Mercurial > repos > galaxyp > openms_externalcalibration

annotate ExternalCalibration.xml @ 13:a4a8014f548a draft

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"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
author galaxyp
date Thu, 27 Aug 2020 23:23:46 +0000
parents edc3a71b9616
children 4a80b59e6741
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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: [Signal processing and preprocessing]-->
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4 <tool id="ExternalCalibration" name="ExternalCalibration" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@" profile="20.05">
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5 <description>Applies an external mass recalibration.</description>
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6 <macros>
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7 <token name="@EXECUTABLE@">ExternalCalibration</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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13 <expand macro="stdio"/>
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14 <command detect_errors="exit_code"><![CDATA[@QUOTE_FOO@
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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
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19 mkdir in &&
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20 ln -s '$in' 'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)' &&
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21 mkdir out &&
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23 ## Main program call
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25 set -o pipefail &&
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26 @EXECUTABLE@ -write_ctd ./ &&
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27 python3 '$__tool_directory__/fill_ctd.py' '@EXECUTABLE@.ctd' '$args_json' '$hardcoded_json' &&
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28 @EXECUTABLE@ -ini @EXECUTABLE@.ctd
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29 -in
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30 'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)'
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31 -out
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32 'out/output.${gxy2omsext("mzml")}'
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33
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34 ## Postprocessing
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35 && mv 'out/output.${gxy2omsext("mzml")}' '$out'
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36 #if "ctd_out_FLAG" in $OPTIONAL_OUTPUTS
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37 && mv '@EXECUTABLE@.ctd' '$ctd_out'
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38 #end if]]></command>
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39 <configfiles>
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40 <inputs name="args_json" data_style="paths"/>
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41 <configfile name="hardcoded_json"><![CDATA[{"log": "log.txt", "threads": "\${GALAXY_SLOTS:-1}", "no_progress": true}]]></configfile>
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42 </configfiles>
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43 <inputs>
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44 <param name="in" argument="-in" type="data" format="mzml" optional="false" label="Input peak file" help=" select mzml data sets(s)"/>
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45 <param name="offset" argument="-offset" type="float" optional="true" value="0.0" label="Mass offset in ppm" help=""/>
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46 <param name="slope" argument="-slope" type="float" optional="true" value="0.0" label="Slope (dependent on m/z)" help=""/>
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47 <param name="power" argument="-power" type="float" optional="true" value="0.0" label="Power (dependent on m/z)" help=""/>
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48 <param name="ms_level" argument="-ms_level" type="text" optional="true" value="1 2 3" label="Target MS levels to apply the transformation onto" help="Scans with other levels remain unchanged (space separated list, in order to allow for spaces in list items surround them by single quotes)">
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49 <expand macro="list_integer_valsan"/>
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50 </param>
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51 <expand macro="adv_opts_macro">
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52 <param name="force" argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overwrite tool specific checks" help=""/>
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53 <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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54 <expand macro="list_string_san"/>
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55 </param>
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56 </expand>
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57 <param name="OPTIONAL_OUTPUTS" type="select" multiple="true" label="Optional outputs" optional="true">
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58 <option value="ctd_out_FLAG">Output used ctd (ini) configuration file</option>
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59 </param>
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60 </inputs>
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61 <outputs>
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62 <data name="out" label="${tool.name} on ${on_string}: out" format="mzml"/>
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63 <data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd">
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64 <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter>
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65 </data>
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66 </outputs>
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67 <tests>
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68 <expand macro="autotest_ExternalCalibration"/>
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69 <expand macro="manutest_ExternalCalibration"/>
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70 </tests>
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71 <help><![CDATA[Applies an external mass recalibration.
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73
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74 For more information, visit http://www.openms.de/documentation/TOPP_ExternalCalibration.html]]></help>
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75 <expand macro="references"/>
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76 </tool>