From 7035cde3a53781721fe15a8893fdf328c789bdd2 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Mon, 7 Mar 2022 12:03:40 +0100 Subject: Remove nlmixr interface for release of mkin 1.1.0 I am postponing my attempts to get the nlmixr interface to CRAN, given some problems with nlmixr using R-devel under Windows, see https://github.com/nlmixrdevelopment/nlmixr/issues/596 and https://github.com/r-hub/rhub/issues/512, which is fixed by the removal of nlmixr from the testsuite. For the tests to be more platform independent, the biphasic mixed effects models test dataset was defined in a way that fitting should be more robust (less ill-defined). --- tests/testthat/summary_nlmixr_saem_biphasic.txt | 97 ------------------------- 1 file changed, 97 deletions(-) delete mode 100644 tests/testthat/summary_nlmixr_saem_biphasic.txt (limited to 'tests/testthat/summary_nlmixr_saem_biphasic.txt') diff --git a/tests/testthat/summary_nlmixr_saem_biphasic.txt b/tests/testthat/summary_nlmixr_saem_biphasic.txt deleted file mode 100644 index 144cbac7..00000000 --- a/tests/testthat/summary_nlmixr_saem_biphasic.txt +++ /dev/null @@ -1,97 +0,0 @@ -nlmixr version used for fitting: 2.0.6 -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 - -Degradation model predictions using RxODE - -Fitted in test time 0 s - -Variance model: Two-component variance function - -Mean of starting values for individual parameters: - parent_0 log_k_m1 f_parent_qlogis log_k1 log_k2 - 100.65 -5.38 -0.09 -2.74 -4.53 - g_qlogis - -0.14 - -Mean of starting values for error model parameters: -sigma_low_parent rsd_high_parent sigma_low_m1 rsd_high_m1 - 0.79 0.05 0.79 0.05 - -Fixed degradation parameter values: -None - -Results: - -Likelihood calculated by gauss3_1.6 - AIC BIC logLik - 2400 2468 -1184 - -Optimised parameters: - est. lower upper -parent_0 100.35 99.0 101.7 -log_k_m1 -5.35 -5.5 -5.2 -f_parent_qlogis -0.09 -0.3 0.1 -log_k1 -2.76 -3.0 -2.6 -log_k2 -4.49 -4.6 -4.4 -g_qlogis -0.17 -0.4 0.1 - -Correlation: - pr_0 l__1 f_p_ lg_1 lg_2 -log_k_m1 -0.4 -f_parent_qlogis -0.4 0.4 -log_k1 0.2 -0.2 -0.1 -log_k2 0.0 0.1 0.0 0.3 -g_qlogis 0.1 -0.1 0.0 -0.4 -0.5 - -Random effects (omega): - eta.parent_0 eta.log_k_m1 eta.f_parent_qlogis eta.log_k1 -eta.parent_0 0.08 0.00 0.0 0.00 -eta.log_k_m1 0.00 0.02 0.0 0.00 -eta.f_parent_qlogis 0.00 0.00 0.1 0.00 -eta.log_k1 0.00 0.00 0.0 0.09 -eta.log_k2 0.00 0.00 0.0 0.00 -eta.g_qlogis 0.00 0.00 0.0 0.00 - eta.log_k2 eta.g_qlogis -eta.parent_0 0.00 0.0 -eta.log_k_m1 0.00 0.0 -eta.f_parent_qlogis 0.00 0.0 -eta.log_k1 0.00 0.0 -eta.log_k2 0.03 0.0 -eta.g_qlogis 0.00 0.1 - -Variance model: -sigma_low_parent rsd_high_parent sigma_low_m1 rsd_high_m1 - 1.04 0.05 0.82 0.06 - -Backtransformed parameters: - est. lower upper -parent_0 1e+02 1e+02 1e+02 -k_m1 5e-03 4e-03 6e-03 -f_parent_to_m1 5e-01 4e-01 5e-01 -k1 6e-02 5e-02 8e-02 -k2 1e-02 1e-02 1e-02 -g 5e-01 4e-01 5e-01 - -Resulting formation fractions: - ff -parent_m1 0.5 -parent_sink 0.5 - -Estimated disappearance times: - DT50 DT90 DT50back DT50_k1 DT50_k2 -parent 25 150 45 11 61 -m1 145 483 NA NA NA -- cgit v1.2.1