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author | Johannes Ranke <jranke@uni-bremen.de> | 2017-09-14 12:15:58 +0200 |
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committer | Johannes Ranke <jranke@uni-bremen.de> | 2017-09-14 12:22:12 +0200 |
commit | f59b8a93a9956ac46eac24d294f7a26642b995dc (patch) | |
tree | 4124ed6d8763062d4e1aa097230688728bf159ff /docs/articles/compiled_models.Rmd | |
parent | 14f8f9f9071fcfa5a51ed42ad3408e495b253207 (diff) |
Convert FOCUS Z vignette to rmarkdown/html
- Static documentation rebuilt by pkgdown::build_articles()
- DESCRIPTION: Version bump and current date
Diffstat (limited to 'docs/articles/compiled_models.Rmd')
-rw-r--r-- | docs/articles/compiled_models.Rmd | 107 |
1 files changed, 0 insertions, 107 deletions
diff --git a/docs/articles/compiled_models.Rmd b/docs/articles/compiled_models.Rmd deleted file mode 100644 index 8b5d731a..00000000 --- a/docs/articles/compiled_models.Rmd +++ /dev/null @@ -1,107 +0,0 @@ ---- -title: "Performance benefit by using compiled model definitions in mkin" -author: "Johannes Ranke" -date: "`r Sys.Date()`" -output: - html_document: - theme: united - toc: true - toc_float: true - mathjax: null -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") -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 packageVersion("mkin")` on - -```{r sessionInfo, echo = FALSE} -cat(capture.output(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]])) -} -``` |