context("Evaluations according to 2015 NAFTA guidance") test_that("Data for more than one compound are rejected", expect_error(nafta(FOCUS_2006_D, cores = 1))) test_that("Test data from Appendix B are correctly evaluated", { skip_on_cran() expect_message(res <- nafta(NAFTA_SOP_Appendix_B, "aerobic aquatic", cores = 1)) # From Figure D.1 dtx_sop <- matrix(c(2.74, 1.37, 2.17, 9.1, 28.5, 39.9), nrow = 3, ncol = 2) expect_equivalent(signif(res$distimes[, 1:2], 3), dtx_sop) C0_sop <- c(SFO = 51.2, IORE = 51.7, DFOP = 51.7) C0_mkin <- sapply(res$parameters, function(x) x["parent_0", "Estimate"]) expect_equivalent(C0_mkin, C0_sop, scale = 1, tolerance = 0.1) expect_equal(signif(res$S_c, 3), 26.9) expect_equal(signif(res$S[["SFO"]], 3), 174) expect_equal(signif(res$t_rep, 3), 8.57) expect_known_output(print(res), "NAFTA_SOP_Appendix_B.txt") plot_nafta <- function() plot(res) vdiffr::expect_doppelganger("NAFTA SOP Appendix B", plot_nafta) }) test_that("Test data from Appendix D are correctly evaluated", { skip_on_cran() # We are not interested in the warnings about non-normal residuals here suppressWarnings( res <- nafta(NAFTA_SOP_Appendix_D, "MRID 555555", cores = 1, quiet = TRUE) ) # From Figure D.1 dtx_sop <- matrix(c(407, 541, 429, 1352, 5192066, 2383), nrow = 3, ncol = 2) expect_equivalent(round(res$distimes[, 1:2]), dtx_sop, tolerance = 0.00001) C0_sop <- c(SFO = 83.8, IORE = 96.9, DFOP = 97.6) C0_mkin <- sapply(res$parameters, function(x) x["parent_0", "Estimate"]) expect_equivalent(C0_mkin, C0_sop, scale = 1, tolerance = 0.1) expect_equal(round(res$S_c), 717) expect_equal(signif(res$S[["SFO"]], 3), 1.38e+3) expect_equal(round(res$t_rep), 841) expect_known_output(print(res), "NAFTA_SOP_Appendix_D.txt") plot_nafta <- function() plot(res) vdiffr::expect_doppelganger("Plot NAFTA analysis", plot_nafta) })