aboutsummaryrefslogtreecommitdiff
path: root/vignettes/web_only/saem_benchmarks.R
diff options
context:
space:
mode:
authorJohannes Ranke <jranke@uni-bremen.de>2022-11-15 08:01:52 +0100
committerJohannes Ranke <jranke@uni-bremen.de>2022-11-15 08:01:52 +0100
commit679cf716192cdfd91dfd232578cbd4e30d7eac12 (patch)
tree24dce01d75cd0dce7d2605ec600e0bcc49cf6ef5 /vignettes/web_only/saem_benchmarks.R
parent2b16f6cc5aae9a57362db2add0e3263c65afc7e2 (diff)
Import saemix for easier profiling, update online docs
Diffstat (limited to 'vignettes/web_only/saem_benchmarks.R')
-rw-r--r--vignettes/web_only/saem_benchmarks.R121
1 files changed, 0 insertions, 121 deletions
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)])
-

Contact - Imprint