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", {
expect_warning(
fit.noff <- mkinfit(SFO_SFO, FOCUS_D, quiet = TRUE, test_residuals = TRUE),
"Shapiro-Wilk")
expect_equal(round(as.numeric(endpoints(fit.noff)$distimes["parent", ]), 2),
c(7.02, 23.33))
expect_equal(round(as.numeric(endpoints(fit.noff)$distimes["m1", ]), 1),
c(131.8, 437.7))
})
test_that("Fits with formation fractions are correct for FOCUS D", {
fit.ff <- f_sfo_sfo.ff
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(
# Analytical solutions (now the default for SFO_SFO with formation fractions)
# return NA at some point not internally transforming rates
expect_error(fit.ff.notrans <- mkinfit(SFO_SFO.ff, FOCUS_D,
transform_fractions = FALSE, transform_rates = FALSE, quiet = TRUE)))
expect_warning(
fit.ff.notrans <- mkinfit(SFO_SFO.ff, FOCUS_2006_D,
transform_fractions = FALSE, transform_rates = FALSE,
quiet = TRUE, solution_type = "deSolve"),
"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
