Mercurial > repos > lecorguille > xcms_fillpeaks
comparison macros_xcms.xml @ 46:871ffc15a6da draft
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
| author | workflow4metabolomics |
|---|---|
| date | Mon, 15 Jul 2024 15:52:02 +0000 |
| parents | 1a711c1b8b1f |
| children | 1241183c8ae0 |
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| 45:1a711c1b8b1f | 46:871ffc15a6da |
|---|---|
| 1 <?xml version="1.0"?> | 1 <?xml version="1.0"?> |
| 2 <macros> | 2 <macros> |
| 3 | 3 |
| 4 <token name="@TOOL_VERSION@">3.12.0</token> | 4 <token name="@TOOL_VERSION@">3.12.0</token> |
| 5 <token name="@VERSION_SUFFIX@">1</token> | |
| 6 <token name="@PROFILE@">21.09</token> | |
| 5 <xml name="requirements"> | 7 <xml name="requirements"> |
| 6 <requirements> | 8 <requirements> |
| 7 <requirement type="package" version="@TOOL_VERSION@">bioconductor-xcms</requirement> | 9 <requirement type="package" version="@TOOL_VERSION@">bioconductor-xcms</requirement> |
| 8 <requirement type="package" version="1.1_5">r-batch</requirement> | 10 <requirement type="package" version="1.1_5">r-batch</requirement> |
| 9 <requirement type="package" version="1.1_2">r-rcolorbrewer</requirement> | 11 <requirement type="package" version="1.1_2">r-rcolorbrewer</requirement> |
| 15 <!-- FILE_LOAD for planemo test --> | 17 <!-- FILE_LOAD for planemo test --> |
| 16 <token name="@COMMAND_FILE_LOAD@"> | 18 <token name="@COMMAND_FILE_LOAD@"> |
| 17 #if $file_load_section.file_load_conditional.file_load_select == "yes": | 19 #if $file_load_section.file_load_conditional.file_load_select == "yes": |
| 18 #if $file_load_section.file_load_conditional.input[0].is_of_type("mzxml") or $file_load_section.file_load_conditional.input[0].is_of_type("mzml") or $file_load_section.file_load_conditional.input[0].is_of_type("mzdata") or $file_load_section.file_load_conditional.input[0].is_of_type("netcdf"): | 20 #if $file_load_section.file_load_conditional.input[0].is_of_type("mzxml") or $file_load_section.file_load_conditional.input[0].is_of_type("mzml") or $file_load_section.file_load_conditional.input[0].is_of_type("mzdata") or $file_load_section.file_load_conditional.input[0].is_of_type("netcdf"): |
| 19 #set singlefile_galaxyPath = '|'.join( [ str( $single_file ) for $single_file in $file_load_section.file_load_conditional.input ] ) | 21 #set singlefile_galaxyPath = '|'.join( [ str( $single_file ) for $single_file in $file_load_section.file_load_conditional.input ] ) |
| 20 #set singlefile_sampleName = '|'.join( [ str( $single_file.name ) for $single_file in $file_load_section.file_load_conditional.input ] ) | 22 #set singlefile_sampleName = '|'.join( [ str( $single_file.element_identifier ) for $single_file in $file_load_section.file_load_conditional.input ] ) |
| 21 | 23 |
| 22 singlefile_galaxyPath '$singlefile_galaxyPath' singlefile_sampleName '$singlefile_sampleName' | 24 singlefile_galaxyPath '$singlefile_galaxyPath' singlefile_sampleName '$singlefile_sampleName' |
| 23 #else | 25 #else |
| 24 zipfile '$file_load_section.file_load_conditional.input' | 26 zipfile '$file_load_section.file_load_conditional.input' |
| 25 #end if | 27 #end if |
| 34 <option value="yes" >yes</option> | 36 <option value="yes" >yes</option> |
| 35 </param> | 37 </param> |
| 36 <when value="no"> | 38 <when value="no"> |
| 37 </when> | 39 </when> |
| 38 <when value="yes"> | 40 <when value="yes"> |
