R/comsol_exe.R

In laurin-f/pkg.WWM: What the Package Does (One Line, Title Case)

#' Function to execute Comsol Modell with defined parameters
#'
#' @param modelname name of the Comsol Modell without .mph ending
#' @param outfile_new name that the COMSOL outputfile is changed to from this function
#' @param outfile_raw name that COMSOL gives the outputfile 
#' @param COMSOL_progammpath path to COMSOL project file
#' @param COMSOL_exepath path to comsolbatch.exe
#' @param job name of the job that is defined in the COMSOL project file
#' @param overwrite should existing modellresults be overwritten or not 
#' @param input_pars named vector or dataframe where names represent Parameter names as defined in Comsol
#'
#' @return
#' @export
#'
#' @examples comsol_exe(model="Produktionseimer",input_pars=input_pars_9,outfile="CO2_flux_prod_9.txt")
comsol_exe <- function(modelname,
                       input_pars = NULL,
                       outfile_new = NULL,
                       outfile_raw = "CO2_flux_prod.txt",
                       COMSOL_progammpath = COMSOL_progammpfad,
                       COMSOL_exepath = COMSOL_exepfad,
                       job = NULL,
                       study =NULL,
                       overwrite_model = F,
                       overwrite = F) {
  
  #new name for outputfile with path
  outfile_new_full <- paste0(comsolpfad,outfile_new)
  #check if outpufile already exists
  if(overwrite == F & !is.null(outfile_new) & file.exists(outfile_new_full)){
    print(paste(outfile_new,"already exists set overwrite = T to replace it"))
  }else{
    
    
    job_str <- ifelse(is.null(job),"",paste("-job",job))
    study_str <- ifelse(is.null(study),"",paste("-study",study))
    #string that is parsed to commandline
    if(overwrite_model){
      cmd <- paste0("cd ",COMSOL_exepath,"&& comsolbatch.exe -inputfile ",COMSOL_progammpath,modelname,".mph -outputfile ",COMSOL_progammpath,modelname," ",job_str,study_str)
    }else{
    cmd <- paste0("cd ",COMSOL_exepath,"&& comsolbatch.exe -inputfile ",COMSOL_progammpath,modelname,".mph -outputfile ",COMSOL_progammpath,modelname,"_solved.mph ",job_str,study_str)
    }
    #if input pars exists save them to .txt 
    if(!is.null(input_pars)){
      par_file <- paste0(comsolpfad,"input_pars.txt")
      if(!is.data.frame(input_pars)){
        input_pars <- t(input_pars)
      }
      write.table(input_pars,file=par_file,row.names = F,quote = F,sep = " ")
      
      #add -paramfile path/input_pars.txt to the commandline string so that comsol knows where to look for the parameters
      cmd <- paste0(cmd," -paramfile ",par_file)
    }
    
    #commandline befehl ausführen
    shell(cmd,translate=T,intern=F)
    
    #name of the outpufile as it is generated by COMSOL
    outfile_raw_full <- paste0(comsolpfad,outfile_raw)
    
    if(!is.null(outfile_new)){
      if(file.exists(outfile_raw_full)){
        #change the name of the Outputfile to outfile_new
        file.rename(outfile_raw_full,outfile_new_full)
      }else{
        print("no outfile found")
      }
    }
  }
  
}

# input_pars <- c("prod_1"=1.2,"prod_2"=1.3,"prod_3"=0)
# modelname <- "Produktionseimer"