# Copyright (C) 2017 Johannes Ranke # Contact: jranke@uni-bremen.de # This file is part of the R package pfm # This program is free software: you can redistribute it and/or modify it under # the terms of the GNU General Public License as published by the Free Software # Foundation, either version 3 of the License, or (at your option) any later # version. # This program is distributed in the hope that it will be useful, but WITHOUT # ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU General Public License for more # details. # You should have received a copy of the GNU General Public License along with # this program. If not, see #' Create a time series of decline data #' #' The time series starts with the amount specified for the first application. #' This does not create objects of type \code{\link{ts}}. #' #' @param x When numeric, this is the half-life to be used for an exponential #' decline. If x is an mkinfit object, the decline is calculated from this object #' @param t_end End of the time series #' @param res Resolution of the time series #' @param ... Further arguments passed to methods #' @importFrom stats filter frequency time ts #' @export #' @examples #' # Only use a half-life #' pred_0 <- one_box(10) #' plot(pred_0) #' #' # Use a fitted mkinfit model #' require(mkin) #' fit <- mkinfit("FOMC", FOCUS_2006_C) #' pred_1 <- one_box(fit) #' plot(pred_1) #' #' # Use a model with more than one observed variable #' m_2 <- mkinmod(parent = mkinsub("SFO", "m1"), m1 = mkinsub("SFO")) #' fit_2 <- mkinfit(m_2, FOCUS_2006_D) #' pred_2 <- one_box(fit_2) #' plot(pred_2) one_box <- function(x, t_end = 100, res = 0.01, ...) { UseMethod("one_box") } #' @rdname one_box #' @export one_box.numeric <- function(x, t_end = 100, res = 0.01, ...) { half_life = x k = log(2)/half_life t_out <- seq(0, t_end, by = res) raw <- matrix(exp( - k * t_out), ncol = 1) dimnames(raw) <- list(NULL, "parent") result <- ts(raw, 0, t_end, frequency = 1/res) class(result) <- c("one_box", "ts") return(result) } #' @rdname one_box #' @importFrom mkin mkinpredict #' @export one_box.mkinfit <- function(x, t_end = 100, res = 0.01, ...) { fit <- x t_out = seq(0, t_end, by = res) odeini <- c(1, rep(0, length(fit$mkinmod$spec) - 1)) names(odeini) <- names(fit$mkinmod$spec) if (length(fit$mkinmod$spec) == 1) solution_type = "analytical" else solution_type = "deSolve" tmp <- mkinpredict(fit$mkinmod, odeparms = fit$bparms.ode, odeini = odeini, outtimes = t_out, solution_type = solution_type)[-1] result <- ts(tmp, 0, t_end, frequency = 1/res) class(result) <- c("one_box", "ts") return(result) } #' Plot time series of decline data #' #' @param x The object of type \code{\link{one_box}} to be plotted #' @param xlim Limits for the x axis #' @param ylim Limits for the y axis #' @param xlab Label for the x axis #' @param ylab Label for the y axis #' @param max_twa If a numeric value is given, the maximum time weighted #' average concentration(s) is/are shown in the graph. #' @param max_twa_var Variable for which the maximum time weighted average should #' be shown if max_twa is not NULL. #' @param ... Further arguments passed to methods #' @importFrom stats plot.ts #' @export #' @examples #' plot(sawtooth(one_box(10), 3, 7), max_twa = 21) plot.one_box <- function(x, xlim = range(time(x)), ylim = c(0, max(x)), xlab = "Time", ylab = "Fraction of initial", max_twa = NULL, max_twa_var = dimnames(x)[[2]][1], ...) { obs_vars <- dimnames(x)[[2]] plot.ts(x, plot.type = "single", xlab = xlab, ylab = ylab, lty = 1:length(obs_vars), col = 1:length(obs_vars), las = 1, xlim = xlim, ylim = ylim) if (!is.null(max_twa)) { x_twa <- max_twa(x, window = max_twa) value <- x_twa$max[max_twa_var] rect(x_twa$window_start[max_twa_var], 0, x_twa$window_end[max_twa_var], value, col = "grey") text(x_twa$window_end[max_twa_var], value, paste("Maximum:", signif(value, 3)), pos = 4) # Plot a second time to cover the grey rectangle matlines(time(x), as.matrix(x), lty = 1:length(obs_vars), col = 1:length(obs_vars)) } } #' Create decline time series for multiple applications #' #' If the number of application cycles \code{n} is greater than 1, the #' application pattern specified in \code{applications} is repeated \code{n} #' times, with an interval \code{i}. #' @param x A \code{\link{one_box}} object #' @param n The number of applications. If \code{applications} is specified, \code{n} is not used #' @param i The interval between applications. If \code{applications} is specified, \code{i} #' is not used #' @param applications A data frame holding the application times in the first column and #' the corresponding amounts applied in the second column for each application cycle. #' If \code{n} is one, the application pattern specified here is used only once. #' @export #' @examples #' applications = data.frame(time = seq(0, 14, by = 7), amount = c(1, 2, 3)) #' pred <- one_box(10) #' plot(sawtooth(pred, applications = applications)) #' #' m_2 <- mkinmod(parent = mkinsub("SFO", "m1"), m1 = mkinsub("SFO")) #' fit_2 <- mkinfit(m_2, FOCUS_2006_D) #' pred_2 <- one_box(fit_2) #' pred_2_saw <- sawtooth(pred_2, 2, 7) #' plot(pred_2_saw, max_twa = 21, max_twa_var = "m1") #' #' max_twa(pred_2_saw) sawtooth <- function(x, n = 1, i = 365, applications = data.frame(time = seq(0, 0 + n * i, length.out = n), amount = 1)) { n_obs = ncol(as.matrix(x)) t_end = max(time(x)) freq = frequency(x) empty <- ts(matrix(0, nrow = t_end * freq, ncol = n_obs), 0, t_end, freq) result <- empty for (i_app in 1:nrow(applications)) { t_app <- applications[i_app, "time"] amount_app <- applications[i_app, "amount"] if (t_app == 0) { result <- result + x * amount_app } else { lag_phase <- as.matrix(empty)[1:(t_app * freq), , drop = FALSE] app_phase <- amount_app * as.matrix(x)[1:((t_end - t_app) * freq + 1), , drop = FALSE] app_ts <- ts(rbind(lag_phase, app_phase), 0, t_end, frequency = freq) result <- result + app_ts } } class(result) = c("one_box", "ts") dimnames(result) <- dimnames(x) return(result) } #' Calculate a time weighted average concentration #' #' The moving average is built only using the values in the past, so #' the earliest possible time for the maximum in the time series returned #' is after one window has passed. #' #' @param x An object of type \code{\link{one_box}} #' @param window The size of the moving window #' @seealso max_twa #' @export #' @examples #' pred <- sawtooth(one_box(10), #' applications = data.frame(time = c(0, 7), amount = c(1, 1))) #' max_twa(pred) twa <- function(x, window = 21) UseMethod("twa") #' @rdname twa #' @export twa.one_box <- function(x, window = 21) { resolution = 1/frequency(x) n_filter = window/resolution result = filter(x, rep(1/n_filter, n_filter), method = "convolution", sides = 1) class(result) = c("one_box", "ts") dimnames(result) <- dimnames(x) return(result) } #' The maximum time weighted average concentration for a moving window #' #' @seealso twa #' @inheritParams twa #' @export max_twa <- function(x, window = 21) UseMethod("max_twa") #' @export max_twa.one_box <- function(x, window = 21) { freq = frequency(x) twa_ts <- twa(x, window = window) window_end <- apply(twa_ts, 2, which.max) / freq result <- list() result$max <- apply(twa_ts, 2, max, na.rm = TRUE) result$window_start <- window_end - window result$window_end <- window_end return(result) }