diff options
| -rw-r--r-- | R/mkinfit.R | 24 | ||||
| -rw-r--r-- | R/transform_odeparms.R | 6 |
2 files changed, 11 insertions, 19 deletions
diff --git a/R/mkinfit.R b/R/mkinfit.R index 2480c135..ae30be43 100644 --- a/R/mkinfit.R +++ b/R/mkinfit.R @@ -106,6 +106,7 @@ mkinfit <- function(mkinmod, observed, if (parmname == "g") parms.ini[parmname] = 0.5
}
# Default values for formation fractions in case they are used
+ f_fixed_implicit = numeric(0)
if (mkinmod$use_of_ff == "max") {
for (box in mod_vars) {
f_names <- mkinmod$parms[grep(paste0("^f_", box), mkinmod$parms)]
@@ -118,10 +119,13 @@ mkinfit <- function(mkinmod, observed, }
if (mkinmod$spec[[box]]$sink) n_unspecified = length(f_default_names) + 1
else {
- n_unspecified = length(f_default_names)
# When we have no sink and only one pathway, we get an implicitly
- # fixed parameter
- if (length(f_names) == 1) fixed_parms = c(fixed_parms, f_names)
+ # fixed parameter which we need in the model
+ n_unspecified = length(f_default_names)
+ if (length(f_names) == 1) {
+ f_fixed_implicit[f_names] = 1
+ fixed_parms = c(fixed_parms, f_names)
+ }
}
parms.ini[f_default_names] <- (1 - sum_f_specified) / n_unspecified
}
@@ -218,7 +222,8 @@ mkinfit <- function(mkinmod, observed, transform_fractions = transform_fractions)
# Solve the system with current transformed parameter values
- out <- mkinpredict(mkinmod, parms, odeini, outtimes,
+ out <- mkinpredict(mkinmod, c(parms, f_fixed_implicit),
+ odeini, outtimes,
solution_type = solution_type,
method.ode = method.ode,
atol = atol, rtol = rtol, ...)
@@ -236,7 +241,8 @@ mkinfit <- function(mkinmod, observed, if(plot) {
outtimes_plot = seq(min(observed$time), max(observed$time), length.out=100)
- out_plot <- mkinpredict(mkinmod, parms, odeini, outtimes_plot,
+ out_plot <- mkinpredict(mkinmod, c(parms, f_fixed_implicit),
+ odeini, outtimes_plot,
solution_type = solution_type,
method.ode = method.ode,
atol = atol, rtol = rtol, ...)
@@ -335,10 +341,6 @@ mkinfit <- function(mkinmod, observed, bparms.optim = backtransform_odeparms(fit$par, fit$mkinmod,
transform_rates = transform_rates,
transform_fractions = transform_fractions)
- # As backtransform_odeparms does not know about fixed values, it
- # generates a formation fraction even it is an implicitly fixed one.
- # This needs to be removed from bparms.optim
- bparms.optim = bparms.optim[setdiff(names(bparms.optim), names(parms.fixed))]
bparms.fixed = c(state.ini.fixed, parms.fixed)
bparms.all = c(bparms.optim, parms.fixed)
@@ -441,10 +443,6 @@ summary.mkinfit <- function(object, data = TRUE, distimes = TRUE, alpha = 0.05, bpu <- backtransform_odeparms(par.upper, object$mkinmod,
object$transform_rates,
object$transform_fractions)
- # Again, we have to remove formation fractions that were implicitly generated
- bpl <- bpl[intersect(bpnames, names(bpl))]
- bpu <- bpu[intersect(bpnames, names(bpu))]
-
bparam[names(bpl), "Lower"] <- bpl
bparam[names(bpu), "Upper"] <- bpu
}
diff --git a/R/transform_odeparms.R b/R/transform_odeparms.R index 4774fcf6..912a5c0a 100644 --- a/R/transform_odeparms.R +++ b/R/transform_odeparms.R @@ -114,12 +114,6 @@ backtransform_odeparms <- function(transparms, mkinmod, f_names = grep(paste("^f", box, sep = "_"), mkinmod$parms, value = TRUE)
# Get the formation fraction parameters
trans_f = transparms[grep(paste("^f", box, sep = "_"), names(transparms))]
-
- # If we have one formation fraction parameter, but no optimised parameter,
- # the one must be unity
- if (length(trans_f) == 0 & length(f_names == 1)) {
- parms[f_names] = 1
- }
if (length(trans_f) > 0) {
if(transform_fractions) {
f <- invilr(trans_f)
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