diff --git a/mix.R b/mix.R index 458108d48323e188e8a46681c83d9fb724db34c3..6b0e22861379d543cd008891cbdc1061f19b6b5d 100644 --- a/mix.R +++ b/mix.R @@ -48,17 +48,17 @@ rmbmix.single<-function(fn_data,sett_alist,fn_cmpd_list,wd) { require(RMassBank) - + ## Generate settings file and load. + sfn<-file.path(wd,paste(fn_data,".ini",sep='')) + rmbmix.mk_sett_file(sett_alist,sfn) + loadRmbSettings(sfn) ## Generate file table. df_table<-data.frame(Files=rep(fn_data,n_cmpd),ID=1:n_cmpd) fn_table<-file.path(wd,paste("fn-table.",fn_data,".csv",sep='')) write.csv(x=df_table,file=fn_table,row.names=F) - ## Generate settings file and load. - sfn<-file.path(wd,paste(fn_data,".ini",sep='')) - rmbmix.mk_sett_file(sett_alist,sfn) - loadRmbSettings(sfn) + ## Make empty workspace.