diff options
Diffstat (limited to 'R')
| -rw-r--r-- | R/mkinfit.R | 42 | ||||
| -rw-r--r-- | R/mkinmod.R | 12 |
2 files changed, 27 insertions, 27 deletions
diff --git a/R/mkinfit.R b/R/mkinfit.R index b5020418..4ac54ce2 100644 --- a/R/mkinfit.R +++ b/R/mkinfit.R @@ -903,25 +903,25 @@ print.summary.mkinfit <- function(x, digits = max(3, getOption("digits") - 3), . }
# Alternative way to fit the error model, fitting to modelled instead of
# observed values
-.fit_error_model_mad_mod <- function(tmp_res, tc) {
- mad_agg <- aggregate(tmp_res$res.unweighted,
- by = list(name = tmp_res$name, time = tmp_res$x),
- FUN = function(x) mad(x, center = 0))
- names(mad_agg) <- c("name", "time", "mad")
- mod_agg <- aggregate(tmp_res$mod,
- by = list(name = tmp_res$name, time = tmp_res$x),
- FUN = mean)
- names(mod_agg) <- c("name", "time", "mod")
- mod_mad <- merge(mod_agg, mad_agg)
-
- tc_fit <- tryCatch(
- nls(mad ~ sigma_twocomp(mod, sigma_low, rsd_high),
- start = list(sigma_low = tc["sigma_low"], rsd_high = tc["rsd_high"]),
- data = mod_mad,
- weights = 1/mod_mad$mad,
- lower = 0,
- algorithm = "port"),
- error = "Fitting the error model failed in iteration")
- return(tc_fit)
-}
+# .fit_error_model_mad_mod <- function(tmp_res, tc) {
+# mad_agg <- aggregate(tmp_res$res.unweighted,
+# by = list(name = tmp_res$name, time = tmp_res$x),
+# FUN = function(x) mad(x, center = 0))
+# names(mad_agg) <- c("name", "time", "mad")
+# mod_agg <- aggregate(tmp_res$mod,
+# by = list(name = tmp_res$name, time = tmp_res$x),
+# FUN = mean)
+# names(mod_agg) <- c("name", "time", "mod")
+# mod_mad <- merge(mod_agg, mad_agg)
+#
+# tc_fit <- tryCatch(
+# nls(mad ~ sigma_twocomp(mod, sigma_low, rsd_high),
+# start = list(sigma_low = tc["sigma_low"], rsd_high = tc["rsd_high"]),
+# data = mod_mad,
+# weights = 1/mod_mad$mad,
+# lower = 0,
+# algorithm = "port"),
+# error = "Fitting the error model failed in iteration")
+# return(tc_fit)
+# }
# vim: set ts=2 sw=2 expandtab:
diff --git a/R/mkinmod.R b/R/mkinmod.R index 2805ef54..26148f18 100644 --- a/R/mkinmod.R +++ b/R/mkinmod.R @@ -164,12 +164,12 @@ mkinmod <- function(..., use_of_ff = "min", speclist = NULL, quiet = FALSE, verb # The problems were: Calculation of dissipation times did not work in this case
# and the coefficient matrix is not generated correctly by the code present
# in this file in this case
- f_free_bound <- paste("f", varname, "free", "bound", sep = "_")
- k_bound_free <- paste("k", varname, "bound", "free", sep = "_")
- parms <- c(parms, f_free_bound, k_bound_free)
- reversible_binding_term_1 <- paste("+", k_bound_free, "*", box_2)
- reversible_binding_term_2 <- paste("+", f_free_bound, "*", k_compound, "*", box_1, "-",
- k_bound_free, "*", box_2)
+ #f_free_bound <- paste("f", varname, "free", "bound", sep = "_")
+ #k_bound_free <- paste("k", varname, "bound", "free", sep = "_")
+ #parms <- c(parms, f_free_bound, k_bound_free)
+ #reversible_binding_term_1 <- paste("+", k_bound_free, "*", box_2)
+ #reversible_binding_term_2 <- paste("+", f_free_bound, "*", k_compound, "*", box_1, "-",
+ # k_bound_free, "*", box_2)
}
diffs[[box_1]] <- paste(diffs[[box_1]], reversible_binding_term_1)
diffs[[box_2]] <- paste(diffs[[box_2]], reversible_binding_term_2)
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