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-\name{mkinpredict}
-\alias{mkinpredict}
-\title{
- Produce predictions from a kinetic model using specifc parameters
-}
-\description{
- This function produces a time series for all the observed variables in a
- kinetic model as specified by \code{\link{mkinmod}}, using a specific set of
- kinetic parameters and initial values for the state variables.
-}
-\usage{
- mkinpredict(mkinmod, odeparms, odeini, outtimes, solution_type = "deSolve",
- method.ode = "lsoda", atol = 1e-08, rtol = 1e-10, map_output = TRUE, ...)
-}
-\arguments{
- \item{mkinmod}{
- A kinetic model as produced by \code{\link{mkinmod}}.
- }
- \item{odeparms}{
- A numeric vector specifying the parameters used in the kinetic model, which
- is generally defined as a set of ordinary differential equations.
- }
- \item{odeini}{
- A numeric vectory containing the initial values of the state variables of
- the model. Note that the state variables can differ from the observed
- variables, for example in the case of the SFORB model.
- }
- \item{outtimes}{
- A numeric vector specifying the time points for which model predictions
- should be generated.
- }
- \item{solution_type}{
- The method that should be used for producing the predictions. This should
- generally be "analytical" if there is only one observed variable, and
- usually "deSolve" in the case of several observed variables. The third
- possibility "eigen" is faster but not applicable to some models e.g.
- using FOMC for the parent compound.
- }
- \item{method.ode}{
- The solution method passed via \code{\link{mkinpredict}} to
- \code{\link{ode}} in case the solution type is "deSolve". The default
- "lsoda" is performant, but sometimes fails to converge.
- }
- \item{atol}{
- Absolute error tolerance, passed to \code{\link{ode}}. Default is 1e-8,
- lower than in \code{\link{lsoda}}.
- }
- \item{rtol}{
- Absolute error tolerance, passed to \code{\link{ode}}. Default is 1e-10,
- much lower than in \code{\link{lsoda}}.
- }
- \item{map_output}{
- Boolean to specify if the output should list values for the observed
- variables (default) or for all state variables (if set to FALSE).
- }
- \item{\dots}{
- Further arguments passed to the ode solver in case such a solver is used.
- }
-}
-\value{
- A matrix in the same format as the output of \code{\link{ode}}.
-}
-\author{
- Johannes Ranke
-}
-\examples{
- SFO <- mkinmod(degradinol = list(type = "SFO"))
- mkinpredict(SFO, c(k_degradinol_sink = 0.3), c(degradinol = 100), 0:20,
- solution_type = "analytical")
- mkinpredict(SFO, c(k_degradinol_sink = 0.3), c(degradinol = 100), 0:20,
- solution_type = "eigen")
-
- mkinpredict(SFO, c(k_degradinol_sink = 0.3), c(degradinol = 100), 1:20,
- solution_type = "analytical")[20,]
- mkinpredict(SFO, c(k_degradinol_sink = 0.3), c(degradinol = 100), 0:20,
- atol = 1e-20)[20,]
-
- # The integration method does not make a lot of difference
- mkinpredict(SFO, c(k_degradinol_sink = 0.3), c(degradinol = 100), 0:20,
- atol = 1e-20, method = "ode45")[20,]
- mkinpredict(SFO, c(k_degradinol_sink = 0.3), c(degradinol = 100), 0:20,
- atol = 1e-20, method = "rk4")[20,]
-
- # The number of output times used to make a lot of difference until the
- # default for atol was adjusted
- mkinpredict(SFO, c(k_degradinol_sink = 0.3), c(degradinol = 100),
- seq(0, 20, by = 0.1))[201,]
- mkinpredict(SFO, c(k_degradinol_sink = 0.3), c(degradinol = 100),
- seq(0, 20, by = 0.01))[2001,]
-}
-\keyword{ manip }

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