From 8b7edd4eaf0d196e674a085f744d1a69260a6c91 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Thu, 16 Nov 2023 06:02:05 +0100 Subject: Update pkgdown docs to bootstrap 5 with search --- docs/articles/web_only/FOCUS_Z.html | 195 ++++++-------- .../figure-html/FOCUS_2006_Z_fits_1-1.png | Bin 66689 -> 67444 bytes .../figure-html/FOCUS_2006_Z_fits_10-1.png | Bin 105896 -> 107009 bytes .../figure-html/FOCUS_2006_Z_fits_11-1.png | Bin 104799 -> 106098 bytes .../figure-html/FOCUS_2006_Z_fits_11a-1.png | Bin 75224 -> 76831 bytes .../figure-html/FOCUS_2006_Z_fits_11b-1.png | Bin 36301 -> 37494 bytes .../figure-html/FOCUS_2006_Z_fits_2-1.png | Bin 66689 -> 67444 bytes .../figure-html/FOCUS_2006_Z_fits_3-1.png | Bin 66448 -> 67259 bytes .../figure-html/FOCUS_2006_Z_fits_5-1.png | Bin 80380 -> 81751 bytes .../figure-html/FOCUS_2006_Z_fits_6-1.png | Bin 105172 -> 106406 bytes .../figure-html/FOCUS_2006_Z_fits_7-1.png | Bin 104538 -> 105359 bytes .../figure-html/FOCUS_2006_Z_fits_9-1.png | Bin 88806 -> 89110 bytes docs/articles/web_only/NAFTA_examples.html | 196 ++++++-------- .../NAFTA_examples_files/figure-html/p10-1.png | Bin 79758 -> 81542 bytes .../NAFTA_examples_files/figure-html/p11-1.png | Bin 76315 -> 77600 bytes .../NAFTA_examples_files/figure-html/p12a-1.png | Bin 81697 -> 83512 bytes .../NAFTA_examples_files/figure-html/p12b-1.png | Bin 70800 -> 71409 bytes .../NAFTA_examples_files/figure-html/p13-1.png | Bin 78121 -> 78613 bytes .../NAFTA_examples_files/figure-html/p14-1.png | Bin 80656 -> 81557 bytes .../NAFTA_examples_files/figure-html/p15a-1.png | Bin 76974 -> 77580 bytes .../NAFTA_examples_files/figure-html/p15b-1.png | Bin 78970 -> 79748 bytes .../NAFTA_examples_files/figure-html/p16-1.png | Bin 93950 -> 94540 bytes .../NAFTA_examples_files/figure-html/p5a-1.png | Bin 82665 -> 83061 bytes .../NAFTA_examples_files/figure-html/p5b-1.png | Bin 80721 -> 81186 bytes .../NAFTA_examples_files/figure-html/p6-1.png | Bin 83052 -> 83142 bytes .../NAFTA_examples_files/figure-html/p7-1.png | Bin 102570 -> 102934 bytes .../NAFTA_examples_files/figure-html/p8-1.png | Bin 92407 -> 93632 bytes .../NAFTA_examples_files/figure-html/p9a-1.png | Bin 78605 -> 78782 bytes .../NAFTA_examples_files/figure-html/p9b-1.png | Bin 76240 -> 76883 bytes docs/articles/web_only/benchmarks.html | 217 ++++++--------- docs/articles/web_only/compiled_models.html | 216 ++++++--------- docs/articles/web_only/dimethenamid_2018.html | 295 +++++++++------------ docs/articles/web_only/multistart.html | 193 ++++++-------- .../figure-html/unnamed-chunk-3-1.png | Bin 64334 -> 65359 bytes .../figure-html/unnamed-chunk-4-1.png | Bin 52775 -> 53645 bytes .../figure-html/unnamed-chunk-5-1.png | Bin 22131 -> 22804 bytes docs/articles/web_only/saem_benchmarks.html | 219 ++++++--------- 37 files changed, 596 insertions(+), 935 deletions(-) (limited to 'docs/articles/web_only') diff --git a/docs/articles/web_only/FOCUS_Z.html b/docs/articles/web_only/FOCUS_Z.html index f19f59ad..7fd597d2 100644 --- a/docs/articles/web_only/FOCUS_Z.html +++ b/docs/articles/web_only/FOCUS_Z.html @@ -4,144 +4,104 @@ - + + Example evaluation of FOCUS dataset Z • mkin - - - + + + - - + - + + Skip to contents -
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- - - +
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- diff --git a/docs/articles/web_only/compiled_models.html b/docs/articles/web_only/compiled_models.html index 1aa88e05..210ddaf7 100644 --- a/docs/articles/web_only/compiled_models.html +++ b/docs/articles/web_only/compiled_models.html @@ -4,144 +4,103 @@ - + + Performance benefit by using compiled model definitions in mkin • mkin - - - + + + - - + - + + Skip to contents -
-
-
- @@ -250,44 +209,37 @@ compiled code is available.