| 39 <param name="input" type="data" format="mzxml,mzml,mzdata,netcdf,no_unzip.zip,zip" multiple="true" label="File(s) from your history containing your chromatograms" help="Single file mode for the format: mzxml, mzml, mzdata and netcdf. Zip file mode for the format: no_unzip.zip, zip. See the help section below." /> | 41 <param name="input" type="data" format="mzxml,mzml,mzdata,netcdf,zip" multiple="true" label="File(s) from your history containing your chromatograms" help="Single file mode for the format: mzxml, mzml, mzdata and netcdf. Zip file mode for the format: zip. See the help section below." /> |
| 40 </when> | 42 </when> |
| 41 </conditional> | 43 </conditional> |
| 42 </section> | 44 </section> |
| 43 </xml> | 45 </xml> |
| 44 | 46 |
| 78 </section> | 80 </section> |
| 79 </xml> | 81 </xml> |
| 80 | 82 |
| 81 <!-- PEAKLIST --> | 83 <!-- PEAKLIST --> |
| 82 <token name="@COMMAND_PEAKLIST@"> | 84 <token name="@COMMAND_PEAKLIST@"> |
| 83 #if $peaklist.peaklistBool | 85 #if $peaklist.peaklistBool == 'true' |
| 84 convertRTMinute $peaklist.convertRTMinute | 86 convertRTMinute $peaklist.convertRTMinute |
| 85 numDigitsMZ $peaklist.numDigitsMZ | 87 numDigitsMZ $peaklist.numDigitsMZ |
| 86 numDigitsRT $peaklist.numDigitsRT | 88 numDigitsRT $peaklist.numDigitsRT |
| 87 intval $peaklist.intval | 89 intval $peaklist.intval |
| 88 naTOzero $peaklist.naTOzero | 90 naTOzero $peaklist.naTOzero |
| 101 <param name="naTOzero" type="boolean" checked="true" truevalue="TRUE" falsevalue="FALSE" label="If NA values remain, replace them by 0 in the dataMatrix" help="Mandatory for some of the downstream tools (data processing, statistics) that do not accept NA values"/> | 103 <param name="naTOzero" type="boolean" checked="true" truevalue="TRUE" falsevalue="FALSE" label="If NA values remain, replace them by 0 in the dataMatrix" help="Mandatory for some of the downstream tools (data processing, statistics) that do not accept NA values"/> |
| 102 </xml> | 104 </xml> |
| 103 | 105 |
| 104 <xml name="input_peaklist_section"> | 106 <xml name="input_peaklist_section"> |
| 105 <section name="peaklist" title="Peak List" expanded="True"> | 107 <section name="peaklist" title="Peak List" expanded="True"> |
| 106 <param name="peaklistBool" type="hidden" label="Get the Peak List" value="True" /> | 108 <param name="peaklistBool" type="hidden" label="Get the Peak List" value="true" /> |
| 107 <expand macro="input_peaklist"/> | 109 <expand macro="input_peaklist"/> |
| 108 </section> | 110 </section> |
| 109 </xml> | 111 </xml> |
| 110 | 112 |
| 111 <xml name="input_peaklist_conditional"> | 113 <xml name="input_peaklist_conditional"> |
| 112 <conditional name="peaklist"> | 114 <conditional name="peaklist"> |
| 113 <param name="peaklistBool" type="boolean" label="Get the Peak List" /> | 115 <param name="peaklistBool" type="select" label="Get the Peak List"> |
| 116 <option value="true">Yes</option> | |
| 117 <option value="false">No</option> | |
| 118 </param> | |
| 114 <when value="true"> | 119 <when value="true"> |
| 115 <expand macro="input_peaklist"/> | 120 <expand macro="input_peaklist"/> |
| 116 </when> | 121 </when> |
| 117 <when value="false" /> | 122 <when value="false" /> |
| 118 </conditional> | 123 </conditional> |
| 119 </xml> | 124 </xml> |
| 120 | 125 |
| 121 <xml name="output_peaklist" token_function=""> | 126 <xml name="output_peaklist" token_function=""> |
