Fix for IORE in mkinmod

2 files changed, 9 insertions, 4 deletions

diff --git a/R/mkinmod.R b/R/mkinmod.R
index 8b86303f..d04f811f 100644
--- a/R/mkinmod.R
+++ b/R/mkinmod.R
@@ -88,11 +88,11 @@ mkinmod <- function(..., use_of_ff = "min", speclist = NULL)
     if(is.null(spec[[varname]]$sink)) spec[[varname]]$sink <- TRUE

     if(spec[[varname]]$type %in% c("SFO", "IORE", "SFORB")) { # {{{ Add decline term

       if (use_of_ff == "min") { # Minimum use of formation fractions

+        if(spec[[varname]]$type == "IORE" && length(spec[[varname]]$to) > 0) {

+           stop("Transformation reactions from compounds modelled with IORE\n",

+                "are only supported with formation fractions (use_of_ff = 'max')")

+        }

         if(spec[[varname]]$sink) {

-          if(spec[[varname]]$type == "IORE" && length(spec[[varname]]$to) > 0) {

-             stop("Transformation reactions from compounds modelled with IORE\n",

-                  "are only supported with formation fractions (use_of_ff = 'max')")

-          }

           # If sink is required, add first-order/IORE sink term

           k_compound_sink <- paste("k", box_1, "sink", sep = "_")

           if(spec[[varname]]$type == "IORE") {

diff --git a/man/mkinmod.Rd b/man/mkinmod.Rd
index e6749ded..f73b78da 100644
--- a/man/mkinmod.Rd
+++ b/man/mkinmod.Rd
@@ -54,6 +54,11 @@ mkinmod(..., use_of_ff = "min", speclist = NULL)
     \item{coefmat}{ The coefficient matrix, if the system of differential equations can be

       represented by one. }

 }

+\note{

+  The IORE submodel is not well tested (yet). When using this model for metabolites, 

+  you may want to read the second note in the help page to 

+  \code{\link{mkinfit}}.

+}

 \references{

   FOCUS (2006) \dQuote{Guidance Document on Estimating Persistence and

   Degradation Kinetics from Environmental Fate Studies on Pesticides in EU