}
## Temporary DLL for differentials generated and loaded
##                    test replications relative elapsed
-## 2     deSolve, compiled            1    1.000   0.492
-## 1 deSolve, not compiled            1   20.398  10.036
-

Here we get a performance benefit of a factor of 20 using the version +## 2 deSolve, compiled 1 1.000 0.181 +## 1 deSolve, not compiled 1 23.646 4.280 +

Here we get a performance benefit of a factor of 24 using the version of the differential equation model compiled from C code!

This vignette was built with mkin 1.2.6 on

-
## R version 4.3.1 (2023-06-16)
+
## R version 4.3.2 (2023-10-31)
 ## Platform: x86_64-pc-linux-gnu (64-bit)
-## Running under: Ubuntu 22.04.3 LTS
-
## CPU model: Intel(R) Xeon(R) Gold 6134 CPU @ 3.20GHz
-
-
- - - +
-
- diff --git a/docs/articles/web_only/dimethenamid_2018.html b/docs/articles/web_only/dimethenamid_2018.html index 1cffd561..4221ba07 100644 --- a/docs/articles/web_only/dimethenamid_2018.html +++ b/docs/articles/web_only/dimethenamid_2018.html @@ -4,145 +4,104 @@ - + + Example evaluations of the dimethenamid data from 2018 • mkin - - - + + + - - + - + + Skip to contents -
-
-
-

The population curve (bold line) in the above plot results from taking the mean of the individual transformed parameters, i.e. of log k1 @@ -242,7 +201,7 @@ dominates the average. This is alleviated if only rate constants that pass the t-test for significant difference from zero (on the untransformed scale) are considered in the averaging:

-plot(mixed(f_parent_mkin_const["DFOP", ]), test_log_parms = TRUE)
+plot(mixed(f_parent_mkin_const["DFOP", ]), test_log_parms = TRUE)

While this is visually much more satisfactory, such an average procedure could introduce a bias, as not all results from the individual @@ -254,7 +213,7 @@ degradation model and the error model (see below).

predicted residues is reduced by using the two-component error model:

-plot(mixed(f_parent_mkin_tc["DFOP", ]), test_log_parms = TRUE)
+plot(mixed(f_parent_mkin_tc["DFOP", ]), test_log_parms = TRUE)

However, note that in the case of using this error model, the fits to the Flaach and BBA 2.3 datasets appear to be ill-defined, indicated by @@ -344,7 +303,7 @@ effects does not improve the fits.

The selected model (DFOP with two-component error) fitted to the data assuming no correlations between random effects is shown below.

-plot(f_parent_nlme_dfop_tc)
+plot(f_parent_nlme_dfop_tc)

@@ -361,17 +320,8 @@ implemented in the saemix package, the convergence plots need to be manually checked for every fit. We define control settings that work well for all the parent data fits shown in this vignette.

-library(saemix)
-
Loading required package: npde
-
Package saemix, version 3.2
-  please direct bugs, questions and feedback to emmanuelle.comets@inserm.fr
-

-Attaching package: 'saemix'
-
The following objects are masked from 'package:npde':
-
-    kurtosis, skewness
-
-saemix_control <- saemixControl(nbiter.saemix = c(800, 300), nb.chains = 15,
+library(saemix)
+saemix_control <- saemixControl(nbiter.saemix = c(800, 300), nb.chains = 15,
     print = FALSE, save = FALSE, save.graphs = FALSE, displayProgress = FALSE)
 saemix_control_moreiter <- saemixControl(nbiter.saemix = c(1600, 300), nb.chains = 15,
     print = FALSE, save = FALSE, save.graphs = FALSE, displayProgress = FALSE)
@@ -379,7 +329,7 @@ Attaching package: 'saemix'
print = FALSE, save = FALSE, save.graphs = FALSE, displayProgress = FALSE)

The convergence plot for the SFO model using constant variance is shown below.

