From 70d158c4dd919f4f77bc12f8ace333d29d249b79 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Fri, 14 Sep 2018 16:57:17 +0200 Subject: Remove two vignettes from the package but not from docs - Rebuild static documentation - Adapt test to new approach to two component error model where the model is inadequate --- vignettes/compiled_models.Rmd | 102 ------------------------------------------ 1 file changed, 102 deletions(-) delete mode 100644 vignettes/compiled_models.Rmd (limited to 'vignettes/compiled_models.Rmd') diff --git a/vignettes/compiled_models.Rmd b/vignettes/compiled_models.Rmd deleted file mode 100644 index b16dfea6..00000000 --- a/vignettes/compiled_models.Rmd +++ /dev/null @@ -1,102 +0,0 @@ ---- -title: "Performance benefit by using compiled model definitions in mkin" -author: "Johannes Ranke" -output: rmarkdown::html_vignette -date: "`r Sys.Date()`" -vignette: > - %\VignetteIndexEntry{Performance benefit by using compiled model definitions in mkin} - %\VignetteEngine{knitr::rmarkdown} - %\VignetteEncoding{UTF-8} ---- - -```{r, include = FALSE} -library(knitr) -opts_chunk$set(tidy = FALSE, cache = FALSE) -``` - -## Model that can also be solved with Eigenvalues - -This evaluation is taken from the example section of mkinfit. When using an mkin version -equal to or greater than 0.9-36 and a C compiler (gcc) is available, you will see -a message that the model is being compiled from autogenerated C code when -defining a model using mkinmod. The `mkinmod()` function checks for presence of -the gcc compiler using - -```{r check_gcc} -Sys.which("gcc") -``` -First, we build a simple degradation model for a parent compound with one metabolite. - -```{r create_SFO_SFO} -library("mkin", quietly = TRUE) -SFO_SFO <- mkinmod( - parent = mkinsub("SFO", "m1"), - m1 = mkinsub("SFO")) -``` - -We can compare the performance of the Eigenvalue based solution against the -compiled version and the R implementation of the differential equations using -the benchmark package. - - -```{r benchmark_SFO_SFO, fig.height = 3} -if (require(rbenchmark)) { - b.1 <- benchmark( - "deSolve, not compiled" = mkinfit(SFO_SFO, FOCUS_2006_D, - solution_type = "deSolve", - use_compiled = FALSE, quiet = TRUE), - "Eigenvalue based" = mkinfit(SFO_SFO, FOCUS_2006_D, - solution_type = "eigen", quiet = TRUE), - "deSolve, compiled" = mkinfit(SFO_SFO, FOCUS_2006_D, - solution_type = "deSolve", quiet = TRUE), - replications = 3) - print(b.1) - factor_SFO_SFO <- round(b.1["1", "relative"]) -} else { - factor_SFO_SFO <- NA - print("R package benchmark is not available") -} -``` - -We see that using the compiled model is by a factor of around -`r factor_SFO_SFO` -faster than using the R version with the default ode solver, and it is even -faster than the Eigenvalue based solution implemented in R which does not need -iterative solution of the ODEs. - - -## Model that can not be solved with Eigenvalues - -This evaluation is also taken from the example section of mkinfit. - -```{r benchmark_FOMC_SFO, fig.height = 3} -if (require(rbenchmark)) { - FOMC_SFO <- mkinmod( - parent = mkinsub("FOMC", "m1"), - m1 = mkinsub( "SFO")) - - b.2 <- benchmark( - "deSolve, not compiled" = mkinfit(FOMC_SFO, FOCUS_2006_D, - use_compiled = FALSE, quiet = TRUE), - "deSolve, compiled" = mkinfit(FOMC_SFO, FOCUS_2006_D, quiet = TRUE), - replications = 3) - print(b.2) - factor_FOMC_SFO <- round(b.2["1", "relative"]) -} else { - factor_FOMC_SFO <- NA - print("R package benchmark is not available") -} -``` - -Here we get a performance benefit of a factor of -`r factor_FOMC_SFO` -using the version of the differential equation model compiled from C code! - -This vignette was built with mkin `r utils::packageVersion("mkin")` on - -```{r sessionInfo, echo = FALSE} -cat(utils::capture.output(utils::sessionInfo())[1:3], sep = "\n") -if(!inherits(try(cpuinfo <- readLines("/proc/cpuinfo")), "try-error")) { - cat(gsub("model name\t: ", "CPU model: ", cpuinfo[grep("model name", cpuinfo)[1]])) -} -``` -- cgit v1.2.1