Use new fixed calculation engine

mrustl · mrustl · commit 04a2feb3407a · 2026-02-24T17:51:30.000+01:00
diff --git a/vignettes/workflow_badaussee.Rmd b/vignettes/workflow_badaussee.Rmd
@@ -35,7 +35,7 @@ path_list <- list(
   dir_target_output = "<dir_output>/<dir_target>",
   file_base = "<modelname>.h5",
   file_errors_hdf5 = "Fehlerprotokoll.h5",
-  file_exe = "Regenwasserbewirtschaftung_2026-01-22.exe", #"Regenwasserbewirtschaftung_2025-12-10.exe",
+  file_exe = "Regenwasserbewirtschaftung_2026-02-24.exe", #"Regenwasserbewirtschaftung_2025-12-10.exe",
   file_et = "<modelname>_ET0_2011-2025.csv",
   file_rain = "<modelname>_Zehnminutendaten_Niederschlag_v2_Datensatz_2011-2025.csv",
   file_results_hdf5_element = "Mulde_Rigole.h5",
diff --git a/vignettes/workflow_eisenstadt-2005.Rmd b/vignettes/workflow_eisenstadt-2005.Rmd
@@ -1,5 +1,5 @@
 ---
-title: "Workflow Eisenstadt 2005 (neuer Rechenkern 2026-01-22)"
+title: "Workflow Eisenstadt 2005 (neuer Rechenkern 2026-02-24)"
 output: rmarkdown::html_vignette
 vignette: >
   %\VignetteIndexEntry{Workflow Eisenstadt 2005 (neuer Rechenkern 2026-01-22)}
@@ -25,15 +25,19 @@ is_ghactions <- TRUE
 library(kwb.raindrop)
 
 path_list <- list(
-  root_path = "D:/raindrop/2025-12-19_Raindrop_Daten",
+  root_path = "C:/raindrop/2026-01-22_Raindrop_Daten",
   dir_base = "<root_path>/Optimierungsfall",
+  dir_data = "<dir_base>/data",
   dir_exe = "<root_path>/Berechnungskern",
-  dir_input = "<root_path>/Optimierungsfall/models/eisenstadt-optim/input",
-  dir_output = "<root_path>/Optimierungsfall/models/eisenstadt-optim/output", 
+  modelname = "Eisenstadt_2005",
+  dir_input = "<root_path>/Optimierungsfall/models/<modelname>/input",
+  dir_output = "<root_path>/Optimierungsfall/models/<modelname>/output", 
   dir_target_output = "<dir_output>/<dir_target>",
-  file_base = "Eisenstadt_2005.h5",
+  file_base = "<modelname>.h5",
   file_errors_hdf5 = "Fehlerprotokoll.h5",
-  file_exe = "Regenwasserbewirtschaftung.exe",
+  file_exe = "Regenwasserbewirtschaftung_2026-02-24.exe", #"Regenwasserbewirtschaftung_2025-12-10.exe",
+  file_et = "<modelname>_ET0_2011-2025.csv",
+  file_rain = "<modelname>_Zehnminutendaten_Niederschlag_v2_Datensatz_2011-2025.csv",
   file_results_hdf5_element = "Mulde_Rigole.h5",
   file_results_hdf5_flaeche = "Dach.h5",
   file_results_hdf5_verschaltungen = "<dir_target>_Verschaltungen.h5",
@@ -42,6 +46,8 @@ path_list <- list(
   file_target = "<dir_target>.h5",
   path_base = "<dir_base>/<file_base>",
   path_exe = "<dir_exe>/<file_exe>",
+  path_et = "<dir_data>/<file_et>",
+  path_rain = "<dir_data>/<file_rain>",
   path_errors_hdf5 = "<dir_target_output>/<file_errors_hdf5>",
   path_results_hdf5_element = "<dir_target_output>/<file_results_hdf5_element>",
   path_results_hdf5_flaeche = "<dir_target_output>/<file_results_hdf5_flaeche>",
@@ -148,117 +154,116 @@ htmlwidgets::saveWidget(DT::datatable(param_grid,
 
 
 psi_s_mm <- function(kf_mmh) (3.237 * (kf_mmh/25.4)^(-0.328)) * 25.4
+
+paths <- kwb.utils::resolve(path_list)
 ```
 
 ### Run Model
 
