Mercurial > repos > lecorguille > xcms_plot_chromatogram
view xcms_plot_chromatogram.r @ 0:c749bfd3410e draft
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
author | lecorguille |
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date | Tue, 18 Sep 2018 16:06:05 -0400 |
parents | |
children | 7c0cc7a3c3db |
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#!/usr/bin/env Rscript # ----- PACKAGE ----- cat("\tSESSION INFO\n") #Import the different functions source_local <- function(fname){ argv <- commandArgs(trailingOnly=FALSE); base_dir <- dirname(substring(argv[grep("--file=", argv)], 8)); source(paste(base_dir, fname, sep="/")) } source_local("lib.r") source_local("lib-xcms3.x.x.r") pkgs <- c("xcms","batch","RColorBrewer") loadAndDisplayPackages(pkgs) cat("\n\n"); # ----- ARGUMENTS ----- cat("\tARGUMENTS INFO\n") args = parseCommandArgs(evaluate=FALSE) #interpretation of arguments given in command line as an R list of objects write.table(as.matrix(args), col.names=F, quote=F, sep='\t') cat("\n\n") # ----- PROCESSING INFILE ----- cat("\tARGUMENTS PROCESSING INFO\n") cat("\n\n") # ----- ARGUMENTS PROCESSING ----- cat("\tINFILE PROCESSING INFO\n") mergeXDataReturn <- mergeXData(args) xdata <- mergeXDataReturn$xdata singlefile <- mergeXDataReturn$singlefile md5sumList <- mergeXDataReturn$md5sumList sampleNamesList <- mergeXDataReturn$sampleNamesList chromTIC <- mergeXDataReturn$chromTIC chromBPI <- mergeXDataReturn$chromBPI chromTIC_adjusted <- mergeXDataReturn$chromTIC_adjusted chromBPI_adjusted <- mergeXDataReturn$chromBPI_adjusted cat("\n\n") # ----- MAIN PROCESSING INFO ----- cat("\tMAIN PROCESSING INFO\n") cat("\t\tDRAW GRAPHICS\n") if (!is.null(chromTIC) || is.null(chromTIC)) { cat("\t\t\tCompute TIC\n"); chromTIC <- chromatogram(xdata, aggregationFun = "sum") } if (!is.null(chromBPI) || is.null(chromBPI)) { cat("\t\t\tCompute BPI\n"); chromBPI <- chromatogram(xdata, aggregationFun = "max") } if (!is.null(chromTIC_adjusted)) chromTIC <- chromTIC_adjusted if (!is.null(chromBPI_adjusted)) chromBPI <- chromBPI_adjusted getPlotChromatogram(chromTIC, xdata, pdfname="TICs.pdf", aggregationFun = "sum") getPlotChromatogram(chromBPI, xdata, pdfname="BPIs.pdf", aggregationFun = "max") cat("\n\n") # ----- EXPORT ----- cat("\tXCMSnExp OBJECT INFO\n") print(xdata) cat("\n\n") cat("\txcmsSet OBJECT INFO\n") # Get the legacy xcmsSet object xset <- getxcmsSetObject(xdata) print(xset) cat("\n\n") cat("\tDONE\n")