From 48d9cad339394c3aa0d730d9a27b1c0680ce13e8 Mon Sep 17 00:00:00 2001 From: Ranke Johannes Date: Mon, 7 Sep 2026 13:45:39 +0200 Subject: Add DTx function, check and test The tolerance of one test had to be increased in test_deSolve.R, and four vdiffr snapshots with negligible differences were updated. Tests run with a maximum of 16 cores when running in the Agroscope Apptainer environment. --- log/build.log | 4 ++-- log/check.log | 29 ++++++++++++++++++----------- log/test.log | 35 ++++++++++++++++++----------------- 3 files changed, 38 insertions(+), 30 deletions(-) (limited to 'log') diff --git a/log/build.log b/log/build.log index b2206986..0d9a46de 100644 --- a/log/build.log +++ b/log/build.log @@ -1,10 +1,10 @@ * checking for file ‘./DESCRIPTION’ ... OK * preparing ‘mkin’: * checking DESCRIPTION meta-information ... OK -* installing the package to build vignettes +* installing the package (it is needed to build vignettes) * creating vignettes ... OK * checking for LF line-endings in source and make files and shell scripts * checking for empty or unneeded directories Removed empty directory ‘mkin/vignettes/web_only’ -* building ‘mkin_1.2.10.tar.gz’ +* building ‘mkin_1.2.11.tar.gz’ diff --git a/log/check.log b/log/check.log index 7f212453..575e96c3 100644 --- a/log/check.log +++ b/log/check.log @@ -1,15 +1,16 @@ -* using log directory ‘/home/jranke/git/mkin/mkin.Rcheck’ -* using R version 4.5.1 (2025-06-13) +* using log directory ‘/home/f80868656/projects/mkin/mkin.Rcheck’ +* using R version 4.6.1 (2026-06-24) * using platform: x86_64-pc-linux-gnu * R was compiled by - gcc (Debian 12.2.0-14+deb12u1) 12.2.0 - GNU Fortran (Debian 12.2.0-14+deb12u1) 12.2.0 -* running under: Debian GNU/Linux 13 (trixie) + gcc (Ubuntu 13.3.0-6ubuntu2~24.04.1) 13.3.0 + GNU Fortran (Ubuntu 13.3.0-6ubuntu2~24.04.1) 13.3.0 +* running under: Ubuntu 24.04.4 LTS * using session charset: UTF-8 +* current time: 2026-09-07 10:01:19 UTC * using options ‘--no-tests --as-cran’ * checking for file ‘mkin/DESCRIPTION’ ... OK * checking extension type ... Package -* this is package ‘mkin’ version ‘1.2.10’ +* this is package ‘mkin’ version ‘1.2.11’ * package encoding: UTF-8 * checking CRAN incoming feasibility ... OK * checking package namespace information ... OK @@ -43,7 +44,7 @@ * checking S3 generic/method consistency ... OK * checking replacement functions ... OK * checking foreign function calls ... OK -* checking R code for possible problems ... OK +* checking R code for possible problems ... [24s/15s] OK * checking Rd files ... OK * checking Rd metadata ... OK * checking Rd line widths ... OK @@ -60,17 +61,23 @@ * checking sizes of PDF files under ‘inst/doc’ ... OK * checking installed files from ‘inst/doc’ ... OK * checking files in ‘vignettes’ ... OK -* checking examples ... [12s/12s] OK +* checking examples ... [37s/21s] OK * checking for unstated dependencies in ‘tests’ ... OK * checking tests ... SKIPPED * checking for unstated dependencies in vignettes ... OK * checking package vignettes ... OK -* checking re-building of vignette outputs ... [15s/11s] OK +* checking re-building of vignette outputs ... [30s/19s] OK * checking PDF version of manual ... OK -* checking HTML version of manual ... OK +* checking HTML version of manual ... NOTE +Skipping checking HTML validation: no command 'tidy' found. +Please obtain a recent version of HTML Tidy by downloading a binary +release or compiling the source code from . * checking for non-standard things in the check directory ... OK * checking for detritus in the temp directory ... OK * DONE -Status: OK +Status: 1 NOTE +See + ‘/home/f80868656/projects/mkin/mkin.Rcheck/00check.log’ +for details. diff --git a/log/test.log b/log/test.log index e1726492..33ee7dfd 100644 --- a/log/test.log +++ b/log/test.log @@ -1,44 +1,45 @@ ℹ Testing mkin ✔ | F W S OK | Context ✔ | 5 | AIC calculation -✔ | 5 | Analytical solutions for coupled models [1.6s] +✔ | 5 | Analytical solutions for coupled models [2.8s] ✔ | 5 | Calculation of Akaike weights ✔ | 3 | Export dataset for reading into CAKE -✔ | 6 | Use of precompiled symbols in mkinpredict [3.7s] +✔ | 6 | Use of precompiled symbols in mkinpredict [4.7s] ✔ | 12 | Confidence intervals and p-values ✔ | 1 | Solutions with deSolve -✔ | 1 12 | Dimethenamid data from 2018 [14.0s] -✔ | 14 | Error model fitting [2.7s] +✔ | 1 12 | Dimethenamid data from 2018 [24.3s] +✔ | 4 | DTx calculations +✔ | 14 | Error model fitting [4.0s] ✔ | 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 [20.5s] -✔ | 2 20 | Nonlinear mixed-effects models [142.6s] +✔ | 10 | Batch fitting and diagnosing hierarchical kinetic models [37.9s] +✔ | 2 20 | Nonlinear mixed-effects models [283.3s] ✔ | 3 | Test dataset classes mkinds and mkindsg ✔ | 10 | Special cases of mkinfit calls ✔ | 3 | mkinfit features ✔ | 8 | mkinmod model generation and printing ✔ | 4 | Model predictions with mkinpredict -✔ | 12 | Multistart method for saem.mmkin models [23.8s] -✔ | 16 | Evaluations according to 2015 NAFTA guidance [1.5s] -✔ | 9 | Nonlinear mixed-effects models with nlme [4.0s] -✔ | 15 | Plotting [4.9s] +✔ | 12 | Multistart method for saem.mmkin models [41.8s] +✔ | 16 | Evaluations according to 2015 NAFTA guidance [2.6s] +✔ | 9 | Nonlinear mixed-effects models with nlme [7.6s] +✔ | 15 | Plotting [9.1s] ✔ | 4 | Residuals extracted from mkinfit models -✔ | 1 38 | saemix parent models [36.1s] +✔ | 1 38 | saemix parent models [66.6s] ✔ | 2 | Complex test case from Schaefer et al. (2007) Piacenza paper ✔ | 11 | Processing of residue series -✔ | 10 | Fitting the SFORB model [1.7s] +✔ | 10 | Fitting the SFORB model [3.0s] ✔ | 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) +✔ | 4 | Results for synthetic data established in expertise for UBA (Ranke 2014) [1.5s] +✔ | 9 | Hypothesis tests [5.3s] +✔ | 4 | Calculation of maximum time weighted average concentrations (TWAs) [1.5s] ✔ | 2 | water-sediment ══ Results ═════════════════════════════════════════════════════════════════════ -Duration: 265.7 s +Duration: 503.1 s ── Skipped tests (4) ─────────────────────────────────────────────────────────── • Fitting this ODE model with saemix takes about 5 minutes on my new system @@ -49,4 +50,4 @@ Duration: 265.7 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 291 ] +[ FAIL 0 | WARN 0 | SKIP 4 | PASS 295 ] -- cgit v1.2.3