From f35e0b3d3b9f41bee2f5cc357afcb69e3aadad15 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Fri, 8 Jul 2022 17:39:44 +0200 Subject: Store DLL info in mkinmod objects for performance Thanks to Tomas Kalibera for his analysis of the problem on the r-package-devel mailing list and for the suggestion on how to fix it. See the current benchmark vignette for the new data on mkin 1.1.1 with R 4.2.1, with unprecedented performance. --- test.log | 34 +++++++++++++++++----------------- 1 file changed, 17 insertions(+), 17 deletions(-) (limited to 'test.log') diff --git a/test.log b/test.log index 44a93ac1..4e634f93 100644 --- a/test.log +++ b/test.log @@ -3,46 +3,46 @@ Loading required package: parallel ℹ Testing mkin ✔ | F W S OK | Context ✔ | 5 | AIC calculation -✔ | 5 | Analytical solutions for coupled models [3.5s] +✔ | 5 | Analytical solutions for coupled models [2.9s] ✔ | 5 | Calculation of Akaike weights ✔ | 3 | Export dataset for reading into CAKE -✔ | 12 | Confidence intervals and p-values [1.0s] -✔ | 1 12 | Dimethenamid data from 2018 [31.6s] +✔ | 12 | Confidence intervals and p-values [0.9s] +✔ | 1 12 | Dimethenamid data from 2018 [32.4s] ──────────────────────────────────────────────────────────────────────────────── Skip (test_dmta.R:98:3): Different backends get consistent results for SFO-SFO3+, dimethenamid data Reason: Fitting this ODE model with saemix takes about 15 minutes on my system ──────────────────────────────────────────────────────────────────────────────── -✔ | 14 | Error model fitting [4.7s] +✔ | 14 | Error model fitting [6.6s] ✔ | 5 | Time step normalisation ✔ | 4 | Calculation of FOCUS chi2 error levels [0.5s] -✔ | 14 | Results for FOCUS D established in expertise for UBA (Ranke 2014) [0.8s] +✔ | 14 | Results for FOCUS D established in expertise for UBA (Ranke 2014) [0.7s] ✔ | 4 | Test fitting the decline of metabolites from their maximum [0.3s] ✔ | 1 | Fitting the logistic model [0.2s] -✔ | 1 12 | Nonlinear mixed-effects models [0.3s] +✔ | 1 12 | Nonlinear mixed-effects models [0.2s] ──────────────────────────────────────────────────────────────────────────────── Skip (test_mixed.R:68:3): saemix results are reproducible for biphasic fits Reason: Fitting with saemix takes around 10 minutes when using deSolve ──────────────────────────────────────────────────────────────────────────────── ✔ | 3 | Test dataset classes mkinds and mkindsg -✔ | 10 | Special cases of mkinfit calls [0.4s] +✔ | 10 | Special cases of mkinfit calls [0.3s] ✔ | 3 | mkinfit features [0.6s] ✔ | 8 | mkinmod model generation and printing [0.2s] ✔ | 3 | Model predictions with mkinpredict [0.3s] -✔ | 16 | Evaluations according to 2015 NAFTA guidance [1.4s] -✔ | 9 | Nonlinear mixed-effects models with nlme [8.0s] -✔ | 16 | Plotting [10.1s] +✔ | 16 | Evaluations according to 2015 NAFTA guidance [1.3s] +✔ | 9 | Nonlinear mixed-effects models with nlme [7.9s] +✔ | 16 | Plotting [10.2s] ✔ | 4 | Residuals extracted from mkinfit models -✔ | 25 | saemix parent models [170.4s] -✔ | 2 | Complex test case from Schaefer et al. (2007) Piacenza paper [1.4s] -✔ | 7 | Fitting the SFORB model [3.6s] +✔ | 25 | saemix parent models [157.4s] +✔ | 2 | Complex test case from Schaefer et al. (2007) Piacenza paper [1.3s] +✔ | 7 | Fitting the SFORB model [3.2s] ✔ | 1 | Summaries of old mkinfit objects ✔ | 4 | Summary [0.1s] -✔ | 4 | Results for synthetic data established in expertise for UBA (Ranke 2014) [2.2s] -✔ | 9 | Hypothesis tests [8.1s] -✔ | 4 | Calculation of maximum time weighted average concentrations (TWAs) [2.2s] +✔ | 4 | Results for synthetic data established in expertise for UBA (Ranke 2014) [1.9s] +✔ | 9 | Hypothesis tests [6.6s] +✔ | 4 | Calculation of maximum time weighted average concentrations (TWAs) [1.8s] ══ Results ═════════════════════════════════════════════════════════════════════ -Duration: 252.5 s +Duration: 238.2 s ── Skipped tests ────────────────────────────────────────────────────────────── • Fitting this ODE model with saemix takes about 15 minutes on my system (1) -- cgit v1.2.1