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