From 43af185533b11327368148a44e9295ea3eb3abb1 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Thu, 23 Nov 2023 06:17:28 +0100 Subject: Bump version, fix test from last commit, check and test --- log/test.log | 161 +++++++++++++++++------------------------------------------ 1 file changed, 47 insertions(+), 114 deletions(-) (limited to 'log/test.log') diff --git a/log/test.log b/log/test.log index 6d5bc470..a6ac83ed 100644 --- a/log/test.log +++ b/log/test.log @@ -1,117 +1,50 @@ ℹ Testing mkin -✔ | F W S OK | Context -✔ | 5 | AIC calculation -✔ | 5 | Analytical solutions for coupled models [1.5s] -✔ | 5 | Calculation of Akaike weights -✔ | 3 | Export dataset for reading into CAKE -✔ | 6 | Use of precompiled symbols in mkinpredict [3.1s] -✔ | 12 | Confidence intervals and p-values [0.4s] -✔ | 1 12 | Dimethenamid data from 2018 [13.2s] -──────────────────────────────────────────────────────────────────────────────── -Skip ('test_dmta.R:88:3'): Different backends get consistent results for SFO-SFO3+, dimethenamid data -Reason: Fitting this ODE model with saemix takes about 5 minutes on my new system -──────────────────────────────────────────────────────────────────────────────── -✔ | 14 | Error model fitting [2.5s] -✔ | 5 | Time step normalisation -✔ | 4 | Calculation of FOCUS chi2 error levels [0.3s] -✔ | 14 | Results for FOCUS D established in expertise for UBA (Ranke 2014) [0.4s] -✔ | 4 | Test fitting the decline of metabolites from their maximum [0.2s] -✔ | 1 | Fitting the logistic model [0.1s] -✔ | 10 | Batch fitting and diagnosing hierarchical kinetic models [19.0s] -✖ | 1 2 15 | Nonlinear mixed-effects models [149.2s] -──────────────────────────────────────────────────────────────────────────────── -Failure ('test_mixed.R:21:3'): Print methods work -Results have changed from known value recorded in 'print_dfop_saem_1.txt'. - -old[13:23] vs new[13:23] - "" - "Fitted parameters:" - " estimate lower upper" -- "parent_0 99.92 98.77 101.06" -+ "parent_0 99.96 98.82 101.11" -- "log_k1 -2.72 -2.95 -2.50" -+ "log_k1 -2.71 -2.94 -2.49" -- "log_k2 -4.14 -4.27 -4.01" -+ "log_k2 -4.14 -4.26 -4.01" -- "g_qlogis -0.35 -0.53 -0.16" -+ "g_qlogis -0.36 -0.54 -0.17" -- "a.1 0.92 0.68 1.16" -+ "a.1 0.93 0.69 1.17" - "b.1 0.05 0.04 0.06" - "SD.log_k1 0.37 0.23 0.51" -and 1 more ... - -Skip ('test_mixed.R:80:3'): saemix results are reproducible for biphasic fits -Reason: Fitting with saemix takes around 10 minutes when using deSolve - -Skip ('test_mixed.R:133:3'): SFO-SFO saemix specific analytical solution work -Reason: This is seldom used, so save some time -──────────────────────────────────────────────────────────────────────────────── -✔ | 3 | Test dataset classes mkinds and mkindsg -✔ | 10 | Special cases of mkinfit calls [0.3s] -✔ | 3 | mkinfit features [0.5s] -✔ | 8 | mkinmod model generation and printing -✔ | 3 | Model predictions with mkinpredict [0.1s] -✖ | 3 9 | Multistart method for saem.mmkin models [23.2s] -──────────────────────────────────────────────────────────────────────────────── -Failure ('test_multistart.R:44:3'): multistart works for saem.mmkin models -Snapshot of `testcase` to 'multistart/mixed-model-fit-for-saem-object-with-mkin-transformations.svg' has changed -Run `testthat::snapshot_review('multistart/')` to review changes -Backtrace: - 