diff options
Diffstat (limited to 'tests/testthat')
| -rw-r--r-- | tests/testthat/_snaps/plot/mixed-model-fit-for-nlme-object.svg | 2402 | ||||
| -rw-r--r-- | tests/testthat/_snaps/plot/mixed-model-fit-for-saem-object-with-mkin-transformations.svg | 2488 | ||||
| -rw-r--r-- | tests/testthat/_snaps/plot/mixed-model-fit-for-saem-object-with-saemix-transformations.svg | 721 | ||||
| -rw-r--r-- | tests/testthat/print_mmkin_biphasic_mixed.txt | 6 | ||||
| -rw-r--r-- | tests/testthat/print_nlme_biphasic.txt | 10 | ||||
| -rw-r--r-- | tests/testthat/print_sfo_saem_1.txt | 16 | ||||
| -rw-r--r-- | tests/testthat/setup_script.R | 33 | ||||
| -rw-r--r-- | tests/testthat/summary_nlme_biphasic_s.txt | 46 | ||||
| -rw-r--r-- | tests/testthat/summary_saem_biphasic_s.txt | 77 | ||||
| -rw-r--r-- | tests/testthat/test_mixed.R | 145 | ||||
| -rw-r--r-- | tests/testthat/test_nlme.R | 2 | ||||
| -rw-r--r-- | tests/testthat/test_nlmixr.r | 99 | ||||
| -rw-r--r-- | tests/testthat/test_plot.R | 11 |
13 files changed, 4816 insertions, 1240 deletions
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f_parent_to_m1 * ((k1 * g * exp(-k1 * time) + k2 * (1 - g) exp(-k2 * time))) * parent - k_m1 * m1 Data: -509 observations of 2 variable(s) grouped in 15 datasets +507 observations of 2 variable(s) grouped in 15 datasets <mmkin> object Status of individual fits: @@ -21,6 +21,6 @@ OK: No warnings Mean fitted parameters: parent_0 log_k_m1 f_parent_qlogis log_k1 log_k2 - 100.702 -5.347 -0.078 -2.681 -4.366 + 100.667 -5.378 -0.095 -2.743 -4.510 g_qlogis - -0.335 + -0.180 diff --git a/tests/testthat/print_nlme_biphasic.txt b/tests/testthat/print_nlme_biphasic.txt index f86bda76..f40d438d 100644 --- a/tests/testthat/print_nlme_biphasic.txt +++ b/tests/testthat/print_nlme_biphasic.txt @@ -9,21 +9,21 @@ d_m1/dt = + f_parent_to_m1 * ((k1 * g * exp(-k1 * time) + k2 * (1 - g) exp(-k2 * time))) * parent - k_m1 * m1 Data: -509 observations of 2 variable(s) grouped in 15 datasets +507 observations of 2 variable(s) grouped in 15 datasets -Log-likelihood: -1329 +Log-likelihood: -1326 Fixed effects: list(parent_0 ~ 1, log_k_m1 ~ 1, f_parent_qlogis ~ 1, log_k1 ~ 1, log_k2 ~ 1, g_qlogis ~ 1) parent_0 log_k_m1 f_parent_qlogis log_k1 log_k2 - 100.43 -5.34 -0.08 -2.90 -4.34 + 100.7 -5.4 -0.1 -2.8 -4.5 g_qlogis - -0.19 + -0.1 Random effects: Formula: list(parent_0 ~ 1, log_k_m1 ~ 1, f_parent_qlogis ~ 1, log_k1 ~ 1, log_k2 ~ 1, g_qlogis ~ 1) Level: ds Structure: Diagonal parent_0 log_k_m1 f_parent_qlogis log_k1 log_k2 g_qlogis Residual -StdDev: 1 0.1 0.3 0.6 0.5 0.3 3 +StdDev: 1 0.03 0.3 0.3 0.2 0.3 3 diff --git a/tests/testthat/print_sfo_saem_1.txt b/tests/testthat/print_sfo_saem_1.txt index d341e9e7..0c0e32ce 100644 --- a/tests/testthat/print_sfo_saem_1.txt +++ b/tests/testthat/print_sfo_saem_1.txt @@ -3,19 +3,19 @@ Structural model: d_parent/dt = - k_parent * parent Data: -264 observations of 1 variable(s) grouped in 15 datasets +262 observations of 1 variable(s) grouped in 15 datasets Likelihood computed by importance sampling AIC BIC logLik - 1320 1324 -654 + 1310 1315 -649 Fitted parameters: estimate lower upper -parent_0 