context("saemix parent models") test_that("Parent fits using saemix are correctly implemented", { skip_on_cran() expect_error(saem(fits), "Only row objects") # SFO # mmkin_sfo_1 was generated in the setup script # We did not introduce variance of parent_0 in the data generation # This is correctly detected expect_equal(as.character(illparms(sfo_saem_1)), "sd(parent_0)") # So we have also done a fit without this variance expect_equal(as.character(illparms(sfo_saem_1_reduced)), character(0)) expect_silent(print(illparms(sfo_saem_1_reduced))) # We cannot currently do the fit with completely fixed initial values mmkin_sfo_2 <- update(mmkin_sfo_1, fixed_initials = c(parent = 100), cluster = NULL, cores = n_cores) sfo_saem_3 <- expect_error(saem(mmkin_sfo_2, quiet = TRUE), "at least two parameters") # We get an error if we do not supply a suitable model specification expect_error(update(mmkin_sfo_1, models = c("SFOOO")), "Please supply models.*") sfo_saem_1_mkin <- saem(mmkin_sfo_1, quiet = TRUE, transformations = "mkin") expect_equal(as.character(illparms(sfo_saem_1_mkin)), "sd(parent_0)") sfo_saem_1_reduced_mkin <- update(sfo_saem_1_mkin, no_random_effect = "parent_0") # The endpoints obtained do not depend on the transformation expect_equal(endpoints(sfo_saem_1), endpoints(sfo_saem_1_mkin), tol = 0.01) expect_equal(endpoints(sfo_saem_1_reduced), endpoints(sfo_saem_1_reduced_mkin), tol = 0.01) s_sfo_saem_1 <- summary(sfo_saem_1) s_sfo_saem_1_reduced <- summary(sfo_saem_1_reduced) s_sfo_saem_1_mkin <- summary(sfo_saem_1_mkin) s_sfo_saem_1_reduced_mkin <- summary(sfo_saem_1_reduced_mkin) sfo_nlme_1 <- expect_warning(nlme(mmkin_sfo_1), "not converge") s_sfo_nlme_1 <- summary(sfo_nlme_1) # Compare with input expect_equal(round(s_sfo_saem_1$confint_ranef["SD.k_parent", "est."], 1), 0.3, tol = 0.1) expect_equal(round(s_sfo_saem_1_mkin$confint_ranef["SD.log_k_parent", "est."], 1), 0.3, tol = 0.1) # k_parent is a bit different from input 0.03 here expect_equal(round(s_sfo_saem_1$confint_back["k_parent", "est."], 3), 0.033) expect_equal(round(s_sfo_saem_1_mkin$confint_back["k_parent", "est."], 3), 0.033) # But the result is pretty unanimous between methods expect_equal(round(s_sfo_saem_1_reduced$confint_back["k_parent", "est."], 3), round(s_sfo_saem_1$confint_back["k_parent", "est."], 3)) expect_equal(round(s_sfo_saem_1_mkin$confint_back["k_parent", "est."], 3), round(s_sfo_saem_1$confint_back["k_parent", "est."], 3)) expect_equal(round(s_sfo_saem_1_reduced_mkin$confint_back["k_parent", "est."], 3), round(s_sfo_saem_1$confint_back["k_parent", "est."], 3)) expect_equal(round(s_sfo_nlme_1$confint_back["k_parent", "est."], 3), round(s_sfo_saem_1$confint_back["k_parent", "est."], 3)) # Compare fits with heavy rounding to avoid platform dependent results anova_sfo <- anova( sfo_saem_1, sfo_saem_1_reduced, sfo_saem_1_mkin, sfo_saem_1_reduced_mkin, test = TRUE) anova_sfo_rounded <- round(anova_sfo, 0) expect_known_output(print(anova_sfo_rounded), file = "anova_sfo_saem.txt") # Check the influence of an invented covariate set.seed(123456) # In my first attempt I hit a false positive by chance... pH <- data.frame(pH = runif(15, 5, 8), row.names = as.character(1:15)) sfo_saem_pH <- update(sfo_saem_1_reduced_mkin, covariates = pH, covariate_models = list(log_k_parent ~ pH)) # We expect that this is not significantly better, as the covariate values were completely random