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-rw-r--r--R/pfm_degradation.R35
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"))

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