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# Copyright (C) 2015,2019 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("Results for FOCUS D established in expertise for UBA (Ranke 2014)")
# Results are from p. 40
test_that("Fits without formation fractions are correct for FOCUS D", {
fit.default <- expect_warning(mkinfit(SFO_SFO, FOCUS_2006_D, quiet = TRUE), "value of zero")
expect_equal(round(as.numeric(endpoints(fit.default)$distimes["parent", ]), 2),
c(7.02, 23.33))
expect_equal(round(as.numeric(endpoints(fit.default)$distimes["m1", ]), 1),
c(131.8, 437.7))
})
test_that("Fits with formation fractions are correct for FOCUS D", {
skip_on_cran()
fit.ff <- expect_warning(mkinfit(SFO_SFO.ff, FOCUS_2006_D, quiet = TRUE), "value of zero")
expect_equivalent(round(fit.ff$bparms.optim, c(2, 4, 4, 4)),
c(99.60, 0.0987, 0.0053, 0.5145))
expect_equivalent(round(100 * mkinerrmin(fit.ff)$err.min, 2),
c(6.40, 6.46, 4.69))
expect_equal(round(as.numeric(endpoints(fit.ff)$distimes["parent", ]), 2),
c(7.02, 23.33))
expect_equal(round(as.numeric(endpoints(fit.ff)$distimes["m1", ]), 1),
c(131.8, 437.7))
})
test_that("Fits without internal transformations are correct for FOCUS D", {
skip_on_cran()
expect_warning(
fit.ff.notrans <- mkinfit(SFO_SFO.ff, FOCUS_2006_D,
transform_fractions = FALSE, transform_rates = FALSE, quiet = TRUE),
"sum of formation fractions")
expect_equivalent(round(fit.ff.notrans$bparms.optim, c(2, 4, 4, 4)),
c(99.60, 0.0987, 0.0053, 0.5145))
expect_equivalent(round(100 * mkinerrmin(fit.ff.notrans)$err.min, 2),
c(6.40, 6.46, 4.69))
expect_equal(round(as.numeric(endpoints(fit.ff.notrans)$distimes["parent", ]), 2),
c(7.02, 23.33))
expect_equal(round(as.numeric(endpoints(fit.ff.notrans)$distimes["m1", ]), 1),
c(131.8, 437.7))
})
# References:
# Ranke (2014) Prüfung und Validierung von Modellierungssoftware als Alternative
# zu ModelMaker 4.0, Umweltbundesamt Projektnummer 27452
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