diff options
| -rw-r--r-- | NAMESPACE | 1 | ||||
| -rw-r--r-- | R/saem.R | 3 | ||||
| -rw-r--r-- | docs/dev/articles/web_only/benchmarks.html | 29 | ||||
| -rw-r--r-- | docs/dev/articles/web_only/saem_benchmarks.html | 29 | ||||
| -rw-r--r-- | docs/dev/pkgdown.yml | 2 | ||||
| -rw-r--r-- | docs/dev/reference/Rplot001.png | bin | 1011 -> 22432 bytes | |||
| -rw-r--r-- | docs/dev/reference/logLik.saem.mmkin.html | 5 | ||||
| -rw-r--r-- | docs/dev/reference/mkinpredict.html | 13 | ||||
| -rw-r--r-- | docs/dev/reference/saem.html | 11 | ||||
| -rw-r--r-- | log/test.log | 16 | ||||
| -rw-r--r-- | vignettes/web_only/benchmarks.rmd | 2 | ||||
| -rw-r--r-- | vignettes/web_only/mkin_benchmarks.rda | bin | 1597 -> 1586 bytes | |||
| -rw-r--r-- | vignettes/web_only/saem_benchmarks.R | 121 | ||||
| -rw-r--r-- | vignettes/web_only/saem_benchmarks.html | 22 | ||||
| -rw-r--r-- | vignettes/web_only/saem_benchmarks.rda | bin | 366 -> 359 bytes | |||
| -rw-r--r-- | vignettes/web_only/saem_benchmarks.rmd | 2 | 
16 files changed, 76 insertions, 180 deletions
| @@ -160,6 +160,7 @@ importFrom(parallel,detectCores)  importFrom(parallel,mclapply)  importFrom(parallel,parLapply)  importFrom(rlang,"!!!") +importFrom(saemix,saemix)  importFrom(stats,AIC)  importFrom(stats,BIC)  importFrom(stats,aggregate) @@ -14,6 +14,7 @@ utils::globalVariables(c("predicted", "std"))  #' using [mmkin].  #'  #' @importFrom utils packageVersion +#' @importFrom saemix saemix  #' @param object An [mmkin] row object containing several fits of the same  #' [mkinmod] model to different datasets  #' @param verbose Should we print information about created objects of @@ -175,7 +176,7 @@ saem.mmkin <- function(object,    fit_failed <- FALSE    FIM_failed <- NULL    fit_time <- system.time({ -    utils::capture.output(f_saemix <- try(saemix::saemix(m_saemix, d_saemix, control)), split = !quiet) +    utils::capture.output(f_saemix <- try(saemix(m_saemix, d_saemix, control)), split = !quiet)      if (inherits(f_saemix, "try-error")) fit_failed <- TRUE    }) diff --git a/docs/dev/articles/web_only/benchmarks.html b/docs/dev/articles/web_only/benchmarks.html index cb048453..5c7aa3dc 100644 --- a/docs/dev/articles/web_only/benchmarks.html +++ b/docs/dev/articles/web_only/benchmarks.html @@ -78,7 +78,10 @@        <a href="../../articles/web_only/NAFTA_examples.html">Example evaluation of NAFTA SOP Attachment examples</a>      </li>      <li> -      <a href="../../articles/web_only/benchmarks.html">Some benchmark timings</a> +      <a href="../../articles/web_only/benchmarks.html">Benchmark timings for mkin</a> +    </li> +    <li> +      <a href="../../articles/web_only/saem_benchmarks.html">Benchmark timings for saem.mmkin</a>      </li>    </ul>  </li> @@ -109,7 +112,7 @@        <h1 data-toc-skip>Benchmark timings for mkin</h1>                          <h4 data-toc-skip class="author">Johannes Ranke</h4> -            <h4 data-toc-skip class="date">Last change 14 July 2022 (rebuilt 2022-11-14)</h4> +            <h4 data-toc-skip class="date">Last change 14 July 2022 (rebuilt 2022-11-15)</h4>        <small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/vignettes/web_only/benchmarks.rmd" class="external-link"><code>vignettes/web_only/benchmarks.rmd</code></a></small>        <div class="hidden name"><code>benchmarks.rmd</code></div> @@ -348,8 +351,8 @@  <td align="left">Ryzen 7 1700</td>  <td align="left">4.2.2</td>  <td align="left">1.2.0</td> -<td align="right">2.030</td> -<td