- Backtransform fixed ODE parameters for the summary (compare ChangeLog)

- Reformatted ChangeLog
- Version bump as mkin 0.9-22 is on CRAN

git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@129 edb9625f-4e0d-4859-8d74-9fd3b1da38cb

3 files changed, 8 insertions, 17 deletions

diff --git a/ChangeLog b/ChangeLog
index 3f87de8..2cc8971 100644
--- a/ChangeLog
+++ b/ChangeLog
@@ -1,29 +1,21 @@
+2013-10-30  Johannes Ranke <jranke@uni-bremen.de> for mkin (0.9-23)

+

+	* Backtransform fixed ODE parameters for the summary

+

 2013-10-21  Johannes Ranke <jranke@uni-bremen.de> for mkin (0.9-22)

 

 	* Get rid of the optimisation step in mkinerrmin - this was unnecessary

 	  Thanks to KinGUII for the inspiration - actually this is equation 6-2 

 	  in FOCUS kinetics p. 91 that I had overlooked originally

-

-2013-10-17  Johannes Ranke <jranke@uni-bremen.de> for mkin (0.9-22)

-

 	* Fix plot.mkinfit as it passed graphical arguments like main to the solver

 	* Do not use plot=TRUE in mkinfit example

 	* The first successful fits in the not so simple GUI

 	* Fix iteratively reweighted least squares for the case of many metabolites

-

-2013-10-16  Johannes Ranke<jranke@uni-bremen.de> for mkin (0.9-22)

-

 	* Unify naming of initial values of state variables

 	* Unify naming in dataframes of optimised and fixed parameters in the summary

-

-2013-10-10  Johannes Ranke<jranke@uni-bremen.de> for mkin (0.9-22)

-

 	* Show the weighting method for residuals in the summary

 	* Correct the output of the data in the case of manual weighting

 	* Implement IRLS assuming different variances for observed variables

-

-2013-10-09  Johannes Ranke for version (0.9-22)

-

 	* Do not use 0 values at time zero for chi2 error level calculations.

 	  This is the way it is done in KinGUII and it makes sense. It does

 	  impact the chi2 error levels in the output. Generally they seem to be

@@ -32,4 +24,3 @@
 

 Changes performed in earlier versions are documented in the subversion log

 files on R-Forge http://www.r-forge.r-project.org/scm/?group_id=615

-vim: set noexpandtab ts=2 sw=2:

diff --git a/DESCRIPTION b/DESCRIPTION
index 9e00357..57c3421 100644
--- a/DESCRIPTION
+++ b/DESCRIPTION
@@ -2,8 +2,8 @@ Package: mkin
 Type: Package
 Title: Routines for fitting kinetic models with one or more state
   variables to chemical degradation data
-Version: 0.9-22
-Date: 2013-10-21
+Version: 0.9-23
+Date: 2013-10-30
 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).
diff --git a/R/mkinfit.R b/R/mkinfit.R
index b0292bb..2be5515 100644
--- a/R/mkinfit.R
+++ b/R/mkinfit.R
@@ -247,8 +247,8 @@ mkinfit <- function(mkinmod, observed,
                      rep("deparm", length(parms.optim)))

   fit$start$transformed = c(state.ini.optim, parms.optim)

 

-  fit$fixed <- data.frame(

-    value = c(state.ini.fixed, parms.fixed))

+  fit$fixed <- data.frame(value = c(state.ini.fixed, 

+      backtransform_odeparms(parms.fixed, mod_vars)))

   fit$fixed$type = c(rep("state", length(state.ini.fixed)), 

                      rep("deparm", length(parms.fixed)))