diff options
| -rw-r--r-- | DESCRIPTION | 4 | ||||
| -rw-r--r-- | NAMESPACE | 6 | ||||
| -rw-r--r-- | inst/GUI/mkinGUItest.RData | bin | 169 -> 0 bytes | |||
| -rw-r--r-- | man/mkinpredict.Rd | 33 |
4 files changed, 26 insertions, 17 deletions
diff --git a/DESCRIPTION b/DESCRIPTION index 52112e9..21a5428 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -3,8 +3,8 @@ Type: Package Title: Routines for fitting kinetic models with one or more state variables to chemical degradation data Version: 0.9-20 -Date: 2013-09- -Author: Johannes Ranke, Katrin Lindenberger, René Lehmann +Date: 2013-09-25 +Author: Johannes Ranke, with contributions from Katrin Lindenberger, René Lehmann Maintainer: Johannes Ranke <jranke@uni-bremen.de> Description: Calculation routines based on the FOCUS Kinetics Report (2006). Includes a function for conveniently defining differential equation models, @@ -1,11 +1,9 @@ -# Default NAMESPACE created by R -# Remove the previous line if you edit this file - # Export all names exportPattern(".") # Import all packages listed as Imports or Depends import( FME, - deSolve + deSolve, + minpack.lm ) diff --git a/inst/GUI/mkinGUItest.RData b/inst/GUI/mkinGUItest.RData Binary files differdeleted file mode 100644 index 82b7086..0000000 --- a/inst/GUI/mkinGUItest.RData +++ /dev/null diff --git a/man/mkinpredict.Rd b/man/mkinpredict.Rd index 66e3ce5..9d181f5 100644 --- a/man/mkinpredict.Rd +++ b/man/mkinpredict.Rd @@ -9,8 +9,8 @@ initial values for the state variables. } \usage{ - mkinpredict(mkinmod, odeparms, odeini, outtimes, solution_type = "deSolve", map_output = TRUE, - atol = 1e-08, rtol = 1e-10, ...) + mkinpredict(mkinmod, odeparms, odeini, outtimes, solution_type = "deSolve", + map_output = TRUE, atol = 1e-08, rtol = 1e-10, ...) } \arguments{ \item{mkinmod}{ @@ -59,16 +59,27 @@ } \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), 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,] - 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,] + 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 } |