1e+02 98.78 1e+02 +parent_0 1e+02 98.87 1e+02 k_parent 4e-02 0.03 4e-02 -Var.parent_0 8e-01 -1.76 3e+00 -Var.k_parent 9e-02 0.03 2e-01 -a.1 9e-01 0.70 1e+00 -b.1 4e-02 0.03 4e-02 -SD.parent_0 9e-01 -0.57 2e+00 +Var.parent_0 1e+00 -1.72 5e+00 +Var.k_parent 1e-01 0.03 2e-01 +a.1 9e-01 0.75 1e+00 +b.1 5e-02 0.04 5e-02 +SD.parent_0 1e+00 -0.12 3e+00 SD.k_parent 3e-01 0.20 4e-01 diff --git a/tests/testthat/setup_script.R b/tests/testthat/setup_script.R index 547b2d6c..96e865d4 100644 --- a/tests/testthat/setup_script.R +++ b/tests/testthat/setup_script.R @@ -106,6 +106,7 @@ const <- function(value) 2 set.seed(123456) SFO <- mkinmod(parent = mkinsub("SFO")) k_parent = rlnorm(n, log(0.03), log_sd) +set.seed(123456) ds_sfo <- lapply(1:n, function(i) { ds_mean <- mkinpredict(SFO, c(k_parent = k_parent[i]), c(parent = 100), sampling_times) @@ -118,6 +119,7 @@ fomc_pop <- list(parent_0 = 100, alpha = 2, beta = 8) fomc_parms <- as.matrix(data.frame( alpha = rlnorm(n, log(fomc_pop$alpha), 0.4), beta = rlnorm(n, log(fomc_pop$beta), 0.2))) +set.seed(123456) ds_fomc <- lapply(1:3, function(i) { ds_mean <- mkinpredict(FOMC, fomc_parms[i, ], c(parent = 100), sampling_times) @@ -131,6 +133,7 @@ dfop_parms <- as.matrix(data.frame( k1 = rlnorm(n, log(dfop_pop$k1), log_sd), k2 = rlnorm(n, log(dfop_pop$k2), log_sd), g = plogis(rnorm(n, qlogis(dfop_pop$g), log_sd)))) +set.seed(123456) ds_dfop <- lapply(1:n, function(i) { ds_mean <- mkinpredict(DFOP, dfop_parms[i, ], c(parent = dfop_pop$parent_0), sampling_times) @@ -144,6 +147,7 @@ hs_parms <- as.matrix(data.frame( k1 = rlnorm(n, log(hs_pop$k1), log_sd), k2 = rlnorm(n, log(hs_pop$k2), log_sd), tb = rlnorm(n, log(hs_pop$tb), 0.1))) +set.seed(123456) ds_hs <- lapply(1:10, function(i) { ds_mean <- mkinpredict(HS, hs_parms[i, ], c(parent = hs_pop$parent_0), sampling_times) @@ -171,6 +175,7 @@ ds_biphasic_mean <- lapply(1:n_biphasic, c(parent = 100, m1 = 0), sampling_times) } ) +set.seed(123456) ds_biphasic <- lapply(ds_biphasic_mean, function(ds) { add_err(ds, sdfunc = function(value) sqrt(err_1$const^2 + value^2 * err_1$prop^2), @@ -178,6 +183,10 @@ ds_biphasic <- lapply(ds_biphasic_mean, function(ds) { }) # Mixed model fits +saemix_available <- FALSE +if (requireNamespace("saemix", quietly = TRUE)) { + if(packageVersion("saemix") >= "3.1.9000") saemix_available <- TRUE +} mmkin_sfo_1 <- mmkin("SFO", ds_sfo, quiet = TRUE, error_model = "tc", cores = n_cores) mmkin_dfop_1 <- mmkin("DFOP", ds_dfop, quiet = TRUE, cores = n_cores) mmkin_biphasic <- mmkin(list("DFOP-SFO" = DFOP_SFO), ds_biphasic, quiet = TRUE, cores = n_cores) @@ -186,6 +195,26 @@ mmkin_biphasic_mixed <- mixed(mmkin_biphasic) dfop_nlme_1 <- nlme(mmkin_dfop_1) nlme_biphasic <- nlme(mmkin_biphasic) +if (saemix_available) { + sfo_saem_1 <- saem(mmkin_sfo_1, quiet = TRUE, transformations = "saemix") + + # With default control parameters, we do not get good results with mkin + # transformations here + dfop_saemix_1 <- saem(mmkin_dfop_1, quiet = TRUE, transformations = "mkin", + control = list( + displayProgress = FALSE, print = FALSE, save = FALSE, save.graphs = FALSE, + rw.init = 1, nbiter.saemix = c(600, 100)) + ) + dfop_saemix_2 <- saem(mmkin_dfop_1, quiet = TRUE, transformations = "saemix", + control = list( + displayProgress = FALSE, print = FALSE, save = FALSE, save.graphs = FALSE, + rw.init = 0.5, nbiter.saemix = c(600, 100)) + ) + + saem_biphasic_m <- saem(mmkin_biphasic, transformations = "mkin", quiet = TRUE) + saem_biphasic_s <- saem(mmkin_biphasic, transformations = "saemix", quiet = TRUE) +} + ds_uba <- lapply(experimental_data_for_UBA_2019[6:10], function(x) subset(x$data[c("name", "time", "value")])) names(ds_uba) <- paste("Dataset", 6:10) @@ -197,3 +226,7 @@ f_uba_mmkin <- mmkin(list("SFO-SFO" = sfo_sfo_uba, "DFOP-SFO" = dfop_sfo_uba), ds_uba, quiet = TRUE, cores = n_cores) f_uba_dfop_sfo_mixed <- mixed(f_uba_mmkin[2, ]) +if (saemix_available) { + f_uba_sfo_sfo_saem <- saem(f_uba_mmkin["SFO-SFO", ], quiet = TRUE, transformations = "saemix") + f_uba_dfop_sfo_saem <- saem(f_uba_mmkin["DFOP-SFO", ], quiet = TRUE, transformations = "saemix") +} diff --git a/tests/testthat/summary_nlme_biphasic_s.txt b/tests/testthat/summary_nlme_biphasic_s.txt index 65aead62..86049775 100644 --- a/tests/testthat/summary_nlme_biphasic_s.txt +++ b/tests/testthat/summary_nlme_biphasic_s.txt @@ -13,19 +13,19 @@ d_m1/dt = + f_parent_to_m1 * ((k1 * g * exp(-k1 * time) + k2 * (1 - g) exp(-k2 * time))) * parent - k_m1 * m1 Data: -509 observations of 2 variable(s) grouped in 15 datasets +507 observations of 2 variable(s) grouped in 15 datasets Model predictions using solution type analytical -Fitted in test time 0 s using 3 iterations +Fitted in test time 0 s using 4 iterations Variance model: Constant variance Mean of starting values for individual parameters: parent_0 log_k_m1 f_parent_qlogis log_k1 log_k2 - 100.70 -5.35 -0.08 -2.68 -4.37 + 100.67 -5.38 -0.09 -2.74 -4.51 g_qlogis - -0.33 + -0.18 Fixed degradation parameter values: value type @@ -34,40 +34,40 @@ m1_0 0 state Results: AIC BIC logLik - 2683 2738 -1329 + 2678 2733 -1326 Optimised, transformed parameters with symmetric confidence intervals: - lower est. upper -parent_0 99.6 100.43 101.26 -log_k_m1 -5.5 -5.34 -5.18 -f_parent_qlogis -0.3 -0.08 0.09 -log_k1 -3.2 -2.90 -2.60 -log_k2 -4.6 -4.34 -4.07 -g_qlogis -0.5 -0.19 0.08 + lower est. upper +parent_0 99.8 100.7 101.62 +log_k_m1 -5.6 -5.4 -5.25 +f_parent_qlogis -0.3 -0.1 0.06 +log_k1 -3.0 -2.8 -2.57 +log_k2 -4.7 -4.5 -4.35 +g_qlogis -0.4 -0.1 0.17 Correlation: prnt_0 lg_k_1 f_prn_ log_k1 log_k2 -log_k_m1 -0.177 -f_parent_qlogis -0.164 0.385 -log_k1 0.108 -0.017 -0.025 -log_k2 0.036 0.054 0.008 0.096 -g_qlogis -0.068 -0.110 -0.030 -0.269 -0.267 +log_k_m1 -0.167 +f_parent_qlogis -0.145 0.380 +log_k1 0.170 0.005 -0.026 +log_k2 0.083 0.168 0.032 0.365 +g_qlogis -0.088 -0.170 -0.044 -0.472 -0.631 Random effects: Formula: list(parent_0 ~ 1, log_k_m1 ~ 1, f_parent_qlogis ~ 1, log_k1 ~ 1, log_k2 ~ 1, g_qlogis ~ 1) Level: ds Structure: Diagonal parent_0 log_k_m1 f_parent_qlogis log_k1 log_k2 g_qlogis Residual -StdDev: 1 0.1 0.3 0.6 0.5 0.3 3 +StdDev: 1 0.03 0.3 0.3 0.2 0.3 3 Backtransformed parameters with asymmetric confidence intervals: lower est. upper parent_0 1e+02 1e+02 1e+02 -k_m1 4e-03 5e-03 6e-03 +k_m1 4e-03 4e-03 5e-03 f_parent_to_m1 4e-01 5e-01 5e-01 -k1 4e-02 6e-02 7e-02 -k2 1e-02 1e-02 2e-02 +k1 5e-02 6e-02 8e-02 +k2 9e-03 1e-02 1e-02 g 4e-01 5e-01 5e-01 Resulting formation fractions: @@ -77,5 +77,5 @@ parent_sink 0.5 Estimated disappearance times: DT50 DT90 DT50back DT50_k1 DT50_k2 -parent 26 131 39 13 53 -m1 144 479 NA NA NA +parent 25 150 45 11 63 +m1 154 512 NA NA NA diff --git a/tests/testthat/summary_saem_biphasic_s.txt b/tests/testthat/summary_saem_biphasic_s.txt new file mode 100644 index 00000000..8dfae367 --- /dev/null +++ b/tests/testthat/summary_saem_biphasic_s.txt @@ -0,0 +1,77 @@ +saemix version used for fitting: Dummy 0.0 for testing +mkin version used for pre-fitting: Dummy 0.0 for testing +R version used for fitting: Dummy R version for testing +Date of fit: Dummy date for testing +Date of summary: Dummy date for testing + +Equations: +d_parent/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 * + time)) / (g * exp(-k1 * time) + (1 - g) * exp(-k2 * time))) + * parent +d_m1/dt = + f_parent_to_m1 * ((k1 * g * exp(-k1 * time) + k2 * (1 - g) + * exp(-k2 * time)) / (g * exp(-k1 * time) + (1 - g) * + exp(-k2 * time))) * parent - k_m1 * m1 + +Data: +507 observations of 2 variable(s) grouped in 15 datasets + +Model predictions using solution type analytical + +Fitted in test time 0 s using 300, 100 iterations + +Variance model: Constant variance + +Mean of starting values for individual parameters: + parent_0 k_m1 f_parent_to_m1 k1 k2 + 1.0e+02 4.6e-03 4.8e-01 6.4e-02 1.1e-02 + g + 4.6e-01 + +Fixed degradation parameter values: +None + +Results: + +Likelihood computed by importance sampling + AIC BIC logLik + 2702 2711 -1338 + +Optimised parameters: + est. lower upper +parent_0 1.0e+02 1.0e+02 1.0e+02 +k_m1 4.7e-03 3.9e-03 5.6e-03 +f_parent_to_m1 4.8e-01 4.3e-01 5.2e-01 +k1 4.8e-02 3.1e-02 6.5e-02 +k2 1.3e-02 8.7e-03 1.7e-02 +g 5.0e-01 4.1e-01 5.8e-01 + +Correlation: + prnt_0 k_m1 f_p__1 k1 k2 +k_m1 -0.152 +f_parent_to_m1 -0.143 0.366 +k1 0.097 -0.014 -0.021 +k2 0.022 0.083 0.023 0.101 +g -0.084 -0.144 -0.044 -0.303 -0.364 + +Random effects: + est. lower upper +SD.parent_0 1.22 0.316 2.12 +SD.k_m1 0.15 -0.079 0.38 +SD.f_parent_to_m1 0.32 0.191 0.44 +SD.k1 0.66 0.416 0.90 +SD.k2 0.59 0.368 0.80 +SD.g 0.16 -0.373 0.70 + +Variance model: + est. lower upper +a.1 2.9 2.7 3 + +Resulting formation fractions: + ff +parent_m1 0.48 +parent_sink 0.52 + +Estimated disappearance times: + DT50 DT90 DT50back DT50_k1 DT50_k2 +parent 26 127 38 14 54 +m1 146 485 NA NA NA diff --git a/tests/testthat/test_mixed.R b/tests/testthat/test_mixed.R index 6f28d0c3..9c8a84d7 100644 --- a/tests/testthat/test_mixed.R +++ b/tests/testthat/test_mixed.R @@ -1,9 +1,104 @@ context("Nonlinear mixed-effects models") +test_that("Parent fits using saemix are correctly implemented", { + skip_if(!saemix_available) + + expect_error(saem(fits), "Only row objects") + # Some fits were done in the setup script + mmkin_sfo_2 <- update(mmkin_sfo_1, fixed_initials = c(parent = 100)) + expect_error(update(mmkin_sfo_1, models = c("SFOOO")), "Please supply models.