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authorJohannes Ranke <jranke@uni-bremen.de>2022-11-08 07:26:57 +0100
committerJohannes Ranke <jranke@uni-bremen.de>2022-11-08 07:33:39 +0100
commitf9343a9f401dce52188fceec456865ba4f2eb95f (patch)
tree9a7b1a020560358c45e8c1b86412414e19a47018 /log
parentb9b3c72cf076ce0393aa53a4d723a195b856c99c (diff)
Simplify SFORB analytical solution, whitespace
I do not know why the formulae for b1 and b2 on page 64 of FOCUS kinetics (2014) were not simplified. Clearly, the term k12 * k21 - (k12 + k1output) * k21) can be simplified to - k1output * k21 The test for equivalence of DFOP and SFORB fits verifies that the change is OK. I also removed trailing whitespaces, substituted tab characters by two whitespaces and removed indenting of text in paragraphs describing parameters in roxygen comments to unify formatting.
Diffstat (limited to 'log')
-rw-r--r--log/test.log40
1 files changed, 20 insertions, 20 deletions
diff --git a/log/test.log b/log/test.log
index 95d50017..52b92245 100644
--- a/log/test.log
+++ b/log/test.log
@@ -1,53 +1,53 @@
ℹ Testing mkin
✔ | F W S OK | Context
✔ | 5 | AIC calculation
-✔ | 5 | Analytical solutions for coupled models [3.4s]
+✔ | 5 | Analytical solutions for coupled models [3.3s]
✔ | 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 [33.0s]
+✔ | 1 12 | Dimethenamid data from 2018 [31.5s]
────────────────────────────────────────────────────────────────────────────────
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 [5.6s]
+✔ | 14 | Error model fitting [4.9s]
✔ | 5 | Time step normalisation
✔ | 4 | Calculation of FOCUS chi2 error levels [0.6s]
-✔ | 14 | Results for FOCUS D established in expertise for UBA (Ranke 2014) [0.9s]
+✔ | 14 | Results for FOCUS D established in expertise for UBA (Ranke 2014) [0.8s]
✔ | 4 | Test fitting the decline of metabolites from their maximum [0.4s]
✔ | 1 | Fitting the logistic model [0.2s]
-✔ | 10 | Batch fitting and diagnosing hierarchical kinetic models [26.9s]
+✔ | 10 | Batch fitting and diagnosing hierarchical kinetic models [23.7s]
✔ | 1 12 | Nonlinear mixed-effects models [0.3s]
────────────────────────────────────────────────────────────────────────────────
Skip (test_mixed.R:74:3): 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 [0.6s]
-✔ | 3 | mkinfit features [0.8s]
-✔ | 8 | mkinmod model generation and printing [0.3s]
-✔ | 3 | Model predictions with mkinpredict [0.4s]
-✔ | 7 | Multistart method for saem.mmkin models [44.7s]
-✔ | 16 | Evaluations according to 2015 NAFTA guidance [2.8s]
-✔ | 9 | Nonlinear mixed-effects models with nlme [9.9s]
-✔ | 16 | Plotting [10.5s]
+✔ | 10 | Special cases of mkinfit calls [0.5s]
+✔ | 3 | mkinfit features [0.7s]
+✔ | 8 | mkinmod model generation and printing [0.2s]
+✔ | 3 | Model predictions with mkinpredict [0.3s]
+✔ | 7 | Multistart method for saem.mmkin models [36.3s]
+✔ | 16 | Evaluations according to 2015 NAFTA guidance [2.3s]
+✔ | 9 | Nonlinear mixed-effects models with nlme [8.9s]
+✔ | 16 | Plotting [10.0s]
✔ | 4 | Residuals extracted from mkinfit models
-✔ | 1 37 | saemix parent models [76.1s]
+✔ | 1 37 | saemix parent models [72.0s]
────────────────────────────────────────────────────────────────────────────────
Skip (test_saemix_parent.R:153:3): 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 [1.5s]
+✔ | 2 | Complex test case from Schaefer et al. (2007) Piacenza paper [1.4s]
✔ | 11 | Processing of residue series
-✔ | 7 | Fitting the SFORB model [3.9s]
+✔ | 7 | Fitting the SFORB model [3.7s]
✔ | 1 | Summaries of old mkinfit objects
✔ | 5 | Summary [0.2s]
-✔ | 4 | Results for synthetic data established in expertise for UBA (Ranke 2014) [2.3s]
-✔ | 9 | Hypothesis tests [8.4s]
-✔ | 4 | Calculation of maximum time weighted average concentrations (TWAs) [2.2s]
+✔ | 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) [2.4s]
══ Results ═════════════════════════════════════════════════════════════════════
-Duration: 237.3 s
+Duration: 216.5 s
── Skipped tests ──────────────────────────────────────────────────────────────
• Fitting this ODE model with saemix takes about 15 minutes on my system (1)

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