| 122 <data name="variableMetadata" format="tabular" label="${image.name[:-6]}.@FUNCTION@.variableMetadata.tsv" from_work_dir="variableMetadata.tsv" > | 127 <data name="variableMetadata" format="tabular" label="${image.name[:-6]}.@FUNCTION@.variableMetadata.tsv" from_work_dir="variableMetadata.tsv" > |
| 123 <filter>(peaklist['peaklistBool'])</filter> | 128 <filter>peaklist['peaklistBool'] == 'true'</filter> |
| 124 </data> | 129 </data> |
| 125 <data name="dataMatrix" format="tabular" label="${image.name[:-6]}.@FUNCTION@.dataMatrix.tsv" from_work_dir="dataMatrix.tsv" > | 130 <data name="dataMatrix" format="tabular" label="${image.name[:-6]}.@FUNCTION@.dataMatrix.tsv" from_work_dir="dataMatrix.tsv" > |
| 126 <filter>(peaklist['peaklistBool'])</filter> | 131 <filter>peaklist['peaklistBool'] == 'true'</filter> |
| 127 </data> | 132 </data> |
| 128 </xml> | 133 </xml> |
| 129 | 134 |
| 130 <token name="@HELP_PEAKLIST@"> | 135 <token name="@HELP_PEAKLIST@"> |
| 131 | 136 |
| 241 For details and explanations concerning all the parameters and workflow of xcms_ package, see its manual_ and this example_ | 246 For details and explanations concerning all the parameters and workflow of xcms_ package, see its manual_ and this example_ |
| 242 | 247 |
| 243 .. _xcms: https://bioconductor.org/packages/release/bioc/html/xcms.html | 248 .. _xcms: https://bioconductor.org/packages/release/bioc/html/xcms.html |
| 244 .. _manual: http://www.bioconductor.org/packages/release/bioc/manuals/xcms/man/xcms.pdf | 249 .. _manual: http://www.bioconductor.org/packages/release/bioc/manuals/xcms/man/xcms.pdf |
| 245 .. _example: https://bioconductor.org/packages/release/bioc/vignettes/xcms/inst/doc/xcms.html | 250 .. _example: https://bioconductor.org/packages/release/bioc/vignettes/xcms/inst/doc/xcms.html |
| 246 .. _News: https://bioconductor.org/packages/release/bioc/news/xcms/NEWS | 251 .. _news: https://bioconductor.org/packages/release/bioc/news/xcms/NEWS |
| 247 | 252 |
| 248 </token> | 253 </token> |
| 249 | 254 |
| 250 <token name="@HELP_XCMS_NEWVERSION_3440@"> | 255 <token name="@HELP_XCMS_NEWVERSION_3440@"> |
| 251 **Version 3.4.4.0 - 08/02/2019** | 256 **Version 3.4.4.0 - 08/02/2019** |
| 252 | 257 |
| 253 - UPGRADE: upgrade the xcms version from 3.0.0 to 3.4.4 (see XCMS News_) | 258 - UPGRADE: upgrade the xcms version from 3.0.0 to 3.4.4 (see XCMS news_) |
| 254 </token> | 259 </token> |
| 255 <token name="@HELP_XCMS_NEWVERSION_3610@"> | 260 <token name="@HELP_XCMS_NEWVERSION_3610@"> |
| 256 **Version 3.6.1+galaxy* - 03/09/2019** | 261 **Version 3.6.1+galaxy* - 03/09/2019** |
| 257 | 262 |
| 258 - UPGRADE: upgrade the xcms version from 3.4.4 to 3.6.1 (see XCMS News_) | 263 - UPGRADE: upgrade the xcms version from 3.4.4 to 3.6.1 (see XCMS news_) |
| 259 </token> | 264 </token> |
| 260 <token name="@HELP_XCMS_NEWVERSION_31200@"> | 265 <token name="@HELP_XCMS_NEWVERSION_31200@"> |
| 261 **Version 3.12.0+galaxy* - 03/03/2020** | 266 **Version 3.12.0+galaxy* - 03/03/2020** |
| 262 | 267 |
| 263 - UPGRADE: upgrade the xcms version from 3.6.1 to 3.12.0 (see XCMS News_) | 268 - UPGRADE: upgrade the xcms version from 3.6.1 to 3.12.0 (see XCMS news_) |
| 264 </token> | 269 </token> |
| 265 | 270 |
| 266 <xml name="citation"> | 271 <xml name="citation"> |
| 267 <citations> | 272 <citations> |
| 268 <citation type="doi">10.1021/ac051437y</citation> | 273 <citation type="doi">10.1021/ac051437y</citation> |