-
+
 f_parent_saemix_sfo_const <- mkin::saem(f_parent_mkin_const["SFO", ], quiet = TRUE,
   control = saemix_control, transformations = "saemix")
 plot(f_parent_saemix_sfo_const$so, plot.type = "convergence")
@@ -387,19 +337,19 @@ shown below.

Obviously the selected number of iterations is sufficient to reach convergence. This can also be said for the SFO fit using the two-component error model.

-
+
 f_parent_saemix_sfo_tc <- mkin::saem(f_parent_mkin_tc["SFO", ], quiet = TRUE,
   control = saemix_control, transformations = "saemix")
 plot(f_parent_saemix_sfo_tc$so, plot.type = "convergence")

When fitting the DFOP model with constant variance (see below), parameter convergence is not as unambiguous.

-
+
 f_parent_saemix_dfop_const <- mkin::saem(f_parent_mkin_const["DFOP", ], quiet = TRUE,
   control = saemix_control, transformations = "saemix")
 plot(f_parent_saemix_dfop_const$so, plot.type = "convergence")

-
+
 print(f_parent_saemix_dfop_const)
Kinetic nonlinear mixed-effects model fit by SAEM
 Structural model:
@@ -435,14 +385,14 @@ this model.

also observe that the estimated variance of k2 becomes very small, while being ill-defined, as illustrated by the excessive confidence interval of SD.k2.

-
+
 f_parent_saemix_dfop_tc <- mkin::saem(f_parent_mkin_tc["DFOP", ], quiet = TRUE,
   control = saemix_control, transformations = "saemix")
 f_parent_saemix_dfop_tc_moreiter <- mkin::saem(f_parent_mkin_tc["DFOP", ], quiet = TRUE,
   control = saemix_control_moreiter, transformations = "saemix")
 plot(f_parent_saemix_dfop_tc$so, plot.type = "convergence")

-
+
 print(f_parent_saemix_dfop_tc)
Kinetic nonlinear mixed-effects model fit by SAEM
 Structural model:
@@ -484,7 +434,7 @@ message.

The four combinations (SFO/const, SFO/tc, DFOP/const and DFOP/tc) and the version with increased iterations can be compared using the model comparison function of the saemix package:

-
+
 AIC_parent_saemix <- saemix::compare.saemix(
   f_parent_saemix_sfo_const$so,
   f_parent_saemix_sfo_tc$so,
@@ -492,7 +442,7 @@ comparison function of the saemix package:

f_parent_saemix_dfop_tc$so, f_parent_saemix_dfop_tc_moreiter$so)
Likelihoods calculated by importance sampling
-
+
 rownames(AIC_parent_saemix) <- c(
   "SFO const", "SFO tc", "DFOP const", "DFOP tc", "DFOP tc more iterations")
 print(AIC_parent_saemix)
@@ -506,7 +456,7 @@ DFOP tc more iterations 665.85 663.76
algorithms implemented in saemix, the likelihood from Gaussian quadrature is added to the best fit, and the AIC values obtained from the three methods are compared.

-
+
 f_parent_saemix_dfop_tc$so <-
   saemix::llgq.saemix(f_parent_saemix_dfop_tc$so)
 AIC_parent_saemix_methods <- c(
@@ -530,7 +480,7 @@ iterations makes a lot of difference. When using the LAPACK version
 coming with Debian Bullseye, the AIC based on Gaussian quadrature is
 almost the same as the one obtained with the other methods, also when
 using defaults for the fit.

-
+
 f_parent_saemix_dfop_tc_defaults <- mkin::saem(f_parent_mkin_tc["DFOP", ])
 f_parent_saemix_dfop_tc_defaults$so <-
   saemix::llgq.saemix(f_parent_saemix_dfop_tc_defaults$so)
@@ -550,7 +500,7 @@ using defaults for the fit.

