Mercurial > repos > ethevenot > batchcorrection
diff batch_correction_wrapper.R @ 0:b74d1d533dea draft default tip
planemo upload for repository https://github.com/workflow4metabolomics/batchcorrection.git commit 241fb99a843e13195c5054cd9731e1561f039bde
author | ethevenot |
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date | Thu, 04 Aug 2016 11:40:35 -0400 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/batch_correction_wrapper.R Thu Aug 04 11:40:35 2016 -0400 @@ -0,0 +1,124 @@ +#!/usr/bin/Rscript --vanilla --slave --no-site-file + +################################################################################################ +# batch_correction_wrapper # +# # +# Author: Marion LANDI / Jean-Francois MARTIN / Melanie Petera # +# User: Galaxy # +# Original data: -- # +# Starting date: 22-07-2014 # +# Version 1: 22-07-2014 # +# Version 2: 08-12-2014 # +# Version 2.1: 09-01-2015 modification in Error message of sample matching # +# Version 2.2: 16-03-2015 inclusion of miniTools' functions for special characters # +# # +# # +# Input files: dataMatrix.txt ; sampleMetadata.txt ; variableMetadata.txt (for DBC) # +# Output files: graph_output.pdf ; corrected table ; diagnostic table # +# # +################################################################################################ + + +library(batch) #necessary for parseCommandArgs function +args = parseCommandArgs(evaluate=FALSE) #interpretation of arguments given in command line as an R list of objects + +source_local <- function(...){ + argv <- commandArgs(trailingOnly = FALSE) + base_dir <- dirname(substring(argv[grep("--file=", argv)], 8)) + for(i in 1:length(list(...))){source(paste(base_dir, list(...)[[i]], sep="/"))} +} +#Import the different functions +source_local("Normalisation_QCpool.r","easyrlibrary-lib/RcheckLibrary.R","easyrlibrary-lib/miniTools.R") + + +## Reading of input files +idsample=read.table(args$sampleMetadata,header=T,sep='\t',check.names=FALSE) +iddata=read.table(args$dataMatrix,header=T,sep='\t',check.names=FALSE) + +### Table match check +table.check <- match2(iddata,idsample,"sample") + +### StockID +samp.id <- stockID(iddata,idsample,"sample") +iddata<-samp.id$dataMatrix ; idsample<-samp.id$Metadata ; samp.id<-samp.id$id.match + +### Checking mandatory variables +mand.check <- "" +for(mandcol in c("sampleType","injectionOrder","batch")){ + if(!(mandcol%in%colnames(idsample))){ + mand.check <- c(mand.check,"\nError: no '",mandcol,"' column in sample metadata.\n", + "Note: table must include this exact column name (it is case-sensitive).\n") + } +} +if(length(mand.check)>1){check.err(paste(table.check,mand.check,sep=""))} + +### Formating +idsample[[1]]=make.names(idsample[[1]]) +dimnames(iddata)[[1]]=iddata[[1]] + +### Transposition of ions data +idTdata=t(iddata[,2:dim(iddata)[2]]) +idTdata=data.frame(dimnames(idTdata)[[1]],idTdata) + +### Merge of 2 files (ok even if the two dataframe are not sorted on the same key) +id=merge(idsample, idTdata, by.x=1, by.y=1) + +id$batch=as.factor(id$batch) +ids=id[id$sampleType == 'pool' | id$sampleType == 'sample',] +nbid=dim(idsample)[2] + +### Checking the number of sample and pool + +# least 2 samples +if(length(which(ids$sampleType == "sample"))<2){ + table.check <- c(table.check,"\nError: less than 2 samples specified in sample metadata.", + "\nMake sure this is not due to errors in sampleType coding.\n") +} + +# least 2 pools per batch for all batchs +B <- rep(0,length(levels(ids$batch))) +for(nbB in length(levels(ids$batch))){ + B[nbB]<-length(which(ids[which(ids$batch==(levels(ids$batch)[nbB])),]$sampleType == "pool")) +} +if(length(which(B>1))==0){ + table.check <- c(table.check,"\nError: less than 2 pools specified in each batch in sample metadata.", + "\nMake sure this is not due to errors in sampleType coding.\n") +} + +### Factor of interest +factbio=args$ref_factor + + +if(args$analyse == "batch_correction") { + ## Reading of Metadata Ions file + metaion=read.table(args$variableMetadata,header=T,sep='\t',check.names=FALSE) + ## Table match check + table.check <- c(table.check,match2(iddata,metaion,"variable")) + check.err(table.check) + + ## variables + detail=args$detail + method=args$method + + ## outputs + outfic=args$variable_for_simca + outlog=args$graph_output + + ## Launch + res = norm_QCpool(ids,nbid,outfic,outlog,factbio,metaion,detail,F,F,method,args$span) + save(res, file=args$rdata_output) + write.table(reproduceID(res[[1]],res[[3]],"sample",samp.id)$dataMatrix, file=args$dataMatrix_out, sep = '\t', row.names=F, quote=F) + write.table(res[[2]], file=args$variableMetadata_out, sep = '\t', row.names=F, quote=F) +}else{ + ## error check + check.err(table.check) + + ## outputs + out_graph_pdf=args$out_graph_pdf + out_preNormSummary=args$out_preNormSummary + + ## Launch + plotsituation(ids,nbid,out_graph_pdf,out_preNormSummary,factbio,args$span) +} + +rm(args)