Add presc.do

* R/run.R(presc.do): New function. Top level prescreening function.

* NAMESPACE: New exports.

* man: Update doc.

NAMESPACE

@@ -2,6 +2,7 @@
 
 export(mb.do)
 export(mb.prep)
+export(presc.do)
 export(presc.p)
 export(presc.single)
 export(presc.v)

R/run.R

@@ -8,6 +8,31 @@
 attch<-function(...) paste(...,sep='')
 
 
+##' Do the prescreening.
+##'
+##' @title Prescreening on bunch of files.
+##' @param fn_data The mzML files. Basis for the out directory name
+##'     generation.
+##' @param fn_cmpd_list The compound list CSV.
+##' @param mode RMB mode.
+##' @param proc Amount of processors, or FALSE. 
+##' @return Nothing useful.
+##' @author Todor Kondić
+##' @export
+presc.do<-function(fn_data,fn_cmpd_list,mode,proc=F) {
+
+
+    if (proc) {
+        cl<-parallel::makeCluster(proc)
+        presc.p(fn_data,fn_cmpd_l=fn_cmpd_list,mode=mode,cl=cl)
+    } else {
+        presc.v(fn_data,fn_cmpd_l=fn_cmpd_list,mode)
+    }
+}
+
+
+
+
 ##' Performs massbank workflow on multiple mzML files:
 ##'
 ##'

man/presc.do.Rd

+% Generated by roxygen2: do not edit by hand
+% Please edit documentation in R/run.R
+\name{presc.do}
+\alias{presc.do}
+\title{Prescreening on bunch of files.}
+\usage{
+presc.do(fn_data, fn_cmpd_list, mode, proc = F)
+}
+\arguments{
+\item{fn_data}{The mzML files. Basis for the out directory name
+generation.}
+
+\item{fn_cmpd_list}{The compound list CSV.}
+
+\item{mode}{RMB mode.}
+
+\item{proc}{Amount of processors, or FALSE.}
+}
+\value{
+Nothing useful.
+}
+\description{
+Do the prescreening.
+}
+\author{
+Todor Kondić
+}