diff options
Diffstat (limited to 'R/pfm_degradation.R')
| -rw-r--r-- | R/pfm_degradation.R | 35 |
1 files changed, 31 insertions, 4 deletions
diff --git a/R/pfm_degradation.R b/R/pfm_degradation.R index 832a797..63a6e19 100644 --- a/R/pfm_degradation.R +++ b/R/pfm_degradation.R @@ -9,21 +9,48 @@ #' @param years For how many years should the degradation be predicted? #' @param step_days What step size in days should the output have? #' @param times The output times +#' @return A data frame containing the output times and the concentrations +#' assuming initial concentrations of 1 for the parent and zero for +#' metabolites, if any. #' @export #' @author Johannes Ranke #' @examples -#' head(pfm_degradation("SFO", DT50 = 10)) +#' # Simple example of an SFO decline curve +#' sfo_out <- pfm_degradation("SFO", DT50 = 10) +#' head(sfo_out) +#' +#' # Fictive example with a metabolite where we first generate an SFO-SFO model +#' sfo_sfo <- mkinmod( +#' parent = mkinsub("SFO", to = "metabolite"), +#' metabolite = mkinsub("SFO")) +#' +#' sfo_sfo_out <- pfm_degradation(sfo_sfo, +#' parms = c(k_parent = 0.1, f_parent_to_metabolite = 0.5, k_metabolite = 0.02)) +#' +#' plot( +#' sfo_sfo_out[, "time"], +#' sfo_sfo_out[, "parent"], type = "l", +#' xlab = "Time", ylab = "Relative concentration", +#' xlim = c(0, 100)) +#' lines( +#' sfo_sfo_out[, "time"], +#' sfo_sfo_out[, "metabolite"], lty = 2) +#' pfm_degradation <- function(model = "SFO", DT50 = 1000, parms = c(k_parent = log(2)/DT50), years = 1, step_days = 1, times = seq(0, years * 365, by = step_days)) { - if (model %in% c("SFO", "FOMC", "DFOP", "HS", "IORE")) { - model <- mkinmod(parent = list(type = model)) + if (!inherits(model, "mkinmod")) { + if (model[1] %in% c("SFO", "FOMC", "DFOP", "HS", "IORE")) { + model <- mkinmod(parent = list(type = model)) + } else { + stop("Please specify the model with a suitable name or an mkinmod object") + } } initial_state = c(1, rep(0, length(model$diffs) - 1)) names(initial_state) <- names(model$diffs) - time_course <- mkinpredict(model, odeparms = parms, + time_course <- mkinpredict(model, odeparms = parms, odeini = initial_state, outtimes = times, solution_type = ifelse(length(model$spec) == 1, "analytical", "deSolve")) |