1. vdiffr::expect_doppelganger(...) - at test_multistart.R:44:2 - 3. testthat::expect_snapshot_file(...) - -Failure ('test_multistart.R:55:3'): multistart works for saem.mmkin models -Snapshot of `testcase` to 'multistart/llhist-for-dfop-sfo-fit.svg' has changed -Run `testthat::snapshot_review('multistart/')` to review changes -Backtrace: - 1. vdiffr::expect_doppelganger("llhist for dfop sfo fit", llhist_dfop_sfo) - at test_multistart.R:55:2 - 3. testthat::expect_snapshot_file(...) - -Failure ('test_multistart.R:56:3'): multistart works for saem.mmkin models -Snapshot of `testcase` to 'multistart/parplot-for-dfop-sfo-fit.svg' has changed -Run `testthat::snapshot_review('multistart/')` to review changes -Backtrace: - 1. vdiffr::expect_doppelganger("parplot for dfop sfo fit", parplot_dfop_sfo) - at test_multistart.R:56:2 - 3. testthat::expect_snapshot_file(...) -──────────────────────────────────────────────────────────────────────────────── -✔ | 16 | Evaluations according to 2015 NAFTA guidance [1.6s] -✔ | 9 | Nonlinear mixed-effects models with nlme [3.8s] -✖ | 1 14 | Plotting [4.7s] -──────────────────────────────────────────────────────────────────────────────── -Failure ('test_plot.R:55:3'): Plotting mkinfit, mmkin and mixed model objects is reproducible -Snapshot of `testcase` to 'plot/mixed-model-fit-for-nlme-object.svg' has changed -Run `testthat::snapshot_review('plot/')` to review changes -Backtrace: - 1. vdiffr::expect_doppelganger(...) - at test_plot.R:55:2 - 3. testthat::expect_snapshot_file(...) -──────────────────────────────────────────────────────────────────────────────── -✔ | 4 | Residuals extracted from mkinfit models -✔ | 1 36 | saemix parent models [31.4s] -──────────────────────────────────────────────────────────────────────────────── -Skip ('test_saemix_parent.R:143:3'): We can also use mkin solution methods for saem -Reason: This still takes almost 2.5 minutes although we do not solve ODEs -──────────────────────────────────────────────────────────────────────────────── -✔ | 2 | Complex test case from Schaefer et al. (2007) Piacenza paper [0.5s] -✔ | 11 | Processing of residue series -✔ | 10 | Fitting the SFORB model [1.7s] -✔ | 1 | Summaries of old mkinfit objects -✔ | 5 | Summary -✔ | 4 | Results for synthetic data established in expertise for UBA (Ranke 2014) [0.8s] -✔ | 9 | Hypothesis tests [2.9s] -✔ | 4 | Calculation of maximum time weighted average concentrations (TWAs) [0.7s] +✔ | F W S OK | Context +✔ | 5 | AIC calculation +✔ | 5 | Analytical solutions for coupled models [1.5s] +✔ | 5 | Calculation of Akaike weights +✔ | 3 | Export dataset for reading into CAKE +✔ | 6 | Use of precompiled symbols in mkinpredict [3.3s] +✔ | 12 | Confidence intervals and p-values +✔ | 1 12 | Dimethenamid data from 2018 [13.1s] +✔ | 14 | Error model fitting [2.5s] +✔ | 5 | Time step normalisation +✔ | 4 | Calculation of FOCUS chi2 error levels +✔ | 14 | Results for FOCUS D established in expertise for UBA (Ranke 2014) +✔ | 4 | Test fitting the decline of metabolites from their maximum +✔ | 1 | Fitting the logistic model +✔ | 10 | Batch fitting and diagnosing hierarchical kinetic models [20.4s] +✔ | 2 16 | Nonlinear mixed-effects models [149.9s] +✔ | 3 | Test dataset classes mkinds and mkindsg +✔ | 10 | Special cases of mkinfit calls +✔ | 3 | mkinfit