*") + + sfo_saem_2 <- saem(mmkin_sfo_1, quiet = TRUE, transformations = "mkin") + sfo_saem_3 <- expect_error(saem(mmkin_sfo_2, quiet = TRUE), "at least two parameters") + s_sfo_s1 <- summary(sfo_saem_1) + s_sfo_s2 <- summary(sfo_saem_2) + + sfo_nlme_1 <- expect_warning(nlme(mmkin_sfo_1), "not converge") + s_sfo_n <- summary(sfo_nlme_1) + + # Compare with input + expect_equal(round(s_sfo_s2$confint_ranef["SD.log_k_parent", "est."], 1), 0.3) + # k_parent is a bit different from input 0.03 here + expect_equal(round(s_sfo_s1$confint_back["k_parent", "est."], 3), 0.035) + expect_equal(round(s_sfo_s2$confint_back["k_parent", "est."], 3), 0.035) + + # But the result is pretty unanimous between methods + expect_equal(round(s_sfo_s1$confint_back["k_parent", "est."], 3), + round(s_sfo_s2$confint_back["k_parent", "est."], 3)) + expect_equal(round(s_sfo_s1$confint_back["k_parent", "est."], 3), + round(s_sfo_n$confint_back["k_parent", "est."], 3)) + + mmkin_fomc_1 <- mmkin("FOMC", ds_fomc, quiet = TRUE, error_model = "tc", cores = n_cores) + fomc_saem_1 <- saem(mmkin_fomc_1, quiet = TRUE) + ci_fomc_s1 <- summary(fomc_saem_1)$confint_back + + fomc_pop <- as.numeric(fomc_pop) + expect_true(all(ci_fomc_s1[, "lower"] < fomc_pop)) + expect_true(all(ci_fomc_s1[, "upper"] > fomc_pop)) + + mmkin_fomc_2 <- update(mmkin_fomc_1, state.ini = 100, fixed_initials = "parent") + fomc_saem_2 <- saem(mmkin_fomc_2, quiet = TRUE, transformations = "mkin") + ci_fomc_s2 <- summary(fomc_saem_2)$confint_back + + expect_true(all(ci_fomc_s2[, "lower"] < fomc_pop[2:3])) + expect_true(all(ci_fomc_s2[, "upper"] > fomc_pop[2:3])) + + s_dfop_s1 <- summary(dfop_saemix_1) + s_dfop_s2 <- summary(dfop_saemix_2) + s_dfop_n <- summary(dfop_nlme_1) + + dfop_pop <- as.numeric(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)) + + dfop_mmkin_means_trans_tested <- mean_degparms(mmkin_dfop_1, test_log_parms = TRUE) + dfop_mmkin_means_trans <- apply(parms(mmkin_dfop_1, transformed = TRUE), 1, mean) + + dfop_mmkin_means_tested <- backtransform_odeparms(dfop_mmkin_means_trans_tested, mmkin_dfop_1$mkinmod) + dfop_mmkin_means <- backtransform_odeparms(dfop_mmkin_means_trans, mmkin_dfop_1$mkinmod) + + # We get < 20% deviations for parent_0 and k1 by averaging the transformed parameters + # If we average only parameters passing the t-test, the deviation for k2 is also < 20% + rel_diff_mmkin <- (dfop_mmkin_means - dfop_pop) / dfop_pop + rel_diff_mmkin_tested <- (dfop_mmkin_means_tested - dfop_pop) / dfop_pop + expect_true(all(rel_diff_mmkin[c("parent_0", "k1")] < 0.20)) + expect_true(all(rel_diff_mmkin_tested[c("parent_0", "k1", "k2")] < 0.20)) + + # We get < 30% deviations with transformations made in mkin + rel_diff_1 <- (s_dfop_s1$confint_back[, "est."] - dfop_pop) / dfop_pop + expect_true(all(rel_diff_1 < 0.5)) + + # We get < 20% deviations with transformations made in saemix + rel_diff_2 <- (s_dfop_s2$confint_back[, "est."] - dfop_pop) / dfop_pop + expect_true(all(rel_diff_2 < 0.2)) + + mmkin_hs_1 <- mmkin("HS", ds_hs, quiet = TRUE, error_model = "const", cores = n_cores) + hs_saem_1 <- saem(mmkin_hs_1, quiet = TRUE) + ci_hs_s1 <- summary(hs_saem_1)$confint_back + + hs_pop <- as.numeric(hs_pop) + # expect_true(all(ci_hs_s1[, "lower"] < hs_pop)) # k1 is overestimated + expect_true(all(ci_hs_s1[, "upper"] > hs_pop)) + + mmkin_hs_2 <- update(mmkin_hs_1, state.ini = 100, fixed_initials = "parent") + hs_saem_2 <- saem(mmkin_hs_2, quiet = TRUE) + ci_hs_s2 <- summary(hs_saem_2)$confint_back + + #expect_true(all(ci_hs_s2[, "lower"] < hs_pop[2:4])) # k1 again overestimated + expect_true(all(ci_hs_s2[, "upper"] > hs_pop[2:4])) + + # HS would likely benefit from implemenation of transformations = "saemix" +}) + test_that("Print methods work", { expect_known_output(print(fits[, 2:3], digits = 2), "print_mmkin_parent.txt") expect_known_output(print(mmkin_biphasic_mixed, digits = 2), "print_mmkin_biphasic_mixed.txt") expect_known_output(print(nlme_biphasic, digits = 1), "print_nlme_biphasic.txt") + + skip_if(!saemix_available) + expect_known_output(print(sfo_saem_1, digits = 1), "print_sfo_saem_1.txt") }) test_that("nlme results are reproducible to some degree", { @@ -18,8 +113,56 @@ test_that("nlme results are reproducible to some degree", { expect_known_output(print(test_summary, digits = 1), "summary_nlme_biphasic_s.txt") + # k1 just fails the first test (lower bound of the ci), so we need to exclude it + dfop_no_k1 <- c("parent_0", "k_m1", "f_parent_to_m1", "k2", "g") + dfop_sfo_pop_no_k1 <- as.numeric(dfop_sfo_pop[dfop_no_k1]) dfop_sfo_pop <- as.numeric(dfop_sfo_pop) + ci_dfop_sfo_n <- summary(nlme_biphasic)$confint_back - # expect_true(all(ci_dfop_sfo_n[, "lower"] < dfop_sfo_pop)) # k2 is overestimated + + expect_true(all(ci_dfop_sfo_n[dfop_no_k1, "lower"] < dfop_sfo_pop_no_k1)) expect_true(all(ci_dfop_sfo_n[, "upper"] > dfop_sfo_pop)) }) + +test_that("saem results are reproducible for biphasic fits", { + + skip_if(!saemix_available) + test_summary <- summary(saem_biphasic_s) + test_summary$saemixversion <- "Dummy 0.0 for testing" + test_summary$mkinversion <- "Dummy 0.0 for testing" + test_summary$Rversion <- "Dummy R version for testing" + test_summary$date.fit <- "Dummy date for testing" + test_summary$date.summary <- "Dummy date for testing" + test_summary$time <- c(elapsed = "test time 0") + + expect_known_output(print(test_summary, digits = 2), "summary_saem_biphasic_s.txt") + + dfop_sfo_pop <- as.numeric(dfop_sfo_pop) + no_k1 <- c(1, 2, 3, 5, 6) + no_k2 <- c(1, 2, 3, 4, 6) + no_k1_k2 <- c(1, 2, 3, 6) + + ci_dfop_sfo_s_s <- summary(saem_biphasic_s)$confint_back + # k1 and k2 are overestimated + expect_true(all(ci_dfop_sfo_s_s[no_k1_k2, "lower"] < dfop_sfo_pop[no_k1_k2])) + expect_true(all(ci_dfop_sfo_s_s[, "upper"] > dfop_sfo_pop)) + + # k1 and k2 are not fitted well + ci_dfop_sfo_s_m <- summary(saem_biphasic_m)$confint_back + expect_true(all(ci_dfop_sfo_s_m[no_k2, "lower"] < dfop_sfo_pop[no_k2])) + expect_true(all(ci_dfop_sfo_s_m[no_k1, "upper"] > dfop_sfo_pop[no_k1])) + + # I tried to only do few iterations in routine tests as this is so slow + # but then deSolve fails at some point (presumably at the switch between + # the two types of iterations) + #saem_biphasic_2 <- saem(mmkin_biphasic, solution_type = "deSolve", + # control = list(nbiter.saemix = c(10, 5), nbiter.burn = 5), quiet = TRUE) + + skip("Fitting with saemix takes around 10 minutes when using deSolve") + saem_biphasic_2 <- saem(mmkin_biphasic, solution_type = "deSolve", quiet = TRUE) + + # As with the analytical solution, k1 and k2 are not fitted well + ci_dfop_sfo_s_d <- summary(saem_biphasic_2)$confint_back + expect_true(all(ci_dfop_sfo_s_d[no_k2, "lower"] < dfop_sfo_pop[no_k2])) + expect_true(all(ci_dfop_sfo_s_d[no_k1, "upper"] > dfop_sfo_pop[no_k1])) +}) diff --git a/tests/testthat/test_nlme.R b/tests/testthat/test_nlme.R index 989914da..a3bc9413 100644 --- a/tests/testthat/test_nlme.R +++ b/tests/testthat/test_nlme.R @@ -1,4 +1,4 @@ -context("Nonlinear mixed-effects models") +context("Nonlinear mixed-effects models with nlme") library(nlme) diff --git a/tests/testthat/test_nlmixr.r b/tests/testthat/test_nlmixr.r new file mode 100644 index 00000000..dcbb50ac --- /dev/null +++ b/tests/testthat/test_nlmixr.r @@ -0,0 +1,99 @@ + + +# dmta_ds <- lapply(1:8, function(i) { +# ds_i <- dimethenamid_2018$ds[[i]]$data +# ds_i[ds_i$name == "DMTAP", "name"] <- "DMTA" +# ds_i$time <- ds_i$time * dimethenamid_2018$f_time_norm[i] +# ds_i +# }) +# names(dmta_ds) <- sapply(dimethenamid_2018$ds, function(ds) ds$title) +# dmta_ds[["Borstel"]] <- rbind(dmta_ds[["Borstel 1"]], dmta_ds[["Borstel 2"]]) +# dmta_ds[["Borstel 1"]] <- NULL +# dmta_ds[["Borstel 2"]] <- NULL +# dmta_ds[["Elliot"]] <- rbind(dmta_ds[["Elliot 1"]], dmta_ds[["Elliot 2"]]) +# dmta_ds[["Elliot 1"]] <- NULL +# dmta_ds[["Elliot 2"]] <- NULL +# dfop_sfo3_plus <- mkinmod( +# DMTA = mkinsub("DFOP", c("M23", "M27", "M31")), +# M23 = mkinsub("SFO"), +# M27 = mkinsub("SFO"), +# M31 = mkinsub("SFO", "M27", sink = FALSE), +# quiet = TRUE +# ) +# f_dmta_mkin_tc <- mmkin( +# list("DFOP-SFO3+" = dfop_sfo3_plus), +# dmta_ds, quiet = TRUE, error_model = "tc") +# +# d_dmta_nlmixr <- nlmixr_data(f_dmta_mkin_tc) +# m_dmta_nlmixr <- function () +# { +# ini({ +# DMTA_0 = 98.7697627680706 +# eta.DMTA_0 ~ 2.35171765917765 +# log_k_M23 = -3.92162409637283 +# eta.log_k_M23 ~ 0.549278519419884 +# log_k_M27 = -4.33774620773911 +# eta.log_k_M27 ~ 0.864474956685295 +# log_k_M31 = -4.24767627688461 +# eta.log_k_M31 ~ 0.750297149164171 +# f_DMTA_tffm0_1_qlogis = -2.092409 +# eta.f_DMTA_tffm0_1_qlogis ~ 0.3 +# f_DMTA_tffm0_2_qlogis = -2.180576 +# eta.f_DMTA_tffm0_2_qlogis ~ 0.3 +# f_DMTA_tffm0_3_qlogis = -2.142672 +# eta.f_DMTA_tffm0_3_qlogis ~ 0.3 +# log_k1 = -2.2341008812259 +# eta.log_k1 ~ 0.902976221565793 +# log_k2 = -3.7762779983269 +# eta.log_k2 ~ 1.57684519529298 +# g_qlogis = 0.450175725479389 +# eta.g_qlogis ~ 3.0851335687675 +# sigma_low_DMTA = 0.697933852349996 +# rsd_high_DMTA = 0.0257724286053519 +# sigma_low_M23 = 0.697933852349996 +# rsd_high_M23 = 0.0257724286053519 +# sigma_low_M27 = 0.697933852349996 +# rsd_high_M27 = 0.0257724286053519 +# sigma_low_M31 = 0.697933852349996 +# rsd_high_M31 = 0.0257724286053519 +# }) +# model({ +# DMTA_0_model = DMTA_0 + eta.DMTA_0 +# DMTA(0) = DMTA_0_model +# k_M23 = exp(log_k_M23 + eta.log_k_M23) +# k_M27 = exp(log_k_M27 + eta.log_k_M27) +# k_M31 = exp(log_k_M31 + eta.log_k_M31) +# k1 = exp(log_k1 + eta.log_k1) +# k2 = exp(log_k2 + eta.log_k2) +# g = expit(g_qlogis + eta.g_qlogis) +# f_DMTA_tffm0_1 = expit(f_DMTA_tffm0_1_qlogis + eta.f_DMTA_tffm0_1_qlogis) +# f_DMTA_tffm0_2 = expit(f_DMTA_tffm0_2_qlogis + eta.f_DMTA_tffm0_2_qlogis) +# f_DMTA_tffm0_3 = expit(f_DMTA_tffm0_3_qlogis + eta.f_DMTA_tffm0_3_qlogis) +# f_DMTA_to_M23 = f_DMTA_tffm0_1 +# f_DMTA_to_M27 = (1 - f_DMTA_tffm0_1) * f_DMTA_tffm0_2 +# f_DMTA_to_M31 = (1 - f_DMTA_tffm0_1) * (1 - f_DMTA_tffm0_2) * f_DMTA_tffm0_3 +# d/dt(DMTA) = -((k1 * g * exp(-k1 * time) + k2 * (1 - +# g) * exp(-k2 * time))/(g * exp(-k1 * time) + (1 - +# g) * exp(-k2 * time))) * DMTA +# d/dt(M23) = +f_DMTA_to_M23 * ((k1 * g * exp(-k1 * time) + +# k2 * (1 - g) * exp(-k2 * time))/(g * exp(-k1 * time) + +# (1 - g) * exp(-k2 * time))) * DMTA - k_M23 * M23 +# d/dt(M27) = +f_DMTA_to_M27 * ((k1 * g * exp(-k1 * time) + +# k2 * (1 - g) * exp(-k2 * time))/(g * exp(-k1 * time) + +# (1 - g) * exp(-k2 * time))) * DMTA - k_M27 * M27 + +# k_M31 * M31 +# d/dt(M31) = +f_DMTA_to_M31 * ((k1 * g * exp(-k1 * time) + +# k2 * (1 - g) * exp(-k2 * time))/(g * exp(-k1 * time) + +# (1 - g) * exp(-k2 * time))) * DMTA - k_M31 * M31 +# DMTA ~ add(sigma_low_DMTA) + prop(rsd_high_DMTA) +# M23 ~ add(sigma_low_M23) + prop(rsd_high_M23) +# M27 ~ add(sigma_low_M27) + prop(rsd_high_M27) +# M31 ~ add(sigma_low_M31) + prop(rsd_high_M31) +# }) +# } +# m_dmta_nlmixr_mkin <- nlmixr_model(f_dmta_mkin_tc, test_log_parms = TRUE) +# f_dmta_nlmixr_saem <- nlmixr(f_dmta_mkin_tc, est = "saem", control = saemControl(print = 250)) +# f_dmta_nlmixr_focei <- nlmixr(f_dmta_mkin_tc, est = "focei", control = foceiControl(print = 250)) +# plot(f_dmta_nlmixr_saem) +# plot(f_dmta_nlmixr_focei) +# diff --git a/tests/testthat/test_plot.R b/tests/testthat/test_plot.R index 28c537bb..e08fe277 100644 --- a/tests/testthat/test_plot.R +++ b/tests/testthat/test_plot.R @@ -33,6 +33,11 @@ test_that("Plotting mkinfit, mmkin and mixed model objects is reproducible", { plot_biphasic_mmkin <- function() plot(f_uba_dfop_sfo_mixed) vdiffr::expect_doppelganger("mixed model fit for mmkin object", plot_biphasic_mmkin) + if (saemix_available) { + plot_biphasic_saem_s <- function() plot(f_uba_dfop_sfo_saem) + vdiffr::expect_doppelganger("mixed model fit for saem object with saemix transformations", plot_biphasic_saem_s) + } + skip_on_travis() plot_biphasic_nlme <- function() plot(dfop_nlme_1) @@ -41,6 +46,12 @@ test_that("Plotting mkinfit, mmkin and mixed model objects is reproducible", { #plot_biphasic_mmkin <- function() plot(mixed(mmkin_biphasic)) # Biphasic fits with lots of data and fits have lots of potential for differences plot_biphasic_nlme <- function() plot(nlme_biphasic) + if (saemix_available) { + #plot_biphasic_saem_s <- function() plot(saem_biphasic_s) + plot_biphasic_saem_m <- function() plot(saem_biphasic_m) + + vdiffr::expect_doppelganger("mixed model fit for saem object with mkin transformations", plot_biphasic_saem_m) + } # different results when working with eigenvalues plot_errmod_fit_D_obs_eigen <- function() plot_err(fit_D_obs_eigen, sep_obs = FALSE) |
