- Start of an adaptation of mkinfit, but it seems nothing is really needed

- Tests suggest that mkinmod is still buggy



git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@27 edb9625f-4e0d-4859-8d74-9fd3b1da38cb

1 files changed, 6 insertions, 0 deletions

diff --git a/R/mkinfit.R b/R/mkinfit.R
index f4043568..64edaba0 100644
--- a/R/mkinfit.R
+++ b/R/mkinfit.R
@@ -35,6 +35,9 @@ mkinfit <- function(mkinmod, observed,
   # Get the names of the state variables in the model

   mod_vars <- names(mkinmod$diffs)

 

+  # See which variant of the model specification was used

+  use_of_ff <- mkinmod$use_of_ff

+

   # Subset observed data with names of observed data in the model

   observed <- subset(observed, name %in% names(mkinmod$map))

 

@@ -47,6 +50,9 @@ mkinfit <- function(mkinmod, observed,
   for (parmname in defaultpar.names) {

     # Default values for rate constants, depending on the parameterisation

     if (substr(parmname, 1, 2) == "k_") parms.ini[parmname] = 0.1 

+    # Default values for rate constants for reversible binding

+    if (grepl("free_bound$", parmname)) parms.ini[parmname] = 0.1 

+    if (grepl("bound_free$", parmname)) parms.ini[parmname] = 0.02

     # Default values for formation fractions

     if (substr(parmname, 1, 2) == "f_") parms.ini[parmname] = 0.1

     # Default values for the FOMC, DFOP and HS models