#' Estimation of parameter distributions from mmkin row objects #' #' This function sets up and attempts to fit a mixed effects model to #' an mmkin row object which is essentially a list of mkinfit objects #' that have been obtained by fitting the same model to a list of #' datasets. #' #' @param object An mmkin row object containing several fits of the same model to different datasets #' @param ... Additional arguments passed to \code{\link{nlme}} #' @importFrom nlme nlme #' @return A fitted object of class 'memkin' #' @examples #' sampling_times = c(0, 1, 3, 7, 14, 28, 60, 90, 120) #' m_SFO <- mkinmod(parent = mkinsub("SFO")) #' d_SFO_1 <- mkinpredict(m_SFO, #' c(k_parent_sink = 0.1), #' c(parent = 98), sampling_times) #' d_SFO_1_long <- mkin_wide_to_long(d_SFO_1, time = "time") #' d_SFO_2 <- mkinpredict(m_SFO, #' c(k_parent_sink = 0.05), #' c(parent = 102), sampling_times) #' d_SFO_2_long <- mkin_wide_to_long(d_SFO_2, time = "time") #' d_SFO_3 <- mkinpredict(m_SFO, #' c(k_parent_sink = 0.02), #' c(parent = 103), sampling_times) #' d_SFO_3_long <- mkin_wide_to_long(d_SFO_3, time = "time") #' #' d1 <- add_err(d_SFO_1, function(value) 3, n = 1) #' d2 <- add_err(d_SFO_2, function(value) 2, n = 1) #' d3 <- add_err(d_SFO_3, function(value) 4, n = 1) #' ds <- c(d1 = d1, d2 = d2, d3 = d3) #' #' f <- mmkin("SFO", ds) #' x <- memkin(f) #' #' @export memkin <- function(object, ...) { if (nrow(object) > 1) stop("Only row objects allowed") ds_names <- colnames(object) p_mat_start_trans <- sapply(object, parms, transformed = TRUE) colnames(p_mat_start_trans) <- ds_names p_names_mean_function <- setdiff(rownames(p_mat_start_trans), names(object[[1]]$errparms)) p_start_mean_function <- apply(p_mat_start_trans[p_names_mean_function, ], 1, mean) ds_list <- lapply(object, function(x) x$data[c("time", "variable", "observed")]) names(ds_list) <- ds_names ds_nlme <- purrr::map_dfr(ds_list, function(x) x, .id = "ds") ds_nlme_grouped <- groupedData(observed ~ time | ds, ds_nlme) mkin_model <- object[[1]]$mkinmod # Inspired by https://stackoverflow.com/a/12983961/3805440 # and https://stackoverflow.com/a/26280789/3805440 model_function_alist <- replicate(length(p_names_mean_function) + 2, substitute()) names(model_function_alist) <- c("name", "time", p_names_mean_function) model_function_body <- quote({ arg_frame <- as.data.frame(as.list((environment()))) res <- parent_0 * exp( - exp(log_k_parent_sink) * time) dump(c("arg_frame", "res"), file = "out_1.txt", append = TRUE) return(res) }) model_function <- as.function(c(model_function_alist, model_function_body)) f_nlme <- eval(parse(text = nlme_call_text)) model_function_body <- quote({ arg_frame <- as.data.frame(as.list((environment()))) res_frame <- arg_frame[1:2] parm_frame <- arg_frame[-(1:2)] parms_unique <- unique(parm_frame) n_unique <- nrow(parms_unique) times_ds <- list() names_ds <- list() for (i in 1:n_unique) { times_ds[[i]] <- arg_frame[which(arg_frame[[3]] == parms_unique[i, 1]), "time"] names_ds[[i]] <- arg_frame[which(arg_frame[[3]] == parms_unique[i, 1]), "name"] } res_list <- lapply(1:n_unique, function(x) { parms <- unlist(parms_unique[x, , drop = TRUE]) odeini_parm_names <- grep('_0$', names(parms), value = TRUE) odeparm_names <- setdiff(names(parms), odeini_parm_names) odeini <- parms[odeini_parm_names] names(odeini) <- gsub('_0$', '', odeini_parm_names) odeparms <- backtransform_odeparms(parms[odeparm_names], mkin_model) # TBD rates/fractions out_wide <- mkinpredict(mkin_model, odeparms = odeparms, solution_type = "analytical", odeini = odeini, outtimes = unique(times_ds[[x]])) out_array <- out_wide[, -1, drop = FALSE] rownames(out_array) <- as.character(unique(times_ds[[x]])) out_times <- as.character(times_ds[[x]]) out_names <- names_ds[[x]] out_values <- mapply(function(times, names) out_array[times, names], out_times, out_names) return(as.numeric(out_values)) }) res <- unlist(res_list) #dump(c("arg_frame", "res"), file = "out_2.txt", append = TRUE) return(res) }) model_function <- as.function(c(model_function_alist, model_function_body)) debug(model_function) f_nlme <- eval(parse(text = nlme_call_text)) undebug(model_function) model_function(c(0, 0, 100), parent_0 = 100, log_k_parent_sink = log(0.1)) nlme_call_text <- paste0( "nlme(observed ~ model_function(variable, time, ", paste(p_names_mean_function, collapse = ", "), "),\n", " data = ds_nlme_grouped,\n", " fixed = ", paste(p_names_mean_function, collapse = " + "), " ~ 1,\n", " random = pdDiag(", paste(p_names_mean_function, collapse = " + "), " ~ 1),\n", #" start = c(parent_0 = 100, log_k_parent_sink = log(0.1)), verbose = TRUE)\n") #" start = p_start_mean_function)\n") " start = p_start_mean_function, verbose = TRUE)\n") cat(nlme_call_text) f_nlme <- eval(parse(text = nlme_call_text)) return(f_nlme) }