The following table gives the AIC values obtained with both backend packages using the same control parameters (800 iterations burn-in, 300 iterations second phase, 15 chains).

-
+
 AIC_all <- data.frame(
   check.names = FALSE,
   "Degradation model" = c("SFO", "SFO", "DFOP", "DFOP"),
@@ -561,7 +511,7 @@ iterations second phase, 15 chains).

saemix_is = sapply(list(f_parent_saemix_sfo_const$so, f_parent_saemix_sfo_tc$so, f_parent_saemix_dfop_const$so, f_parent_saemix_dfop_tc$so), AIC, method = "is") ) -kable(AIC_all)
+kable(AIC_all)
@@ -624,48 +574,48 @@ satisfactory precision.

Session Info

-
+
-
R version 4.3.1 (2023-06-16)
+
R version 4.3.2 (2023-10-31)
 Platform: x86_64-pc-linux-gnu (64-bit)
-Running under: Ubuntu 22.04.3 LTS
+Running under: Debian GNU/Linux 12 (bookworm)
 
 Matrix products: default
-BLAS:   /usr/lib/x86_64-linux-gnu/blas/libblas.so.3.10.0 
-LAPACK: /usr/lib/x86_64-linux-gnu/lapack/liblapack.so.3.10.0
+BLAS:   /usr/lib/x86_64-linux-gnu/blas/libblas.so.3.11.0 
+LAPACK: /usr/lib/x86_64-linux-gnu/lapack/liblapack.so.3.11.0
 
 locale:
- [1] LC_CTYPE=en_US.UTF-8       LC_NUMERIC=C              
- [3] LC_TIME=C                  LC_COLLATE=en_US.UTF-8    
- [5] LC_MONETARY=en_US.UTF-8    LC_MESSAGES=en_US.UTF-8   
- [7] LC_PAPER=en_US.UTF-8       LC_NAME=C                 
+ [1] LC_CTYPE=de_DE.UTF-8       LC_NUMERIC=C              
+ [3] LC_TIME=C                  LC_COLLATE=de_DE.UTF-8    
+ [5] LC_MONETARY=de_DE.UTF-8    LC_MESSAGES=de_DE.UTF-8   
+ [7] LC_PAPER=de_DE.UTF-8       LC_NAME=C                 
  [9] LC_ADDRESS=C               LC_TELEPHONE=C            
-[11] LC_MEASUREMENT=en_US.UTF-8 LC_IDENTIFICATION=C       
+[11] LC_MEASUREMENT=de_DE.UTF-8 LC_IDENTIFICATION=C       
 
-time zone: Europe/Zurich
+time zone: Europe/Berlin
 tzcode source: system (glibc)
 
 attached base packages:
 [1] stats     graphics  grDevices utils     datasets  methods   base     
 
 other attached packages:
-[1] saemix_3.2   npde_3.3     nlme_3.1-163 mkin_1.2.6   knitr_1.44  
+[1] saemix_3.2   npde_3.3     nlme_3.1-163 mkin_1.2.6   knitr_1.42  
 