align="right">3.791</td> +<td align="right">2.129</td> +<td align="right">3.784</td>  </tr>  </tbody>  </table> @@ -527,9 +530,9 @@  <td align="left">Ryzen 7 1700</td>  <td align="left">4.2.2</td>  <td align="left">1.2.0</td> -<td align="right">1.579</td> -<td align="right">6.591</td> -<td align="right">3.107</td> +<td align="right">1.559</td> +<td align="right">6.097</td> +<td align="right">2.841</td>  </tr>  </tbody>  </table> @@ -761,12 +764,12 @@  <td align="left">Ryzen 7 1700</td>  <td align="left">4.2.2</td>  <td align="left">1.2.0</td> -<td align="right">0.915</td> -<td align="right">1.426</td> -<td align="right">1.613</td> -<td align="right">3.224</td> -<td align="right">2.068</td> -<td align="right">2.962</td> +<td align="right">0.911</td> +<td align="right">1.328</td> +<td align="right">1.519</td> +<td align="right">2.986</td> +<td align="right">1.957</td> +<td align="right">2.769</td>  </tr>  </tbody>  </table> diff --git a/docs/dev/articles/web_only/saem_benchmarks.html b/docs/dev/articles/web_only/saem_benchmarks.html index 97ea6fd4..e54bc38c 100644 --- a/docs/dev/articles/web_only/saem_benchmarks.html +++ b/docs/dev/articles/web_only/saem_benchmarks.html @@ -78,7 +78,10 @@        <a href="../../articles/web_only/NAFTA_examples.html">Example evaluation of NAFTA SOP Attachment examples</a>      </li>      <li> -      <a href="../../articles/web_only/benchmarks.html">Some benchmark timings</a> +      <a href="../../articles/web_only/benchmarks.html">Benchmark timings for mkin</a> +    </li> +    <li> +      <a href="../../articles/web_only/saem_benchmarks.html">Benchmark timings for saem.mmkin</a>      </li>    </ul>  </li> @@ -109,7 +112,7 @@        <h1 data-toc-skip>Benchmark timings for saem.mmkin</h1>                          <h4 data-toc-skip class="author">Johannes Ranke</h4> -            <h4 data-toc-skip class="date">Last change 14 November 2022 (rebuilt 2022-11-14)</h4> +            <h4 data-toc-skip class="date">Last change 14 November 2022 (rebuilt 2022-11-15)</h4>        <small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/vignettes/web_only/saem_benchmarks.rmd" class="external-link"><code>vignettes/web_only/saem_benchmarks.rmd</code></a></small>        <div class="hidden name"><code>saem_benchmarks.rmd</code></div> @@ -306,10 +309,10 @@  <td align="left">Linux</td>  <td align="left">1.2.0</td>  <td align="left">3.2</td> -<td align="right">2.589</td> -<td align="right">4.945</td> -<td align="right">4.786</td> -<td align="right">4.484</td> +<td align="right">2.11</td> +<td align="right">4.632</td> +<td align="right">4.264</td> +<td align="right">4.93</td>  </tr></tbody>  </table>  <p>Two-component error fits for SFO, DFOP, SFORB and HS.</p> @@ -329,10 +332,10 @@  <td align="left">Linux</td>  <td align="left">1.2.0</td>  <td align="left">3.2</td> -<td align="right">5.645</td> -<td align="right">8.115</td> -<td align="right">7.737</td> -<td align="right">7.782</td> +<td align="right">5.602</td> +<td align="right">7.373</td> +<td align="right">7.815</td> +<td align="right">7.831</td>  </tr></tbody>  </table>  </div> @@ -354,8 +357,8 @@  <td align="left">Linux</td>  <td align="left">1.2.0</td>  <td align="left">3.2</td> -<td align="right">25.921</td> -<td align="right">766.034</td> +<td align="right">24.014</td> +<td align="right">749.699</td>  </tr></tbody>  </table>  </div> @@ -376,7 +379,7 @@  <td align="left">Linux</td>  <td align="left">1.2.0</td>  <td align="left">3.2</td> -<td align="right">1269.799</td> +<td