features +✔ | 8 | mkinmod model generation and printing +✔ | 3 | Model predictions with mkinpredict +✔ | 12 | Multistart method for saem.mmkin models [23.0s] +✔ | 16 | Evaluations according to 2015 NAFTA guidance [1.5s] +✔ | 9 | Nonlinear mixed-effects models with nlme [3.6s] +✔ | 15 | Plotting [4.8s] +✔ | 4 | Residuals extracted from mkinfit models +✔ | 1 38 | saemix parent models [35.2s] +✔ | 2 | Complex test case from Schaefer et al. (2007) Piacenza paper +✔ | 11 | Processing of residue series +✔ | 10 | Fitting the SFORB model [1.6s] +✔ | 1 | Summaries of old mkinfit objects +✔ | 5 | Summary +✔ | 4 | Results for synthetic data established in expertise for UBA (Ranke 2014) +✔ | 9 | Hypothesis tests [2.8s] +✔ | 4 | Calculation of maximum time weighted average concentrations (TWAs) ══ Results ═════════════════════════════════════════════════════════════════════ -Duration: 262.6 s - -── Skipped tests ────────────────────────────────────────────────────────────── -• Fitting this ODE model with saemix takes about 5 minutes on my new system (1) -• Fitting with saemix takes around 10 minutes when using deSolve (1) -• This is seldom used, so save some time (1) -• This still takes almost 2.5 minutes although we do not solve ODEs (1) - -[ FAIL 5 | WARN 0 | SKIP 4 | PASS 276 ] +Duration: 268.2 s + +── Skipped tests (4) ─────────────────────────────────────────────────────────── +• Fitting this ODE model with saemix takes about 5 minutes on my new system + (1): 'test_dmta.R:88:3' +• Fitting with saemix takes around 10 minutes when using deSolve (1): + 'test_mixed.R:80:3' +• This is seldom used, so save some time (1): 'test_mixed.R:133:3' +• This still takes almost 2.5 minutes although we do not solve ODEs (1): + 'test_saemix_parent.R:143:3' + +[ FAIL 0 | WARN 0 | SKIP 4 | PASS 283 ] -- cgit v1.2.1 From b07f9fcb7468ac1b5fab0924328fba36ae943be5 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Sun, 26 Nov 2023 20:38:30 +0100 Subject: Deal with 'saem' fits failing when updating an 'mhmkin' object --- log/test.log | 24 ++++++++++++------------ 1 file changed, 12 insertions(+), 12 deletions(-) (limited to 'log/test.log') diff --git a/log/test.log b/log/test.log index a6ac83ed..9dc63675 100644 --- a/log/test.log +++ b/log/test.log @@ -4,39 +4,39 @@ ✔ | 5 | Analytical solutions for coupled models [1.5s] ✔ | 5 | Calculation of Akaike weights ✔ | 3 | Export dataset for reading into CAKE -✔ | 6 | Use of precompiled symbols in mkinpredict [3.3s] +✔ | 6 | Use of precompiled symbols in mkinpredict [3.2s] ✔ | 12 | Confidence intervals and p-values -✔ | 1 12 | Dimethenamid data from 2018 [13.1s] +✔ | 1 12 | Dimethenamid data from 2018 [13.8s] ✔ | 14 | Error model fitting [2.5s] ✔ | 5 | Time step normalisation ✔ | 4 | Calculation of FOCUS chi2 error levels ✔ | 14 | Results for FOCUS D established in expertise for UBA (Ranke 2014) ✔ | 4 | Test fitting the decline of metabolites from their maximum ✔ | 1 | Fitting the logistic model -✔ | 10 | Batch fitting and diagnosing hierarchical kinetic models [20.4s] -✔ | 2 16 | Nonlinear mixed-effects models [149.9s] +✔ | 10 | Batch fitting and diagnosing hierarchical kinetic models [19.8s] +✔ | 2 16 | Nonlinear mixed-effects models [149.6s] ✔ | 3 | Test dataset classes mkinds and mkindsg ✔ | 10 | Special cases of mkinfit calls ✔ | 3 | mkinfit features ✔ | 8 | mkinmod model generation and printing ✔ | 3 | Model predictions with mkinpredict -✔ | 12 | Multistart method for saem.mmkin models [23.0s] -✔ | 16 | Evaluations according to 2015 NAFTA guidance [1.5s] -✔ | 9 | Nonlinear mixed-effects models with nlme [3.6s] -✔ | 15 | Plotting [4.8s] +✔ | 12 | Multistart method for saem.mmkin models [23.6s] +✔ | 16 | Evaluations according to 2015 NAFTA guidance [1.6s] +✔ | 9 | Nonlinear mixed-effects models with nlme [4.0s] +✔ | 15 | Plotting [4.7s] ✔ | 4 | Residuals extracted from mkinfit models -✔ | 1 38 | saemix parent models [35.2s] +✔ | 1 38 | saemix parent models [36.4s] ✔ | 2 | Complex test case from Schaefer et al. (2007) Piacenza paper ✔ | 11 | Processing of residue series -✔ | 10 | Fitting the SFORB model [1.6s] +✔ | 10 | Fitting the SFORB model [1.8s] ✔ | 1 | Summaries of old mkinfit objects ✔ | 5 | Summary ✔ | 4 | Results for synthetic data established in expertise for UBA (Ranke 2014) -✔ | 9 | Hypothesis tests [2.8s] +✔ | 9 | Hypothesis tests [3.1s] ✔ | 4 | Calculation of maximum time weighted average concentrations (TWAs) ══ Results ═════════════════════════════════════════════════════════════════════ -Duration: 268.2 s +Duration: 270.7 s ── Skipped tests (4) ─────────────────────────────────────────────────────────── • Fitting this ODE model with saemix takes about 5 minutes on my new system -- cgit v1.2.1 From e18c8da322ddb11105b7fdf93e9dd538673fb946 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Sat, 27 Apr 2024 19:22:10 +0200 Subject: Fix bug in R/create_deg_func.R Closes #13 --- log/test.log | 29 +++++++++++++++-------------- 1 file changed, 15 insertions(+), 14 deletions(-) (limited to 'log/test.log') diff --git a/log/test.log b/log/test.log index 9dc63675..e92a7409 100644 --- a/log/test.log +++ b/log/test.log @@ -4,39 +4,40 @@ ✔ | 5 | Analytical solutions for coupled models [1.5s] ✔ | 5 | Calculation of Akaike weights ✔ | 3 | Export dataset for reading into CAKE -✔ | 6 | Use of precompiled symbols in mkinpredict [3.2s] +✔ | 6 | Use of precompiled symbols in mkinpredict [3.1s] ✔ | 12 | Confidence intervals and p-values -✔ | 1 12 | Dimethenamid data from 2018 [13.8s] -✔ | 14 | Error model fitting [2.5s] +✔ | 1 12 | Dimethenamid data from 2018 [13.0s] +✔ | 14 | Error model fitting [2.6s] ✔ | 5 | Time step normalisation ✔ | 4 | Calculation of FOCUS chi2 error levels ✔ | 14 | Results for FOCUS D established in expertise for UBA (Ranke 2014) ✔ | 4 | Test fitting the decline of metabolites from their maximum ✔ | 1 | Fitting the logistic model -✔ | 10 | Batch fitting and diagnosing hierarchical kinetic models [19.8s] -✔ | 2 16 | Nonlinear mixed-effects models [149.6s] +✔ | 10 | Batch fitting and diagnosing hierarchical kinetic models [19.7s] +✔ | 2 16 | Nonlinear mixed-effects models [144.7s] ✔ | 3 | Test dataset classes mkinds and mkindsg ✔ | 10 | Special cases of mkinfit calls ✔ | 3 | mkinfit features ✔ | 8 | mkinmod model generation and printing ✔ | 3 | Model predictions with mkinpredict -✔ | 12 | Multistart method for saem.mmkin models [23.6s] -✔ | 16 | Evaluations according to 2015 NAFTA guidance [1.6s] -✔ | 9 | Nonlinear mixed-effects models with nlme [4.0s] -✔ | 15 | Plotting [4.7s] +✔ | 12 | Multistart method for saem.mmkin models [23.3s] +✔ | 16 | Evaluations according to 2015 