 ```{r run_model, eval =  !is_ghactions}
-debug <- TRUE
-#Number of cores for parallel processing (or: automatic)
-future::plan(future::multisession, workers = parallel::detectCores())
+run_one <- function(i,
+                    timestep_hours,
+                    debug = FALSE,
+                    ...) {
 
-system.time(
-  future.apply::future_lapply(seq_len(nrow(param_grid)), function(i) {
-  
   param_grid_tmp <- param_grid[i, ]
-  
-  paths <- kwb.utils::resolve(path_list, dir_target = param_grid_tmp$scenario_name)
-  
-  fs::dir_create(paths$dir_input, recurse = TRUE)
-  fs::dir_create(paths$dir_output, recurse = TRUE)
-  fs::dir_create(paths$dir_target_output, recurse = TRUE)
-  
-  fs::file_copy(path = paths$path_base, 
-                new_path = paths$path_target_input, 
-                overwrite = TRUE)
-  
-  # "a" = read/write (legt an, falls nicht da); alternativ "r+" = read/write, aber nicht neu anlegen
-  h5 <- hdf5r::H5File$new(paths$path_target_input, mode = "a")
-  
-
-  new_path <- stringr::str_c(normalizePath(fs::path_abs(paths$dir_target_output)), 
-                             "\\")
-
-   # 2) Alle Werte lesen (als named list, Keys = absolute Pfade)
-vals <- kwb.raindrop::h5_read_values(h5)
-
-vals$`//Berechnungsparameter/Ergebnispfad` <- new_path
-vals$`//Berechnungsparameter/R-Plots` <- 0
-vals$`//Berechnungsparameter/Ausgabemodus` <- "Optimierung" # "komplett" "Optimierung"
-vals$`//Berechnungsparameter/Evapotranspiration_aktiv` <- 1
-vals$`//Massnahmenelemente/Dach/Berechnungsparameter/Evapotranspiration_aktiv` <- 1
-vals$`//Massnahmenelemente/Mulde_Rigole/Berechnungsparameter/Evapotranspiration_aktiv` <- 1
-vals$`//Massnahmenelemente/Dach/Allgemein/Flaeche` <- param_grid_tmp$connected_area
-vals$`//Massnahmenelemente/Mulde_Rigole/Allgemein/Flaeche` <- param_grid_tmp$mulde_area
-vals$`//Massnahmenelemente/Mulde_Rigole/Eigenschaften_Oberflaeche/Ueberlaufhoehe` <-  param_grid_tmp$mulde_height
-vals$`//Bodenarten/Bodenfilter/Ks_HydraulicConductivity` <- param_grid_tmp$filter_hydraulicconductivity
-vals$`//Bodenarten/Bodenfilter/Psi_Saugspannung_CapillarySuction` <- psi_s_mm(param_grid_tmp$filter_hydraulicconductivity)
-#vals$`//Massnahmenelemente/Mulde_Rigole/Bodenschichtung/Startwerte_theta_ActualSoilMoisture` <- c(0.3, 0)
-vals$`//Massnahmenelemente/Mulde_Rigole/Bodenschichtung/Schichtdicken` <- c(param_grid_tmp$filter_height,
-                                                                            param_grid_tmp$storage_height)
-vals$`//Massnahmenelemente/Mulde_Rigole/Allgemein/Endversickerungsrate` <- param_grid_tmp$bottom_hydraulicconductivity
-
-# Timeseries (2×N) als tibble?
-if (is.data.frame(vals[["//Kurven/Regen"]])) {
-  vals[["//Kurven/Regen"]]$value <- vals[["//Kurven/Regen"]]$value * param_grid_tmp$rain_factor
-}
 