expect_true(anova(sfo_saem_1_reduced_mkin, sfo_saem_pH, test = TRUE)[2, "Pr(>Chisq)"] > 0.05) # FOMC mmkin_fomc_1 <- mmkin("FOMC", ds_fomc, quiet = TRUE, error_model = "tc", cores = n_cores) fomc_saem_1 <- saem(mmkin_fomc_1, quiet = TRUE, transformations = "saemix", no_random_effect = "parent_0") fomc_pop <- as.numeric(attr(ds_fomc, "pop")) ci_fomc_s1 <- summary(fomc_saem_1)$confint_back expect_true(all(ci_fomc_s1[, "lower"] < fomc_pop)) expect_true(all(ci_fomc_s1[, "upper"] > fomc_pop)) fomc_saem_2 <- update(fomc_saem_1, transformations = "mkin") ci_fomc_s2 <- summary(fomc_saem_2)$confint_back expect_true(all(ci_fomc_s2[, "lower"] < fomc_pop)) expect_true(all(ci_fomc_s2[, "upper"] > fomc_pop)) expect_equal(endpoints(fomc_saem_1), endpoints(fomc_saem_2), tol = 0.01) # DFOP dfop_saem_2 <- saem(mmkin_dfop_1, quiet = TRUE, transformations = "saemix", no_random_effect = "parent_0") s_dfop_s1 <- summary(dfop_saem_1) # mkin transformations s_dfop_s2 <- summary(dfop_saem_2) # saemix transformations s_dfop_n <- summary(dfop_nlme_1) dfop_pop <- as.numeric(attr(ds_dfop, "pop")) expect_true(all(s_dfop_s1$confint_back[, "lower"] < dfop_pop)) expect_true(all(s_dfop_s1$confint_back[, "upper"] > dfop_pop)) expect_true(all(s_dfop_s2$confint_back[, "lower"] < dfop_pop)) expect_true(all(s_dfop_s2$confint_back[, "upper"] > dfop_pop)) # We get < 20% deviations with transformations made in mkin rel_diff_1 <- (s_dfop_s1$confint_back[, "est."] - dfop_pop) / dfop_pop expect_true(all(rel_diff_1 < 0.20)) # We get < 20% deviations with transformations made in saemix rel_diff_2 <- (s_dfop_s2$confint_back[, "est."] - dfop_pop) / dfop_pop expect_true(all(rel_diff_2 < 0.2)) # SFORB mmkin_sforb_1 <- mmkin("SFORB", ds_dfop, quiet = TRUE, cores = n_cores) sforb_saem_1 <- saem(mmkin_sforb_1, quiet = TRUE, no_random_effect = c("parent_free_0"), transformations = "mkin") sforb_saem_2 <- saem(mmkin_sforb_1, quiet = TRUE, no_random_effect = c("parent_free_0"), transformations = "saemix") expect_equal( log(endpoints(dfop_saem_1)$distimes[1:2]), log(endpoints(sforb_saem_1)$distimes[1:2]), tolerance = 0.01) expect_equal( log(endpoints(sforb_saem_1)$distimes[1:2]), log(endpoints(sforb_saem_2)$distimes[1:2]), tolerance = 0.01) mmkin_hs_1 <- mmkin("HS", ds_hs, quiet = TRUE, error_model = "const", cores = n_cores) hs_saem_1 <- saem(mmkin_hs_1, quiet = TRUE, no_random_effect = "parent_0") hs_saem_2 <- saem(mmkin_hs_1, quiet = TRUE, transformations = "mkin", no_random_effect = "parent_0") expect_equal(endpoints(hs_saem_1), endpoints(hs_saem_2), tol = 0.01) ci_hs_s1 <- summary(hs_saem_1)$confint_back hs_pop <- as.numeric(attr(ds_hs, "pop")) #expect_true(all(ci_hs_s1[, "lower"] < hs_pop)) # k1 is overestimated expect_true(all(ci_hs_s1[, "upper"] > hs_pop)) }) test_that("We can also use mkin solution methods for saem", { expect_error(saem(mmkin_dfop_1, quiet = TRUE, transformations = "saemix", solution_type = "analytical"), "saemix transformations is only supported if an analytical solution is implemented" ) skip("This still takes almost 2.5 minutes although we do not solve ODEs") dfop_saem_3 <- saem(mmkin_dfop_1, quiet = TRUE, transformations = "mkin", solution_type = "analytical", no_random_effect = c("parent_0", "g_qlogis")) distimes_dfop <- endpoints(dfop_saem_1)$distimes distimes_dfop_analytical <- endpoints(dfop_saem_3)$distimes rel_diff <- abs(distimes_dfop_analytical - distimes_dfop) / distimes_dfop expect_true(all(rel_diff < 0.01)) })