annotate mqppep_anova.R @ 0:c1403d18c189 draft

"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
author eschen42
date Mon, 07 Mar 2022 19:05:01 +0000
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children d4d531006735
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c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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1 #!/usr/bin/env Rscript
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2 # libraries
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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3 library(optparse)
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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4 library(data.table)
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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5 library(stringr)
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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6 #library(ggplot2)
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7 #library(PTXQC)
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8 #require(PTXQC)
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9 #require(methods)
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10 # bioconductor-preprocesscore
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11 # - libopenblas
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12 # - r-data.table
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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13 # - r-rmarkdown
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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14 # - r-ggplot2
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15 # - texlive-core
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16
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17 # ref for parameterizing Rmd document: https://stackoverflow.com/a/37940285
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18
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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19 # parse options
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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20 option_list <- list(
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21 # <param name="inputFilename" type="data" format="tabular" label="Phosphopeptide Intensities" help="First column label 'Phosphopeptide'; sample-intensities must begin in column 10 and must have column labels to match argument regexSampleNames"/>
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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22 make_option(
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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23 c("-i", "--inputFile"),
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24 action = "store",
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25 default = NA,
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26 type = "character",
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27 help = "Phosphopeptide Intensities sparse input file path"
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28 ),
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29 make_option(
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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30 c("-a", "--alphaFile"),
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31 action = "store",
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32 default = NA,
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33 type = "character",
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34 help = "List of alpha cutoff values for significance testing; path to text file having one column and no header"
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35 ),
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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36 make_option(
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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37 c("-f", "--firstDataColumn"),
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38 action = "store",
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39 default = "10",
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40 type = "character",
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41 help = "First column of intensity values"
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42 ),
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43 make_option( # imputationMethod <- c("group-median","median","mean","random")[1]
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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44 c("-m", "--imputationMethod"),
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45 action = "store",
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46 default = "group-median",
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47 type = "character",
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48 help = "Method for missing-value imputation, one of c('group-median','median','mean','random')"
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49 ),
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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50 make_option(
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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51 c("-p", "--meanPercentile"),
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52 action = "store",
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53 default = 3,
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54 type = "integer",
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55 help = "Mean percentile for randomly generated imputed values; range [1,99]"
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56 ),
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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57 make_option(
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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58 c("-d", "--sdPercentile"),
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59 action = "store",
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60 default = 3,
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61 type = "double",
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62 help = "Adjustment value for standard deviation of randomly generated imputed values; real"
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63 ),
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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64 make_option(
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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65 c("-s", "--regexSampleNames"),
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66 action = "store",
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67 default = "\\.(\\d+)[A-Z]$",
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68 type = "character",
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69 help = "Regular expression extracting sample-names"
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70 ),
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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71 make_option(
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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72 c("-g", "--regexSampleGrouping"),
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73 action = "store",
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74 default = "(\\d+)",
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75 type = "character",
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76 help = "Regular expression extracting sample-group from an extracted sample-name"
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77 ),
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78 # <data name="imputed_data_file" format="tabular" label="${input_file.name}.intensities_${imputation.imputation_method}-imputed_QN_LT" ></data>
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79 make_option(
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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80 c("-o", "--imputedDataFile"),
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81 action = "store",
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82 default = "output_imputed.tsv",
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83 type = "character",
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84 help = "Imputed Phosphopeptide Intensities output file path"
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85 ),
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86 # <data name="report_file" format="html" label="report (download/unzip to view)" ></data>
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87 make_option(
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88 c("-r", "--reportFile"),
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89 action = "store",
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90 default = "QuantDataProcessingScript.html",
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91 type = "character",
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92 help = "HTML report file path"
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93 )