 loaded via a namespace (and not attached):
- [1] sass_0.4.7        utf8_1.2.3        generics_0.1.3    stringi_1.7.12   
- [5] lattice_0.21-9    digest_0.6.33     magrittr_2.0.3    evaluate_0.22    
- [9] grid_4.3.1        fastmap_1.1.1     rprojroot_2.0.3   jsonlite_1.8.7   
-[13] mclust_6.0.0      gridExtra_2.3     purrr_1.0.1       fansi_1.0.4      
-[17] scales_1.2.1      codetools_0.2-19  textshaping_0.3.6 jquerylib_0.1.4  
-[21] cli_3.6.1         rlang_1.1.1       munsell_0.5.0     cachem_1.0.8     
-[25] yaml_2.3.7        tools_4.3.1       parallel_4.3.1    memoise_2.0.1    
-[29] dplyr_1.1.2       colorspace_2.1-0  ggplot2_3.4.2     vctrs_0.6.3      
-[33] R6_2.5.1          zoo_1.8-12        lifecycle_1.0.3   stringr_1.5.0    
-[37] fs_1.6.3          MASS_7.3-60       ragg_1.2.5        pkgconfig_2.0.3  
-[41] desc_1.4.2        pkgdown_2.0.7     bslib_0.5.1       pillar_1.9.0     
-[45] gtable_0.3.3      glue_1.6.2        systemfonts_1.0.4 xfun_0.40        
-[49] tibble_3.2.1      lmtest_0.9-40     tidyselect_1.2.0  rstudioapi_0.15.0
-[53] htmltools_0.5.6.1 rmarkdown_2.23    compiler_4.3.1   
+ [1] sass_0.4.6 utf8_1.2.3 generics_0.1.3 stringi_1.7.12 + [5] lattice_0.21-8 digest_0.6.31 magrittr_2.0.3 evaluate_0.21 + [9] grid_4.3.2 fastmap_1.1.1 rprojroot_2.0.3 jsonlite_1.8.4 +[13] DBI_1.1.3 mclust_6.0.0 gridExtra_2.3 purrr_1.0.1 +[17] fansi_1.0.4 scales_1.2.1 codetools_0.2-19 textshaping_0.3.6 +[21] jquerylib_0.1.4 cli_3.6.1 rlang_1.1.1 munsell_0.5.0 +[25] cachem_1.0.8 yaml_2.3.7 tools_4.3.2 parallel_4.3.2 +[29] memoise_2.0.1 dplyr_1.1.2 colorspace_2.1-0 ggplot2_3.4.2 +[33] vctrs_0.6.2 R6_2.5.1 zoo_1.8-12 lifecycle_1.0.3 +[37] stringr_1.5.0 fs_1.6.2 MASS_7.3-60 ragg_1.2.5 +[41] pkgconfig_2.0.3 desc_1.4.2 pkgdown_2.0.7 bslib_0.4.2 +[45] pillar_1.9.0 gtable_0.3.3 glue_1.6.2 systemfonts_1.0.4 +[49] highr_0.10 xfun_0.39 tibble_3.2.1 lmtest_0.9-40 +[53] tidyselect_1.2.0 htmltools_0.5.5 rmarkdown_2.21 compiler_4.3.2

References @@ -690,34 +640,27 @@ November 2017.” - - -

- +
- - diff --git a/docs/articles/web_only/multistart.html b/docs/articles/web_only/multistart.html index dff087e4..4438adc3 100644 --- a/docs/articles/web_only/multistart.html +++ b/docs/articles/web_only/multistart.html @@ -4,144 +4,104 @@ - + +Short demo of the multistart method • mkin - - - + + + - - + - + + Skip to contents -
-
-
- -
- diff --git a/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-3-1.png b/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-3-1.png index 8be6ba61..f41dc889 100644 Binary files a/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-3-1.png and b/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-3-1.png differ diff --git a/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-4-1.png b/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-4-1.png index bc518c0c..9e206791 100644 Binary files a/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-4-1.png and b/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-4-1.png differ diff --git a/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-5-1.png b/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-5-1.png index 9ecdf4c9..c8e918cd 100644 Binary files a/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-5-1.png and b/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-5-1.png differ diff --git a/docs/articles/web_only/saem_benchmarks.html b/docs/articles/web_only/saem_benchmarks.html index 9180773e..91e41a5b 100644 --- a/docs/articles/web_only/saem_benchmarks.html +++ b/docs/articles/web_only/saem_benchmarks.html @@ -4,144 +4,104 @@ - + + Benchmark timings for saem.mmkin • mkin - - - + + + - - + - + + Skip to contents -
-
-
-
Degradation model
@@ -440,10 +400,10 @@ systems. All trademarks belong to their respective owners.

- - - - + + + +
Linux 1.2.6 3.21.1261.9712.3592.4241.1352.0252.4062.478
@@ -555,10 +515,10 @@ systems. All trademarks belong to their respective owners.

Linux 1.2.6 3.2 -2.116 -3.246 -3.602 -3.036 +2.161 +3.325 +3.669 +3.153 @@ -654,8 +614,8 @@ systems. All trademarks belong to their respective owners.

Linux 1.2.6 3.2 -11.712 -290.532 +12.007 +286.757 @@ -741,40 +701,33 @@ systems. All trademarks belong to their respective owners.

Linux 1.2.6 3.2 -479.161 +480.577
-
- - -
- -
- -- cgit v1.2.1