diff --git a/R/mix.R b/R/mix.R index 13ace83302ca124f37ec3870213bf512c0c3e8be..6b69747c94f6f81bc384074c35345cb15a78be20 100644 --- a/R/mix.R +++ b/R/mix.R @@ -107,8 +107,7 @@ gen_stgs_and_load <- function(fn_data,stgs,wd) { stgs<-if (is.character(stgs)) yaml::yaml.load_file(stgs) else stgs sfn<-file.path(wd,paste(basename(fn_data),".ini",sep='')) mk_sett_file(stgs,sfn) - ## RMassBank::loadRmbSettings(sfn) - sfn + RMassBank::loadRmbSettings(sfn) } ##' Generates the RMassBank compound list and loads it. @@ -397,8 +396,8 @@ RMB_EIC_prescreen_intrn <- function (archive_name, RMB_mode, FileList, cmpd_list ##' @author Todor Kondić ##' @export presc.single <- function(fn_data,stgs_alist,wd,mode,fn_cmpd_l,ppm_lim_fine=10,EIC_limit=0.001,nm_arch="archive") { - sfn <- gen_stgs_and_load(fn_data,stgs_alist,wd) - RMassBank::loadRmbSettings(sfn) + gen_stgs_and_load(fn_data,stgs_alist,wd) + ## Generate and load the compound list. x <- gen_cmpdl_and_load(fn_data,wd,fn_cmpd_l) fn_comp <- x$fn_cmpdl