align="right">1249.834</td>  </tr></tbody>  </table>  </div> diff --git a/docs/dev/pkgdown.yml b/docs/dev/pkgdown.yml index ad0d8b19..e0c11a84 100644 --- a/docs/dev/pkgdown.yml +++ b/docs/dev/pkgdown.yml @@ -13,7 +13,7 @@ articles:    dimethenamid_2018: web_only/dimethenamid_2018.html    multistart: web_only/multistart.html    saem_benchmarks: web_only/saem_benchmarks.html -last_built: 2022-11-14T20:49Z +last_built: 2022-11-14T23:45Z  urls:    reference: https://pkgdown.jrwb.de/mkin/reference    article: https://pkgdown.jrwb.de/mkin/articles diff --git a/docs/dev/reference/Rplot001.png b/docs/dev/reference/Rplot001.pngBinary files differ index 17a35806..b3448db0 100644 --- a/docs/dev/reference/Rplot001.png +++ b/docs/dev/reference/Rplot001.png diff --git a/docs/dev/reference/logLik.saem.mmkin.html b/docs/dev/reference/logLik.saem.mmkin.html index b1ea22ef..ebef3b10 100644 --- a/docs/dev/reference/logLik.saem.mmkin.html +++ b/docs/dev/reference/logLik.saem.mmkin.html @@ -59,7 +59,10 @@        <a href="../articles/web_only/NAFTA_examples.html">Example evaluation of NAFTA SOP Attachment examples</a>      </li>      <li> -      <a href="../articles/web_only/benchmarks.html">Some benchmark timings</a> +      <a href="../articles/web_only/benchmarks.html">Benchmark timings for mkin</a> +    </li> +    <li> +      <a href="../articles/web_only/saem_benchmarks.html">Benchmark timings for saem.mmkin</a>      </li>    </ul></li>  <li> diff --git a/docs/dev/reference/mkinpredict.html b/docs/dev/reference/mkinpredict.html index 14f2b75b..37930912 100644 --- a/docs/dev/reference/mkinpredict.html +++ b/docs/dev/reference/mkinpredict.html @@ -61,7 +61,10 @@ kinetic parameters and initial values for the state variables."><meta name="robo        <a href="../articles/web_only/NAFTA_examples.html">Example evaluation of NAFTA SOP Attachment examples</a>      </li>      <li> -      <a href="../articles/web_only/benchmarks.html">Some benchmark timings</a> +      <a href="../articles/web_only/benchmarks.html">Benchmark timings for mkin</a> +    </li> +    <li> +      <a href="../articles/web_only/saem_benchmarks.html">Benchmark timings for saem.mmkin</a>      </li>    </ul></li>  <li> @@ -371,10 +374,10 @@ as these always return mapped output.</p></dd>  <span class="r-in"><span><span class="op">}</span></span></span>  <span class="r-msg co"><span class="r-pr">#></span> Loading required package: rbenchmark</span>  <span class="r-out co"><span class="r-pr">#></span>               test relative elapsed</span> -<span class="r-out co"><span class="r-pr">#></span> 2 deSolve_compiled     1.00   0.004</span> -<span class="r-out co"><span class="r-pr">#></span> 4       analytical     5.25   0.021</span> -<span class="r-out co"><span class="r-pr">#></span> 1            eigen     6.00   0.024</span> -<span class="r-out co"><span class="r-pr">#></span> 3          deSolve    52.50   0.210</span> +<span class="r-out co"><span class="r-pr">#></span> 2 deSolve_compiled      1.0   0.005</span> +<span class="r-out co"><span class="r-pr">#></span> 1            eigen      4.2   0.021</span> +<span class="r-out co"><span class="r-pr">#></span> 4       analytical      4.2   0.021</span> +<span class="r-out co"><span class="r-pr">#></span> 3          deSolve     40.8   0.204</span>  <span class="r-in"><span></span></span>  <span class="r-in"><span><span class="co"># \dontrun{</span></span></span>  <span class="r-in"><span>  <span class="co"># Predict from a fitted model</span></span></span> diff --git a/docs/dev/reference/saem.html b/docs/dev/reference/saem.html index 968dc68c..73382cba 100644 --- a/docs/dev/reference/saem.html +++ b/docs/dev/reference/saem.html @@ -61,7 +61,10 @@ Expectation Maximisation algorithm (SAEM)."