Faster fit configuration by using "Marq"

3 files changed, 12 insertions, 3 deletions

diff --git a/DESCRIPTION b/DESCRIPTION
index 5780cb5..cf5780e 100644
--- a/DESCRIPTION
+++ b/DESCRIPTION
@@ -1,8 +1,8 @@
 Package: gmkin
 Type: Package
 Title: GUI for Fitting Kinetic Models to Chemical Degradation Data with mkin
-Version: 0.5-7
-Date: 2014-11-13
+Version: 0.5-8
+Date: 2014-11-21
 Authors@R: c(person("Johannes", "Ranke", role = c("aut", "cre", "cph"), 
                     email = "jranke@uni-bremen.de"),
              person("Eurofins Regulatory AG", role = "cph"))
diff --git a/NEWS.md b/NEWS.md
index 677faae..3c1ad56 100644
--- a/NEWS.md
+++ b/NEWS.md
@@ -1,3 +1,9 @@
+# CHANGES in gmkin VERSION 0.5-8
+
+## MINOR CHANGES
+
+- Adapt fit configuration to the fact that the default optimisation algorithm in mkin has been changed to `Port`
+
 # CHANGES in gmkin VERSION 0.5-7
 
 ## NEW FEATURES
diff --git a/inst/GUI/gmkin.R b/inst/GUI/gmkin.R
index 0bd3c9b..7fef7a1 100644
--- a/inst/GUI/gmkin.R
+++ b/inst/GUI/gmkin.R
@@ -248,6 +248,7 @@ configure_fit_handler = function(h, ...) {
           m.i <<- as.character(svalue(m.gtable))

           ftmp <<- suppressWarnings(mkinfit(m[[m.i]],

                                             override(ds[[ds.i]]$data),

+                                            method.modFit = "Marq",

                                             err = "err", 

                                             control.modFit = list(maxiter = 0)))

           ftmp$ds.index <<- ds.i

@@ -266,7 +267,7 @@ configure_fit_handler = function(h, ...) {
                                          "none", ftmp$reweight.method)

           svalue(f.gg.opts.reweight.tol) <<- ftmp$reweight.tol

           svalue(f.gg.opts.reweight.max.iter) <<- ftmp$reweight.max.iter

-          svalue(f.gg.opts.method.modFit) <<- ftmp$method.modFit

+          svalue(f.gg.opts.method.modFit) <<- "Port"

           svalue(f.gg.opts.maxit.modFit) <<- ftmp$maxit.modFit

           f.gg.parms[,] <- get_Parameters(stmp, FALSE)

           delete(f.gg.plotopts, f.gg.po.obssel)

@@ -701,6 +702,7 @@ show_plot <- function(type, default = FALSE) {
                                       fixed_parms = names(deparms),

                                       fixed_initials = names(stateparms),

                                       err = "err", 

+                                      method.modFit = "Marq",

                                       control.modFit = list(maxiter = 0)))

     ftmp$ds.index <<- ds.i

     ftmp$ds <<- ds[[ds.i]]

@@ -786,6 +788,7 @@ pf <- gframe("Dataset 1, Model SFO", horizontal = TRUE,
 pf.p <- ggroup(cont = pf, horizontal = FALSE)

 ftmp <- suppressWarnings(mkinfit(m[[m.cur]], override(ds[[ds.i]]$data), 

                                  err = "err", 

+                                 method.modFit = "Marq",

                                  control.modFit = list(maxiter = 0)))

 ftmp$ds.index = ds.i

 ftmp$ds = ds[[ds.i]]