Mercurial > repos > lecorguille > xcms_xcmsset
diff xcms_xcmsSet.r @ 30:14b1c52fae62 draft
"planemo upload for repository https://github.com/workflow4metabolomics/xcms commit f1caf2a3bf23cf319a75dd12c86402555dd02617"
author | workflow4metabolomics |
---|---|
date | Wed, 12 Feb 2020 08:30:58 -0500 |
parents | 9eebe9690ced |
children | eb15a3841da4 |
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--- a/xcms_xcmsSet.r Tue Jan 07 08:16:02 2020 -0500 +++ b/xcms_xcmsSet.r Wed Feb 12 08:30:58 2020 -0500 @@ -59,12 +59,9 @@ if (!exists("raw_data")) stop("\n\nERROR: The RData doesn't contain any object called 'raw_data' which is provided by the tool: MSnbase readMSData") # Handle infiles -if (!exists("singlefile")) singlefile <- NULL -if (!exists("zipfile")) zipfile <- NULL -rawFilePath <- getRawfilePathFromArguments(singlefile, zipfile, args) +rawFilePath <- retrieveRawfileInTheWorkingDirectory(singlefile, zipfile, args) zipfile <- rawFilePath$zipfile singlefile <- rawFilePath$singlefile -directory <- retrieveRawfileInTheWorkingDirectory(singlefile, zipfile) cat("\n\n") @@ -76,9 +73,6 @@ cat("\t\tCOMPUTE\n") -## Get the full path to the files -files <- getMSFiles(directory) - cat("\t\t\tApply filter[s] (if asked)\n") if (exists("filterAcquisitionNumParam")) raw_data <- filterAcquisitionNum(raw_data, filterAcquisitionNumParam[1]:filterAcquisitionNumParam[2]) if (exists("filterRtParam")) raw_data <- filterRt(raw_data, filterRtParam) @@ -99,9 +93,6 @@ # Check if there are no peaks if (nrow(chromPeaks(xdata)) == 0) stop("No peaks were detected. You should review your settings") -# Transform the files absolute pathways into relative pathways -xdata@processingData@files <- sub(paste(getwd(), "/", sep="") , "", xdata@processingData@files) - # Create a sampleMetada file sampleNamesList <- getSampleMetadata(xdata=xdata, sampleMetadataOutput="sampleMetadata.tsv")