view xcms_export_samplemetadata.r @ 9:94eb263cfab4 draft

"planemo upload for repository https://github.com/workflow4metabolomics/xcms commit dcc90f9cf76e6980c0a7d9698c89fab826e7adae"
author workflow4metabolomics
date Wed, 07 Apr 2021 09:53:54 +0000
parents 8c62030a1136
children cdab04a1d1d7
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#!/usr/bin/env Rscript

#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")

pkgs <- c("xcms", "batch")
loadAndDisplayPackages(pkgs)
cat("\n\n");

args <- parseCommandArgs(evaluate = FALSE) #interpretation of arguments given in command line as an R list of objects


sampleMetadata <- NULL
for (image in args$images) {
    load(image)
    if (exists("raw_data")) xdata <- raw_data
    if (!exists("xdata")) stop("\n\nERROR: The RData doesn't contain any object called 'xdata'. This RData should have been created by an old version of XMCS 2.*")
    if (is.null(sampleMetadata))
        sampleMetadata <- xdata@phenoData@data
    else
        sampleMetadata <- rbind(sampleMetadata, xdata@phenoData@data)
}
colnames(sampleMetadata) <- c("sample_name", "class")
sampleMetadata$sample_name <- make.names(sampleMetadata$sample_name)

# Create a sampleMetada file
write.table(sampleMetadata, file = "sampleMetadata.tsv", sep = "\t", row.names = FALSE, quote = FALSE)