NAFTA guidance [1.5s] +✔ | 9 | Nonlinear mixed-effects models with nlme [3.7s] +✔ | 15 | Plotting [4.5s] ✔ | 4 | Residuals extracted from mkinfit models -✔ | 1 38 | saemix parent models [36.4s] +✔ | 1 38 | saemix parent models [34.8s] ✔ | 2 | Complex test case from Schaefer et al. (2007) Piacenza paper ✔ | 11 | Processing of residue series -✔ | 10 | Fitting the SFORB model [1.8s] +✔ | 10 | Fitting the SFORB model [1.7s] ✔ | 1 | Summaries of old mkinfit objects ✔ | 5 | Summary ✔ | 4 | Results for synthetic data established in expertise for UBA (Ranke 2014) -✔ | 9 | Hypothesis tests [3.1s] +✔ | 9 | Hypothesis tests [2.9s] ✔ | 4 | Calculation of maximum time weighted average concentrations (TWAs) +✔ | 2 | water-sediment ══ Results ═════════════════════════════════════════════════════════════════════ -Duration: 270.7 s +Duration: 262.3 s ── Skipped tests (4) ─────────────────────────────────────────────────────────── • Fitting this ODE model with saemix takes about 5 minutes on my new system @@ -47,4 +48,4 @@ Duration: 270.7 s • This still takes almost 2.5 minutes although we do not solve ODEs (1): 'test_saemix_parent.R:143:3' -[ FAIL 0 | WARN 0 | SKIP 4 | PASS 283 ] +[ FAIL 0 | WARN 0 | SKIP 4 | PASS 285 ] -- cgit v1.2.1 From 272b3863d1463dfaf62c6e06ea22610c0540237f Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Sun, 28 Jul 2024 09:25:18 +0200 Subject: Make sure test work on my desktop, skip more tests on travis --- log/test.log | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) (limited to 'log/test.log') diff --git a/log/test.log b/log/test.log index e92a7409..0bd7338d 100644 --- a/log/test.log +++ b/log/test.log @@ -6,26 +6,26 @@ ✔ | 3 | Export dataset for reading into CAKE ✔ | 6 | Use of precompiled symbols in mkinpredict [3.1s] ✔ | 12 | Confidence intervals and p-values -✔ | 1 12 | Dimethenamid data from 2018 [13.0s] +✔ | 1 12 | Dimethenamid data from 2018 [13.3s] ✔ | 14 | Error model fitting [2.6s] ✔ | 5 | Time step normalisation ✔ | 4 | Calculation of FOCUS chi2 error levels ✔ | 14 | Results for FOCUS D established in expertise for UBA (Ranke 2014) ✔ | 4 | Test fitting the decline of metabolites from their maximum ✔ | 1 | Fitting the logistic model -✔ | 10 | Batch fitting and diagnosing hierarchical kinetic models [19.7s] -✔ | 2 16 | Nonlinear mixed-effects models [144.7s] +✔ | 10 | Batch fitting and diagnosing hierarchical kinetic models [19.1s] +✔ | 2 16 | Nonlinear mixed-effects models [148.9s] ✔ | 3 | Test dataset classes mkinds and mkindsg ✔ | 10 | Special cases of mkinfit calls ✔ | 3 | mkinfit features ✔ | 8 | mkinmod model generation and printing ✔ | 3 | Model predictions with mkinpredict -✔ | 12 | Multistart method for saem.mmkin models [23.3s] +✔ | 12 | Multistart method for saem.mmkin models [23.1s] ✔ | 16 | Evaluations according to 2015 NAFTA guidance [1.5s] -✔ | 9 | Nonlinear mixed-effects models with nlme [3.7s] -✔ | 15 | Plotting [4.5s] +✔ | 9 | Nonlinear mixed-effects models with nlme [3.8s] +✔ | 15 | Plotting [4.6s] ✔ | 4 | Residuals extracted from mkinfit models -✔ | 1 38 | saemix parent models [34.8s] +✔ | 1 38 | saemix parent models [35.5s] ✔ | 2 | Complex test case from Schaefer et al. (2007) Piacenza paper ✔ | 11 | Processing of residue series ✔ | 10 | Fitting the SFORB model [1.7s] @@ -37,7 +37,7 @@ ✔ | 2 | water-sediment ══ Results ═════════════════════════════════════════════════════════════════════ -Duration: 262.3 s +Duration: 267.0 s ── Skipped tests (4) ─────────────────────────────────────────────────────────── • Fitting this ODE model with saemix takes about 5 minutes on my new system -- cgit v1.2.1 From 6476f5f49b373cd4cf05f2e73389df83e437d597 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Thu, 13 Feb 2025 16:30:31 +0100 Subject: Axis legend formatting, update vignettes --- log/test.log | 22 +++++++++++----------- 1 file changed, 11 insertions(+), 11 deletions(-) (limited to 'log/test.log') diff --git a/log/test.log b/log/test.log index 0bd7338d..746f0458 100644 --- a/log/test.log +++ b/log/test.log @@ -1,31 +1,31 @@ ℹ Testing mkin ✔ | F W S OK | Context ✔ | 5 | AIC calculation -✔ | 5 | Analytical solutions for coupled models [1.5s] +✔ | 5 | Analytical solutions for coupled models [1.6s] ✔ | 5 | Calculation of Akaike weights ✔ | 3 | Export dataset for reading into CAKE -✔ | 6 | Use of precompiled symbols in mkinpredict [3.1s] +✔ | 6 | Use of precompiled symbols in mkinpredict [3.3s] ✔ | 12 | Confidence intervals and p-values ✔ | 1 12 | Dimethenamid data from 2018 [13.3s] -✔ | 14 | Error model fitting [2.6s] +✔ | 14 | Error model fitting [2.7s] ✔ | 5 | Time step normalisation ✔ | 4 | Calculation of FOCUS chi2 error levels ✔ | 14 | Results for FOCUS D established in expertise for UBA (Ranke 2014) ✔ | 4 | Test fitting the decline of metabolites from their maximum ✔ | 1 | Fitting the logistic model -✔ | 10 | Batch fitting and diagnosing hierarchical kinetic models [19.1s] -✔ | 2 16 | Nonlinear mixed-effects models [148.9s] +✔ | 10 | Batch fitting and diagnosing hierarchical kinetic models [19.7s] +✔ | 2 16 | Nonlinear mixed-effects models [148.2s] ✔ | 3 | Test dataset classes mkinds and mkindsg ✔ | 10 | Special cases of mkinfit calls ✔ | 3 | mkinfit features ✔ | 8 | mkinmod model generation and printing ✔ | 3 | Model predictions with mkinpredict -✔ | 12 | Multistart method for saem.mmkin models [23.1s] -✔ | 16 | Evaluations according to 2015 NAFTA guidance [1.5s] -✔ | 9 | Nonlinear mixed-effects models with nlme [3.8s] +✔ | 12 | Multistart method for saem.mmkin models [23.7s] +✔ | 16 | Evaluations according to 2015 NAFTA guidance [1.6s] +✔ | 9 | Nonlinear mixed-effects models with nlme [4.2s] ✔ | 15 | Plotting [4.6s] ✔ | 4 | Residuals extracted from mkinfit models -✔ | 1 38 | saemix parent models [35.5s] +✔ | 1 38 | saemix parent models [35.9s] ✔ | 2 | Complex test case from Schaefer et al. (2007) Piacenza paper ✔ | 11 | Processing of residue series ✔ | 10 | Fitting the SFORB model [1.7s] @@ -37,14 +37,14 @@ ✔ | 2 | water-sediment ══ Results ═════════════════════════════════════════════════════════════════════ -Duration: 267.0 s +Duration: 268.8 s ── Skipped tests (4) ─────────────────────────────────────────────────────────── • Fitting this ODE model with saemix takes about 5 minutes on my new system (1): 'test_dmta.R:88:3' • Fitting with saemix takes around 10 minutes when using deSolve (1): 'test_mixed.R:80:3' -• This is seldom used, so save some time (1): 'test_mixed.R:133:3' +• This is seldom used, so save some time (1): 'test_mixed.R:135:3' • This still takes almost 2.5 minutes although we do not solve ODEs (1): 'test_saemix_parent.R:143:3' -- cgit v1.2.1