}: out_pin" format="tabular">
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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238 <filter>OPTIONAL_OUTPUTS is not None and "out_pin_FLAG" in OPTIONAL_OUTPUTS</filter>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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239 </data>
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240 <data name="out_pout_target" label="${tool.name} on ${on_string}: out_pout_target" format="tabular">
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
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241 <filter>OPTIONAL_OUTPUTS is not None and "out_pout_target_FLAG" in OPTIONAL_OUTPUTS</filter>
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
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242 </data>
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
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243 <data name="out_pout_decoy" label="${tool.name} on ${on_string}: out_pout_decoy" format="tabular">
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
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244 <filter>OPTIONAL_OUTPUTS is not None and "out_pout_decoy_FLAG" in OPTIONAL_OUTPUTS</filter>
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
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245 </data>
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
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246 <data name="out_pout_target_proteins" label="${tool.name} on ${on_string}: out_pout_target_proteins" format="tabular">
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
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247 <filter>OPTIONAL_OUTPUTS is not None and "out_pout_target_proteins_FLAG" in OPTIONAL_OUTPUTS</filter>
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248 </data>
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249 <data name="out_pout_decoy_proteins" label="${tool.name} on ${on_string}: out_pout_decoy_proteins" format="tabular">
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250 <filter>OPTIONAL_OUTPUTS is not None and "out_pout_decoy_proteins_FLAG" in OPTIONAL_OUTPUTS</filter>
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251 </data>
147aaac03456 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
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252 <data name="weights" label="${tool.name} on ${on_string}: weights" format="tabular">
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253 <filter>OPTIONAL_OUTPUTS is not None and "weights_FLAG" in OPTIONAL_OUTPUTS</filter>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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254 </data>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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255 <data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd">
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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256 <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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257 </data>
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258 </outputs>
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259 <tests>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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260 <expand macro="autotest_PercolatorAdapter"/>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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261 <expand macro="manutest_PercolatorAdapter"/>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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262 </tests>
e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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263 <help><![CDATA[Facilitate input to Percolator and reintegrate.
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264
0e7bb87aa55c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
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265
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266 For more information, visit http://www.openms.de/doxygen/release/2.6.0/html/TOPP_PercolatorAdapter.html]]></help>
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e7881a82b56d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
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267 <expand macro="references"/>
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268 </tool>