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94 )
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95 args <- parse_args(OptionParser(option_list=option_list))
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96 # Check parameter values
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97
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98 if (! file.exists(args$inputFile)) {
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99 stop((paste("Input file", args$inputFile, "does not exist")))
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100 }
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101 inputFile <- args$inputFile
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102 alphaFile <- args$alphaFile
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103 firstDataColumn <- args$firstDataColumn
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104 imputationMethod <- args$imputationMethod
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105 meanPercentile <- args$meanPercentile
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106 sdPercentile <- args$sdPercentile
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107
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108 regexSampleNames <- gsub('^[ \t\n]*', '' , readChar(args$regexSampleNames, 1000))
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109 regexSampleNames <- gsub('[ \t\n]*$', '' , regexSampleNames )
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110 # regexSampleNames <- gsub('\\\\' , '@@', regexSampleNames )
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111 # regexSampleNames <- gsub('@@' , '\\', regexSampleNames )
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112 cat(regexSampleNames)
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113 cat('\n')
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114
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115 regexSampleGrouping <- gsub('^[ \t\n]*', '', readChar(args$regexSampleGrouping, 1000))
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116 regexSampleGrouping <- gsub('[ \t\n]*$', '', regexSampleGrouping )
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117 # regexSampleGrouping <- gsub('\\\\' , '@@', regexSampleGrouping )
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118 cat(regexSampleGrouping)
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119 cat('\n')
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120
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121 # regexSampleGrouping <- gsub('@@' , '\\', regexSampleGrouping )
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122 imputedDataFilename <- args$imputedDataFile
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123 reportFileName <- args$reportFile
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124
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125 print("args is:")
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126 cat(str(args))
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127
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128 print("regexSampleNames is:")
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129 cat(str(regexSampleNames))
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130
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131 print("regexSampleGrouping is:")
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132 cat(str(regexSampleGrouping))
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133
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134 # from: https://github.com/molgenis/molgenis-pipelines/wiki/How-to-source-another_file.R-from-within-your-R-script
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135 LocationOfThisScript = function() # Function LocationOfThisScript returns the location of this .R script (may be needed to source other files in same dir)
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136 {
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137 this.file = NULL
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138 # This file may be 'sourced'
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139 for (i in -(1:sys.nframe())) {
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140 if (identical(sys.function(i), base::source)) this.file = (normalizePath(sys.frame(i)$ofile))
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141 }
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142
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143 if (!is.null(this.file)) return(dirname(this.file))
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144
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145 # But it may also be called from the command line
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146 cmd.args = commandArgs(trailingOnly = FALSE)
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147 cmd.args.trailing = commandArgs(trailingOnly = TRUE)
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148 cmd.args = cmd.args[seq.int(from=1, length.out=length(cmd.args) - length(cmd.args.trailing))]
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149 res = gsub("^(?:--file=(.*)|.*)$", "\\1", cmd.args)
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150
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151 # If multiple --file arguments are given, R uses the last one
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152 res = tail(res[res != ""], 1)
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153 if (0 < length(res)) return(dirname(res))
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154
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155 # Both are not the case. Maybe we are in an R GUI?
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156 return(NULL)
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157 }
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158
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159 script.dir <- LocationOfThisScript()
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160
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161 rmarkdown_params <- list(
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162 inputFile = inputFile
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163 , alphaFile = alphaFile
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164 , firstDataColumn = firstDataColumn
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165 , imputationMethod = imputationMethod
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166 , meanPercentile = meanPercentile
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167 , sdPercentile = sdPercentile
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168 , regexSampleNames = regexSampleNames
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169 , regexSampleGrouping = regexSampleGrouping
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170 , imputedDataFilename = imputedDataFilename
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171 )
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172
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173 str(rmarkdown_params)
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174
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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175 # BUG
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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176 # Must render as HTML for the time being until this issue is resolved:
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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177 # https://github.com/conda-forge/texlive-core-feedstock/issues/19
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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178 # for reason:
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179 # "The following dependencies are not available in conda"
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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180 # reported here:
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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181 # https://github.com/ami-iit/bipedal-locomotion-framework/pull/457/commits/e98ccef8c8cb63e207df36628192af6ce22feb13
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182
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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183 # freeze the random number generator so the same results will be produced from run to run
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184 set.seed(28571)
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185
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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186 rmarkdown::render(
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187 input = paste(script.dir, "mqppep_anova_script.Rmd", sep="/")
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188 , output_format = rmarkdown::html_document(pandoc_args = "--self-contained")
c1403d18c189 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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189 , output_file = reportFileName
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190 , params = rmarkdown_params
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191 )