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-rw-r--r--R/mkinfit.R14
1 files changed, 12 insertions, 2 deletions
diff --git a/R/mkinfit.R b/R/mkinfit.R
index b80be97..cf018f0 100644
--- a/R/mkinfit.R
+++ b/R/mkinfit.R
@@ -28,6 +28,8 @@ mkinfit <- function(mkinmod, observed,
fixed_parms = NULL,
fixed_initials = names(mkinmod$diffs)[-1],
solution_type = "auto",
+ method.modFit = "Marq",
+ control.modFit = list(),
plot = FALSE, quiet = FALSE,
err = NULL, weight = "none", scaleVar = FALSE,
atol = 1e-8, rtol = 1e-10, n.outtimes = 100,
@@ -45,6 +47,13 @@ mkinfit <- function(mkinmod, observed,
# Define starting values for parameters where not specified by the user
if (parms.ini[[1]] == "auto") parms.ini = vector()
+
+ # Prevent inital parameter specifications that are not in the model
+ wrongpar.names <- setdiff(names(parms.ini), mkinmod$parms)
+ if (length(wrongpar.names) > 0) {
+ stop("Initial parameter(s) ", paste(wrongpar.names, collapse = ", "), " not used in the model")
+ }
+
defaultpar.names <- setdiff(mkinmod$parms, names(parms.ini))
for (parmname in defaultpar.names) {
# Default values for rate constants, depending on the parameterisation
@@ -168,7 +177,7 @@ mkinfit <- function(mkinmod, observed,
}
return(mC)
}
- fit <- modFit(cost, c(state.ini.optim, parms.optim), ...)
+ fit <- modFit(cost, c(state.ini.optim, parms.optim), method = method.modFit, control = control.modFit, ...)
# We need to return some more data for summary and plotting
fit$solution_type <- solution_type
@@ -203,6 +212,7 @@ mkinfit <- function(mkinmod, observed,
fit$data <- data[order(data$variable, data$time), ]
fit$atol <- atol
fit$rtol <- rtol
+
# Return all backtransformed parameters for summary
fit$bparms.optim <- bparms.optim
fit$bparms.fixed <- bparms.fixed
@@ -239,7 +249,7 @@ summary.mkinfit <- function(object, data = TRUE, distimes = TRUE, alpha = 0.05,
dimnames(param) <- list(pnames, c("Estimate", "Std. Error", "Lower", "Upper"))
blci <- buci <- numeric()
- # Only use lower end of CI for one parameter at a time
+ # Only transform boundaries of CI for one parameter at a time
for (pname in pnames) {
par.lower <- par.upper <- object$par
par.lower[pname] <- param[pname, "Lower"]

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