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# Copyright (C) 2016,2017,2018 Johannes Ranke
# Contact: jranke@uni-bremen.de
# This file is part of the R package mkin
# mkin 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 <http://www.gnu.org/licenses/>
context("Calculation of maximum time weighted average concentrations (TWAs)")
test_that("Time weighted average concentrations are correct", {
skip_on_cran()
twa_models <- c("SFO", "FOMC", "DFOP", "HS")
fits <- mmkin(twa_models,
list(FOCUS_C = FOCUS_2006_C, FOCUS_D = FOCUS_2006_D),
quiet = TRUE, cores = 8)
outtimes_10 <- seq(0, 10, length.out = 10000)
for (ds in c("FOCUS_C", "FOCUS_D")) {
for (model in twa_models) {
fit <- fits[[model, ds]]
bpar <- summary(fit)$bpar[, "Estimate"]
pred_10 <- mkinpredict(fit$mkinmod,
odeparms = bpar[2:length(bpar)],
odeini = c(parent = bpar[[1]]),
outtimes = outtimes_10)
twa_num <- mean(pred_10$parent)
names(twa_num) <- 10
twa_ana <- max_twa_parent(fit, 10)
# Test for absolute difference (scale = 1)
# The tolerance can be reduced if the length of outtimes is increased,
# but this needs more computing time so we stay with lenght.out = 10k
expect_equal(twa_num, twa_ana, tolerance = 0.003, scale = 1)
}
}
})
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