#' Create saemix models from mmkin row objects #' #' This function sets up a nonlinear mixed effects model for an mmkin row #' object for use with the saemix package. An mmkin row object is essentially a #' list of mkinfit objects that have been obtained by fitting the same model to #' a list of datasets. #' #' Starting values for the fixed effects (population mean parameters, argument psi0 of #' [saemix::saemixModel()] are the mean values of the parameters found using #' mmkin. Starting variances of the random effects (argument omega.init) are the #' variances of the deviations of the parameters from these mean values. #' #' @param object An mmkin row object containing several fits of the same model to different datasets #' @param cores The number of cores to be used for multicore processing. #' On Windows machines, cores > 1 is currently not supported. #' @rdname saemix #' @importFrom saemix saemixData saemixModel #' @importFrom stats var #' @examples #' ds <- lapply(experimental_data_for_UBA_2019[6:10], #' function(x) subset(x$data[c("name", "time", "value")])) #' names(ds) <- paste("Dataset", 6:10) #' sfo_sfo <- mkinmod(parent = mkinsub("SFO", "A1"), #' A1 = mkinsub("SFO")) #' \dontrun{ #' f_mmkin <- mmkin(list("SFO-SFO" = sfo_sfo), ds, quiet = TRUE) #' library(saemix) #' m_saemix <- saemix_model(f_mmkin) #' d_saemix <- saemix_data(f_mmkin) #' saemix_options <- list(seed = 123456, #' save = FALSE, save.graphs = FALSE, displayProgress = FALSE, #' nbiter.saemix = c(200, 80)) #' f_saemix <- saemix(m_saemix, d_saemix, saemix_options) #' plot(f_saemix, plot.type = "convergence") #' } #' @return An [saemix::SaemixModel] object. #' @export saemix_model <- function(object, cores = parallel::detectCores()) { if (nrow(object) > 1) stop("Only row objects allowed") mkin_model <- object[[1]]$mkinmod analytical <- is.function(mkin_model$deg_func) degparms_optim <- mean_degparms(object) psi0 <- matrix(degparms_optim, nrow = 1) colnames(psi0) <- names(degparms_optim) degparms_fixed <- object[[1]]$bparms.fixed odeini_optim_parm_names <- grep('_0$', names(degparms_optim), value = TRUE) odeini_fixed_parm_names <- grep('_0$', names(degparms_fixed), value = TRUE) odeparms_fixed_names <- setdiff(names(degparms_fixed), odeini_fixed_parm_names) odeparms_fixed <- degparms_fixed[odeparms_fixed_names] odeini_fixed <- degparms_fixed[odeini_fixed_parm_names] names(odeini_fixed) <- gsub('_0$', '', odeini_fixed_parm_names) model_function <- function(psi, id, xidep) { uid <- unique(id) res_list <- parallel::mclapply(uid, function(i) { transparms_optim <- psi[i, ] names(transparms_optim) <- names(degparms_optim) odeini_optim <- transparms_optim[odeini_optim_parm_names] names(odeini_optim) <- gsub('_0$', '', odeini_optim_parm_names) odeini <- c(odeini_optim, odeini_fixed)[names(mkin_model$diffs)] ode_transparms_optim_names <- setdiff(names(transparms_optim), odeini_optim_parm_names) odeparms_optim <- backtransform_odeparms(transparms_optim[ode_transparms_optim_names], mkin_model, transform_rates = object[[1]]$transform_rates, transform_fractions = object[[1]]$transform_fractions) odeparms <- c(odeparms_optim, odeparms_fixed) xidep_i <- subset(xidep, id == i) if (analytical) { out_values <- mkin_model$deg_func(xidep_i, odeini, odeparms) } else { i_time <- xidep_i$time i_name <- xidep_i$name out_wide <- mkinpredict(mkin_model, odeparms = odeparms, odeini = odeini, solution_type = object[[1]]$solution_type, outtimes = sort(unique(i_time))) out_index <- cbind(as.character(i_time), as.character(i_name)) out_values <- out_wide[out_index] } return(out_values) }, mc.cores = cores) res <- unlist(res_list) return(res) } raneff_0 <- mean_degparms(object, random = TRUE)$random$ds var_raneff_0 <- apply(raneff_0, 2, var) res <- saemixModel(model_function, psi0, "Mixed model generated from mmkin object", transform.par = rep(0, length(degparms_optim)), omega.init = diag(var_raneff_0) ) return(res) } #' @rdname saemix #' @param \dots Further parameters passed to [saemix::saemixData] #' @return An [saemix::SaemixData] object. #' @export saemix_data <- function(object, ...) { if (nrow(object) > 1) stop("Only row objects allowed") ds_names <- colnames(object) ds_list <- lapply(object, function(x) x$data[c("time", "variable", "observed")]) names(ds_list) <- ds_names ds_saemix_all <- purrr::map_dfr(ds_list, function(x) x, .id = "ds") ds_saemix <- data.frame(ds = ds_saemix_all$ds, name = as.character(ds_saemix_all$variable), time = ds_saemix_all$time, value = ds_saemix_all$observed, stringsAsFactors = FALSE) res <- saemixData(ds_saemix, name.group = "ds", name.predictors = c("time", "name"), name.response = "value", ...) return(res) }