- Use an increasing small numeric value instead of random numbers for generating different default values for

  kinetic rate constants to increase transparency and reproducibility. This also works nicely.
- Remove an outdated comment from the test script.

git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@137 edb9625f-4e0d-4859-8d74-9fd3b1da38cb

1 files changed, 5 insertions, 1 deletions

diff --git a/R/mkinfit.R b/R/mkinfit.R
index 2012755f..d04d1ea6 100644
--- a/R/mkinfit.R
+++ b/R/mkinfit.R
@@ -57,10 +57,14 @@ mkinfit <- function(mkinmod, observed,
          " not used in the model")

   }

 

+  k_salt = 0

   defaultpar.names <- setdiff(mkinmod$parms, names(parms.ini))

   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 + runif(1)/1e6

+    if (substr(parmname, 1, 2) == "k_") {

+      parms.ini[parmname] = 0.1 + k_salt

+      k_salt = k_salt + 1e-4

+    }

     # 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