><meta name="robots" content="noindex        <a href="../articles/web_only/NAFTA_examples.html">Example evaluation of NAFTA SOP Attachment examples</a>      </li>      <li> -      <a href="../articles/web_only/benchmarks.html">Some benchmark timings</a> +      <a href="../articles/web_only/benchmarks.html">Benchmark timings for mkin</a> +    </li> +    <li> +      <a href="../articles/web_only/saem_benchmarks.html">Benchmark timings for saem.mmkin</a>      </li>    </ul></li>  <li> @@ -429,8 +432,8 @@ using <a href="mmkin.html">mmkin</a>.</p>  <span class="r-out co"><span class="r-pr">#></span> saemix version used for fitting:      3.2 </span>  <span class="r-out co"><span class="r-pr">#></span> mkin version used for pre-fitting:  1.2.0 </span>  <span class="r-out co"><span class="r-pr">#></span> R version used for fitting:         4.2.2 </span> -<span class="r-out co"><span class="r-pr">#></span> Date of fit:     Mon Nov 14 21:06:30 2022 </span> -<span class="r-out co"><span class="r-pr">#></span> Date of summary: Mon Nov 14 21:06:30 2022 </span> +<span class="r-out co"><span class="r-pr">#></span> Date of fit:     Tue Nov 15 00:45:58 2022 </span> +<span class="r-out co"><span class="r-pr">#></span> Date of summary: Tue Nov 15 00:45:58 2022 </span>  <span class="r-out co"><span class="r-pr">#></span> </span>  <span class="r-out co"><span class="r-pr">#></span> Equations:</span>  <span class="r-out co"><span class="r-pr">#></span> d_parent/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 *</span> @@ -445,7 +448,7 @@ using <a href="mmkin.html">mmkin</a>.</p>  <span class="r-out co"><span class="r-pr">#></span> </span>  <span class="r-out co"><span class="r-pr">#></span> Model predictions using solution type analytical </span>  <span class="r-out co"><span class="r-pr">#></span> </span> -<span class="r-out co"><span class="r-pr">#></span> Fitted in 9.625 s</span> +<span class="r-out co"><span class="r-pr">#></span> Fitted in 9.189 s</span>  <span class="r-out co"><span class="r-pr">#></span> Using 300, 100 iterations and 10 chains</span>  <span class="r-out co"><span class="r-pr">#></span> </span>  <span class="r-out co"><span class="r-pr">#></span> Variance model: Constant variance </span> diff --git a/log/test.log b/log/test.log index f20a7f18..7005ac37 100644 --- a/log/test.log +++ b/log/test.log @@ -5,7 +5,7 @@  ✔ |         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 [32.1s] +✔ |     1  12 | Dimethenamid data from 2018 [32.4s]  ────────────────────────────────────────────────────────────────────────────────  Skip ('test_dmta.R:98'): Different backends get consistent results for SFO-SFO3+, dimethenamid data  Reason: Fitting this ODE model with saemix takes about 15 minutes on my system @@ -14,9 +14,9 @@ Reason: Fitting this ODE model with saemix takes about 15 minutes on my system  ✔ |         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) [0.8s] -✔ |         4 | Test fitting the decline of metabolites from their maximum [0.3s] +✔ |         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 [24.0s] +✔ |        10 | Batch fitting and diagnosing hierarchical kinetic models [24.2s]  ✔ |     1  12 | Nonlinear mixed-effects models [0.3s]  ────────────────────────────────────────────────────────────────────────────────  