From e959fde98f95f3595e01490b67892678bbcd1b27 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Wed, 7 May 2014 14:47:28 +0200 Subject: Fork the gmkin GUI from mkin. See ChangeLog for details --- man/mkinpredict.Rd | 91 ------------------------------------------------------ 1 file changed, 91 deletions(-) delete mode 100644 man/mkinpredict.Rd (limited to 'man/mkinpredict.Rd') diff --git a/man/mkinpredict.Rd b/man/mkinpredict.Rd deleted file mode 100644 index 97db90e..0000000 --- a/man/mkinpredict.Rd +++ /dev/null @@ -1,91 +0,0 @@ -\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 } -- cgit v1.2.1