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authorjranke <jranke@edb9625f-4e0d-4859-8d74-9fd3b1da38cb>2010-05-20 18:02:42 +0000
committerjranke <jranke@edb9625f-4e0d-4859-8d74-9fd3b1da38cb>2010-05-20 18:02:42 +0000
commita4421eba19eae98a0bd00adb4e8c6d72cc49f9fb (patch)
tree5692b056191b9197c900404410b17306da6526db /R/mkinfit.R
parent16f5b1d3c0136413e92b2be0f20d365e92e9cd1c (diff)
Various improvements, the most prominent being the addition of the
test dataset from the original KinGUI Piacenza paper. git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@10 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
Diffstat (limited to 'R/mkinfit.R')
-rw-r--r--R/mkinfit.R36
1 files changed, 24 insertions, 12 deletions
diff --git a/R/mkinfit.R b/R/mkinfit.R
index c1490276..9e872fcb 100644
--- a/R/mkinfit.R
+++ b/R/mkinfit.R
@@ -1,6 +1,7 @@
mkinfit <- function(mkinmod, observed,
parms.ini = rep(0.1, length(mkinmod$parms)),
state.ini = c(100, rep(0, length(mkinmod$diffs) - 1)),
+ lower = 0, upper = Inf,
fixed_parms = NULL,
fixed_initials = names(mkinmod$diffs)[-1],
plot = FALSE, quiet = FALSE,
@@ -58,11 +59,7 @@ mkinfit <- function(mkinmod, observed,
odeparms <- c(P[(length(state.ini.optim) + 1):length(P)], parms.fixed)
- # Get more timepoints if plotting is desired
- if(plot) {
- outtimes = unique(sort(c(observed$time,
- seq(min(observed$time), max(observed$time), length.out=100))))
- } else outtimes = unique(observed$time)
+ outtimes = unique(observed$time)
# Solve the ode
out <- ode(
@@ -70,7 +67,7 @@ mkinfit <- function(mkinmod, observed,
times = outtimes,
func = mkindiff,
parms = odeparms)
-
+
# Output transformation for models with unobserved compartments like SFORB
out_transformed <- data.frame(time = out[,"time"])
@@ -81,7 +78,7 @@ mkinfit <- function(mkinmod, observed,
out_transformed[var] <- rowSums(out[, mkinmod$map[[var]]])
}
}
- assign("out_predicted", subset(out_transformed, time %in% observed$time), inherits=TRUE)
+ assign("out_predicted", out_transformed, inherits=TRUE)
mC <- modCost(out_transformed, observed, y = "value",
err = err, weight = weight, scaleVar = scaleVar)
@@ -90,8 +87,23 @@ mkinfit <- function(mkinmod, observed,
if (mC$model < cost.old) {
if(!quiet) cat("Model cost at call ", calls, ": ", mC$model, "\n")
- # Plot the data and the current model output if requested
+ # Plot the data and current model output if requested
if(plot) {
+ outtimes_plot = seq(min(observed$time), max(observed$time), length.out=100)
+ out_plot <- ode(
+ y = odeini,
+ times = outtimes_plot,
+ func = mkindiff,
+ parms = odeparms)
+ out_transformed_plot <- data.frame(time = out_plot[,"time"])
+ for (var in names(mkinmod$map)) {
+ if(length(mkinmod$map[[var]]) == 1) {
+ out_transformed_plot[var] <- out_plot[, var]
+ } else {
+ out_transformed_plot[var] <- rowSums(out_plot[, mkinmod$map[[var]]])
+ }
+ }
+
plot(0, type="n",
xlim = range(observed$time), ylim = range(observed$value, na.rm=TRUE),
xlab = "Time", ylab = "Observed")
@@ -101,7 +113,7 @@ mkinfit <- function(mkinmod, observed,
points(subset(observed, name == obs_var, c(time, value)),
pch = pch_obs[obs_var], col = col_obs[obs_var])
}
- matlines(out_transformed$time, out_transformed[-1])
+ matlines(out_transformed_plot$time, out_transformed_plot[-1])
legend("topright", inset=c(0.05, 0.05), legend=obs_vars,
col=col_obs, pch=pch_obs, lty=1:length(pch_obs))
}
@@ -110,7 +122,7 @@ mkinfit <- function(mkinmod, observed,
}
return(mC)
}
- fit <- modFit(cost, c(state.ini.optim, parms.optim), ...)
+ fit <- modFit(cost, c(state.ini.optim, parms.optim), lower = lower, upper = upper, ...)
# We need the function for plotting
fit$mkindiff <- mkindiff
@@ -125,8 +137,8 @@ mkinfit <- function(mkinmod, observed,
# Collect initial parameter values in two dataframes
fit$start <- data.frame(initial = c(state.ini.optim, parms.optim))
fit$start$type = c(rep("state", length(state.ini.optim)), rep("deparm", length(parms.optim)))
- if (exists("lower")) fit$start$lower <- lower
- if (exists("upper")) fit$start$upper <- upper
+ fit$start$lower <- lower
+ fit$start$upper <- upper
fit$fixed <- data.frame(
value = c(state.ini.fixed, parms.fixed))

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