Skip ('test_mixed.R:74'): saemix results are reproducible for biphasic fits @@ -26,13 +26,13 @@ Reason: Fitting with saemix takes around 10 minutes when using deSolve  ✔ |        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 [0.4s] -✔ |         7 | Multistart method for saem.mmkin models [36.7s] +✔ |         3 | Model predictions with mkinpredict [0.3s] +✔ |         7 | Multistart method for saem.mmkin models [36.9s]  ✔ |        16 | Evaluations according to 2015 NAFTA guidance [2.3s] -✔ |         9 | Nonlinear mixed-effects models with nlme [8.5s] +✔ |         9 | Nonlinear mixed-effects models with nlme [8.6s]  ✔ |        16 | Plotting [9.8s]  ✔ |         4 | Residuals extracted from mkinfit models -✔ |     1  36 | saemix parent models [66.4s] +✔ |     1  36 | saemix parent models [66.3s]  ────────────────────────────────────────────────────────────────────────────────  Skip ('test_saemix_parent.R:143'): We can also use mkin solution methods for saem  Reason: This still takes almost 2.5 minutes although we do not solve ODEs @@ -47,7 +47,7 @@ Reason: This still takes almost 2.5 minutes although we do not solve ODEs  ✔ |         4 | Calculation of maximum time weighted average concentrations (TWAs) [2.2s]  ══ Results ═════════════════════════════════════════════════════════════════════ -Duration: 211.1 s +Duration: 211.7 s  ── Skipped tests  ──────────────────────────────────────────────────────────────  • Fitting this ODE model with saemix takes about 15 minutes on my system (1) diff --git a/vignettes/web_only/benchmarks.rmd b/vignettes/web_only/benchmarks.rmd index de8ee723..117dc96a 100644 --- a/vignettes/web_only/benchmarks.rmd +++ b/vignettes/web_only/benchmarks.rmd @@ -141,7 +141,7 @@ t11 <- system.time(mmkin_bench(list(m_synth_DFOP_par), list(DFOP_par_c),  ```{r results, include = FALSE}  mkin_benchmarks[system_string, paste0("t", 1:11)] <-    c(t1, t2, t3, t4, t5, t6, t7, t8, t9, t10, t11) -save(mkin_benchmarks, file = benchmark_path) +save(mkin_benchmarks, file = benchmark_path, version = 2)  # Hide rownames from kable for results section  rownames(mkin_benchmarks) <- NULL  ``` diff --git a/vignettes/web_only/mkin_benchmarks.rda b/vignettes/web_only/mkin_benchmarks.rdaBinary files differ index a0d4c72c..2d3deb26 100644 --- a/vignettes/web_only/mkin_benchmarks.rda +++ b/vignettes/web_only/mkin_benchmarks.rda diff --git a/vignettes/web_only/saem_benchmarks.R b/vignettes/web_only/saem_benchmarks.R deleted file mode 100644 index 210e79e3..00000000 --- a/vignettes/web_only/saem_benchmarks.R +++ /dev/null @@ -1,121 +0,0 @@ -## ---- include = FALSE--------------------------------------------------------- -library("knitr") # For the kable() function -opts_chunk$set(tidy = FALSE, cache = FALSE) -library("mkin") - -## ----include = FALSE---------------------------------------------------------- -cpu_model <- benchmarkme::get_cpu()$model_name -# Abbreviate CPU identifiers -cpu_model <- gsub("AMD ", "", cpu_model) -cpu_model <- gsub("Intel\\(R\\) Core\\(TM\\) ", "", cpu_model) -cpu_model <- gsub(" Eight-Core Processor", "", cpu_model) -cpu_model <- gsub(" CPU @ 2.50GHz", "", cpu_model) - -operating_system <- Sys.info()[["sysname"]] -mkin_version <- as.character(packageVersion("mkin")) -saemix_version <- as.character(packageVersion("saemix")) -R_version <- paste0(R.version$major, ".", R.version$minor) -system_string <- paste0(operating_system, ", ", cpu_model, ", mkin ", mkin_version, ", saemix ", saemix_version, ", R ", R_version) - -benchmark_path = normalizePath("~/git/mkin/vignettes/web_only/saem_benchmarks.rda") -load(benchmark_path) - -# Initialization 14 November 2022 -#saem_benchmarks <- data.frame() - -saem_benchmarks[system_string, c("CPU", "OS", "mkin", "saemix", "R")] <- -  c(cpu_model, operating_system, mkin_version, saemix_version, R_version) - -## ----setup-------------------------------------------------------------------- -n_cores <- parallel::detectCores() - -## ----dimethenamid_data-------------------------------------------------------- -dmta_ds <- lapply(1:7, function(i) { -  ds_i <- dimethenamid_2018$ds[[i]]$data -  ds_i[ds_i$name == "DMTAP", "name"] <-  "DMTA" -  ds_i$time <- ds_i$time * dimethenamid_2018$f_time_norm[i] -  ds_i -}) -names(dmta_ds) <- sapply(dimethenamid_2018$ds, function(ds) ds$title) -dmta_ds[["Elliot"]] <- rbind(dmta_ds[["Elliot 1"]], dmta_ds[["Elliot 2"]]) -dmta_ds[["Elliot 1"]] <- NULL -dmta_ds[["Elliot 2"]] <- NULL - -## ----parent_only-------------------------------------------------------------- -parent_mods <- c("SFO", "DFOP", "SFORB", "HS") -parent_sep_const <- mmkin(parent_mods, dmta_ds, quiet = TRUE, cores = n_cores) -parent_sep_tc <- update(parent_sep_const, error_model = "tc") - -t1 <- system.time(sfo_const <- saem(parent_sep_const["SFO", ]))[["elapsed"]] -t2 <- system.time(dfop_const <- saem(parent_sep_const["DFOP", ]))[["elapsed"]] -t3 <- system.time(sforb_const <- saem(parent_sep_const["SFORB", ]))[["elapsed"]] -t4 <- system.time(hs_const <- saem(parent_sep_const["HS", ]))[["elapsed"]] -t5 <- system.time(sfo_tc <- saem(parent_sep_tc["SFO", ]))[["elapsed"]] -t6 <- system.time(dfop_tc <- saem(parent_sep_tc["DFOP", ]))[["elapsed"]] -t7 <- system.time(sforb_tc <- saem(parent_sep_tc["SFORB", ]))[["elapsed"]] -t8 <- system.time(hs_tc <- saem(parent_sep_tc["HS", ]))[["elapsed"]] - -## ----------------------------------------------------------------------------- -anova( -  sfo_const, dfop_const, sforb_const, hs_const, -  sfo_tc, dfop_tc, sforb_tc, hs_tc) |> kable(, digits = 1) - -## ----------------------------------------------------------------------------- -illparms(dfop_tc) -illparms(sforb_tc) - -## ----one_metabolite, message = FALSE------------------------------------------ -one_met_mods <- list( -  DFOP_SFO = mkinmod( -    DMTA = mkinsub("DFOP", "M23"), -    M23 = mkinsub("SFO")), -  SFORB_SFO = mkinmod( -    DMTA = mkinsub("SFORB", "M23"), -    M23 = mkinsub("SFO"))) - -one_met_sep_const <- mmkin(one_met_mods, dmta_ds, error_model = "const", -  cores = n_cores, quiet = TRUE) -one_met_sep_tc <- mmkin(one_met_mods, dmta_ds, error_model = "tc", -  cores = n_cores, quiet = TRUE) - -t9 <- system.time(dfop_sfo_tc <- saem(one_met_sep_tc["DFOP_SFO", ], -    no_random_effect = "log_k2"))[["elapsed"]] -t10 <- system.time(sforb_sfo_tc <- saem(one_met_sep_tc["SFORB_SFO", ], -    no_random_effect = "log_k_DMTA_bound_free"))[["elapsed"]] - -## ----------------------------------------------------------------------------- -illparms(sforb_sfo_tc) - -## ----three_metabolites, message = FALSE--------------------------------------- -three_met_mods <- list( -  SFORB_SFO3_plus = mkinmod( -    DMTA = mkinsub("SFORB", c("M23", "M27", "M31")), -    M23 = mkinsub("SFO"), -    M27 = mkinsub("SFO"), -    M31 = mkinsub("SFO", "M27", sink = FALSE))) - -three_met_sep_tc <- mmkin(three_met_mods, dmta_ds, error_model = "tc", -  cores = n_cores, quiet = TRUE) - -t11 <- system.time(sforb_sfo3_plus_const <- saem(three_met_sep_tc["SFORB_SFO3_plus", ], -    no_random_effect = "log_k_DMTA_bound_free"))[["elapsed"]] - -## ----results, include = FALSE------------------------------------------------- -saem_benchmarks[system_string, paste0("t", 1:11)] <- -  c(t1, t2, t3, t4, t5, t6, t7, t8, t9, t10, t11) -save(saem_benchmarks, file = benchmark_path) -# Hide rownames from kable for results section -rownames(saem_benchmarks) <- NULL - -## ---- echo = FALSE------------------------------------------------------------ -kable(saem_benchmarks[, c(1:4, 6:9)]) - -## ---- echo = FALSE------------------------------------------------------------ -kable(saem_benchmarks[, c(1:4, 10:13)]) - -## ---- echo = FALSE------------------------------------------------------------ -kable(saem_benchmarks[, c(1:4, 14:15)]) - -## ---- echo = FALSE------------------------------------------------------------ -kable(saem_benchmarks[, c(1:4, 16)]) - diff --git a/vignettes/web_only/saem_benchmarks.html b/vignettes/web_only/saem_benchmarks.html index 42d6f71f..4875bb1b 100644 --- a/vignettes/web_only/saem_benchmarks.html +++ b/vignettes/web_only/saem_benchmarks.html @@ -1781,10 +1781,10 @@ t11 <- system.time(sforb_sfo3_plus_const <- saem(three_met_sep_tc["SF  <td align="left">Linux</td>  <td align="left">1.2.0</td>  <td align="left">3.2</td> -<td align="right">3.025</td> -<td align="right">5.237</td> -<td align="right">5.459</td> -<td align="right">5.218</td> +<td align="right">2.996</td> +<td align="right">5.207</td> +<td align="right">5.317</td> +<td align="right">5.171</td>  </tr>  </tbody>  </table> @@ -1808,10 +1808,10 @@ t11 <- system.time(sforb_sfo3_plus_const <- saem(three_met_sep_tc["SF  <td align="left">Linux</td>  <td align="left">1.2.0</td>  <td align="left">3.2</td> -<td align="right">5.645</td> -<td align="right">7.726</td> -<td align="right">7.952</td> -<td align="right">8.104</td> +<td align="right">5.671</td> +<td align="right">7.696</td> +<td align="right">8.166</td> +<td align="right">8.168</td>  </tr>  </tbody>  </table> @@ -1836,8 +1836,8 @@ t11 <- system.time(sforb_sfo3_plus_const <- saem(three_met_sep_tc["SF  <td align="left">Linux</td>  <td align="left">1.2.0</td>  <td align="left">3.2</td> -<td align="right">24.84</td> -<td align="right">816.153</td> +<td align="right">24.883</td> +<td align="right">818.157</td>  </tr>  </tbody>  </table> @@ -1861,7 +1861,7 @@ t11 <- system.time(sforb_sfo3_plus_const <- saem(three_met_sep_tc["SF  <td align="left">Linux</td>  <td align="left">1.2.0</td>  <td align="left">3.2</td> -<td align="right">1323.128</td> +<td align="right">1355.036</td>  </tr>  </tbody>  </table> diff --git a/vignettes/web_only/saem_benchmarks.rda b/vignettes/web_only/saem_benchmarks.rdaBinary files differ index 1e75b20d..e8b139da 100644 --- a/vignettes/web_only/saem_benchmarks.rda +++ b/vignettes/web_only/saem_benchmarks.rda diff --git a/vignettes/web_only/saem_benchmarks.rmd b/vignettes/web_only/saem_benchmarks.rmd index 116713de..6e51fa66 100644 --- a/vignettes/web_only/saem_benchmarks.rmd +++ b/vignettes/web_only/saem_benchmarks.rmd @@ -164,7 +164,7 @@ t11 <- system.time(sforb_sfo3_plus_const <- saem(three_met_sep_tc["SFORB_SFO3_pl  ```{r results, include = FALSE}  saem_benchmarks[system_string, paste0("t", 1:11)] <-    c(t1, t2, t3, t4, t5, t6, t7, t8, t9, t10, t11) -save(saem_benchmarks, file = benchmark_path) +save(saem_benchmarks, file = benchmark_path, version = 2)  # Hide rownames from kable for results section  rownames(saem_benchmarks) <- NULL  ``` | 
