diff options
Diffstat (limited to 'R/nlme.mmkin.R')
-rw-r--r-- | R/nlme.mmkin.R | 100 |
1 files changed, 96 insertions, 4 deletions
diff --git a/R/nlme.mmkin.R b/R/nlme.mmkin.R index 2ee46f33..6e3467ed 100644 --- a/R/nlme.mmkin.R +++ b/R/nlme.mmkin.R @@ -32,9 +32,52 @@ #' f <- mmkin("SFO", ds, quiet = TRUE, cores = 1) #' library(nlme) #' f_nlme <- nlme(f) -#' nlme(f, random = parent_0 ~ 1) -#' f_nlme <- nlme(f, start = c(parent_0 = 100, log_k_parent_sink = 0.1)) -#' update(f_nlme, random = parent_0 ~ 1) +#' print(f_nlme) +#' f_nlme_2 <- nlme(f, start = c(parent_0 = 100, log_k_parent_sink = 0.1)) +#' update(f_nlme_2, random = parent_0 ~ 1) +#' \dontrun{ +#' # Test on some real data +#' ds_2 <- lapply(experimental_data_for_UBA_2019[6:10], +#' function(x) x$data[c("name", "time", "value")]) +#' m_sfo_sfo <- mkinmod(parent = mkinsub("SFO", "A1"), +#' A1 = mkinsub("SFO"), use_of_ff = "min", quiet = TRUE) +#' m_sfo_sfo_ff <- mkinmod(parent = mkinsub("SFO", "A1"), +#' A1 = mkinsub("SFO"), use_of_ff = "max", quiet = TRUE) +#' m_fomc_sfo <- mkinmod(parent = mkinsub("FOMC", "A1"), +#' A1 = mkinsub("SFO"), quiet = TRUE) +#' m_dfop_sfo <- mkinmod(parent = mkinsub("DFOP", "A1"), +#' A1 = mkinsub("SFO"), quiet = TRUE) +#' +#' f_2 <- mmkin(list("SFO-SFO" = m_sfo_sfo, +#' "SFO-SFO-ff" = m_sfo_sfo_ff, +#' "FOMC-SFO" = m_fomc_sfo, +#' "DFOP-SFO" = m_dfop_sfo), +#' ds_2, quiet = TRUE) +#' plot(f_2["SFO-SFO", 3:4]) # Separate fits for datasets 3 and 4 +#' +#' f_nlme_sfo_sfo <- nlme(f_2["SFO-SFO", ]) +#' # plot(f_nlme_sfo_sfo) # not feasible with pkgdown figures +#' plot(f_nlme_sfo_sfo, 3:4) # Global mixed model: Fits for datasets 3 and 4 +#' +#' # With formation fractions +#' f_nlme_sfo_sfo_ff <- nlme(f_2["SFO-SFO-ff", ]) +#' plot(f_nlme_sfo_sfo_ff, 3:4) # chi2 different due to different df attribution +#' +#' # For more parameters, we need to increase pnlsMaxIter and the tolerance +#' # to get convergence +#' f_nlme_fomc_sfo <- nlme(f_2["FOMC-SFO", ], +#' control = list(pnlsMaxIter = 100, tolerance = 1e-4), verbose = TRUE) +#' f_nlme_dfop_sfo <- nlme(f_2["DFOP-SFO", ], +#' control = list(pnlsMaxIter = 120, tolerance = 5e-4), verbose = TRUE) +#' plot(f_2["FOMC-SFO", 3:4]) +#' plot(f_nlme_fomc_sfo, 3:4) +#' +#' plot(f_2["DFOP-SFO", 3:4]) +#' plot(f_nlme_dfop_sfo, 3:4) +#' +#' anova(f_nlme_dfop_sfo, f_nlme_fomc_sfo, f_nlme_sfo_sfo) +#' anova(f_nlme_dfop_sfo, f_nlme_sfo_sfo) # if we ignore FOMC +#' } # Code inspired by nlme.nlsList nlme.mmkin <- function(model, data = sys.frame(sys.parent()), fixed, random = fixed, @@ -68,7 +111,7 @@ nlme.mmkin <- function(model, data = sys.frame(sys.parent()), thisCall[["data"]] <- nlme_data(model) if (missing(start)) { - thisCall[["start"]] <- mean_dp + thisCall[["start"]] <- mean_degparms(model, random = TRUE) } thisCall[["fixed"]] <- lapply(as.list(dp_names), function(el) @@ -84,3 +127,52 @@ nlme.mmkin <- function(model, data = sys.frame(sys.parent()), return(val) } +#' @export +#' @rdname nlme.mmkin +#' @param x An nlme.mmkin object to print +#' @param data Should the data be printed? +#' @param ... Further arguments as in the generic +print.nlme.mmkin <- function(x, ...) { + x$call$data <- "Not shown" + NextMethod("print", x) +} + +#' @export +#' @rdname nlme.mmkin +#' @param object An nlme.mmkin object to update +#' @param ... Update specifications passed to update.nlme +update.nlme.mmkin <- function(object, ...) { + res <- NextMethod() + res$mmkin_orig <- object$mmkin_orig + class(res) <- c("nlme.mmkin", "nlme", "lme") + return(res) +} + +# The following is necessary as long as R bug 17761 is not fixed +# https://bugs.r-project.org/bugzilla/show_bug.cgi?id=17761 +#' @export +anova.nlme.mmkin <- function(object, ...) { + thisCall <- as.list(match.call())[-1] + object_name <- as.character(thisCall[[1]]) + other_object_names <- sapply(thisCall[-1], as.character) + + remove_class <- function(object, classname) { + old_class <- class(object) + class(object) <- setdiff(old_class, classname) + return(object) + } + object <- remove_class(object, "nlme.mmkin") + other_objects <- list(...) + other_objects <- lapply(other_objects, remove_class, "nlme.mmkin") + + env <- new.env() + assign(object_name, object, env) + for (i in seq_along(other_objects)) { + assign(other_object_names[i], other_objects[[i]], env) + } + res <- eval(parse(text = paste0("anova.lme(", object_name, ", ", + paste(other_object_names, collapse = ", "), ")")), + envir = env) + + return(res) +} |