diff --git a/R/mix.R b/R/mix.R index 8594f4df21033e73bb7ca06b7786c2dc2ce1d36f..168a2629956e947ef926cac30ed37c361403c2e0 100644 --- a/R/mix.R +++ b/R/mix.R @@ -217,19 +217,26 @@ mb.single<-function(mb,infodir,fn_stgs) { ##' from data filenames. ##' @author Todor Kondić v<-function(fn_data,stgs_alist,wd,fn_cmpd_list,mode,readMethod="mzR",archdir="archive",lastStep=8,combine=F) { + idir<-function(n) file.path(rdir,stripext(n)) f<-Vectorize(single.sw,vectorize.args=c("wd","fn_data","stgs_alist"),SIMPLIFY=F) rootdir <- getwd() if (combine) { z<-f(fn_data,stgs_alist,wd,fn_cmpd_list,mode,readMethod=readMethod,archdir=archdir,lastStep=7) names(z)<-basename(fn_data) zz<-RMassBank::combineMultiplicities(z) + combdir<-"combined" archdir<-file.path(rootdir,combdir,archdir) no_drama_mkdir(combdir) no_drama_mkdir(archdir) fn_arch<-file.path(archdir,"archive") + fn_comb_stgs <- file.path(rootdir,combdir,paste(combdir,".mzML.ini",sep='')) + ddirs <- sapply(names(z),idir) + stgs_fls <- sapply(ddirs,function(x) file.path(x,paste(x,".mzML.ini",sep=''))) + mk_combine_file(stgs_fls,fn_comb_stgs) + res<-list(RMassBank::msmsWorkflow(zz, steps=8, mode=mode, archivename = fn_arch)) - names(res)<-paste(combdir,".yml",sep='') #Clearly a hack. + names(res)<-paste(combdir,".mzML",sep='') #Clearly a hack. res } else { z<-f(fn_data,stgs_alist,wd,fn_cmpd_list,mode,readMethod=readMethod,archdir=archdir,lastStep=lastStep)