+  paths <- kwb.utils::resolve(path_list,
+                              dir_target = param_grid_tmp$scenario_name)
+
+      fs::dir_create(paths$dir_input, recurse = TRUE)
+      fs::dir_create(paths$dir_output, recurse = TRUE)
+      fs::dir_create(paths$dir_target_output, recurse = TRUE)
+
+      fs::file_copy(path = paths$path_base,
+                    new_path = paths$path_target_input,
+                    overwrite = TRUE)
+
+      h5 <- hdf5r::H5File$new(paths$path_target_input, mode = "a")
+
+      new_path <- stringr::str_c(normalizePath(fs::path_abs(paths$dir_target_output)),
+                                 "\\")
+
+      vals <- kwb.raindrop::h5_read_values(h5)
+
+      vals$`//Berechnungsparameter/Ergebnispfad` <- new_path
+      vals$`//Berechnungsparameter/Zeitschritt_Infiltration` <- timestep_hours
+      vals$`//Berechnungsparameter/Zeitschritt_ET` <- timestep_hours
+      #vals$`//Berechnungsparameter/Zeitschritt_Verschaltungen` <- timestep_hours
+      vals$`//Berechnungsparameter/R-Plots` <- 0
+      vals$`//Berechnungsparameter/Ausgabemodus` <- "Optimierung"
+      vals$`//Berechnungsparameter/Evapotranspiration_aktiv` <- 1
+      
+      vals$`//Massnahmenelemente/Dach/Berechnungsparameter/Evapotranspiration_aktiv` <- 1
+      vals$`//Massnahmenelemente/Dach/Allgemein/Flaeche` <- param_grid_tmp$connected_area
+      
+      vals$`//Massnahmenelemente/Mulde_Rigole/Berechnungsparameter/Evapotranspiration_aktiv` <- 1
+      vals$`//Massnahmenelemente/Mulde_Rigole/Allgemein/Regen-Skalierungsfaktor` <- 1
+      vals$`//Massnahmenelemente/Mulde_Rigole/Allgemein/Flaeche` <- param_grid_tmp$mulde_area
+      vals$`//Massnahmenelemente/Mulde_Rigole/Eigenschaften_Oberflaeche/Ueberlaufhoehe` <- param_grid_tmp$mulde_height
+      vals$`//Massnahmenelemente/Mulde_Rigole/Bodenschichtung/Startwerte_theta_ActualSoilMoisture` <- c(0.3, 0)
+      vals$`//Massnahmenelemente/Mulde_Rigole/Bodenschichtung/Schichtdicken` <- c(param_grid_tmp$filter_height,
+                                                                                 param_grid_tmp$storage_height)
+      vals$`//Massnahmenelemente/Mulde_Rigole/Allgemein/Endversickerungsrate` <- param_grid_tmp$bottom_hydraulicconductivity
+      
+      vals$`//Bodenarten/Bodenfilter/Ks_HydraulicConductivity` <- param_grid_tmp$filter_hydraulicconductivity
+      vals$`//Bodenarten/Bodenfilter/Psi_Saugspannung_CapillarySuction` <- psi_s_mm(param_grid_tmp$filter_hydraulicconductivity)
+
+      kwb.raindrop::h5_write_values(h5, vals, resize = TRUE,
+                                   scalar_strategy = "error",
+                                   verbose = FALSE)
+      h5$close_all()
+
+      kwb.raindrop::run_model(path_exe = paths$path_exe,
+                              path_input = paths$path_target_input,
+                              debug = debug)
+
+      invisible(NULL)
+}
 
-kwb.raindrop::h5_write_values(h5, vals, resize = TRUE, scalar_strategy = "error", verbose = FALSE)
-h5$close_all()
-  
-  kwb.raindrop::run_model(path_exe = paths$path_exe,
-                          path_input = paths$path_target_input)
-})
+n_cores <- parallel::detectCores()
+
+system.time(expr = {
+kwb.raindrop::run_scenarios(indices = seq_len(nrow(param_grid)),
+                            run_one_scenario = run_one,
+                            timestep_hours = 0.1,
+                            debug = FALSE,
+                            parallel = TRUE,
+                            workers = n_cores,
+                            show_progress = TRUE
+                            )
+}
 )
 
-
 ### Read results for first run
-
-paths <- kwb.utils::resolve(path_list, dir_target = sprintf("s%05d", i = 1))
+if(FALSE) {
+paths <- kwb.utils::resolve(path_list, 
+                            dir_target = sprintf("s%05d", i = 1))
 
 #simulation_names <- basename(fs::dir_ls(paths$dir_output))
 simulation_names <- scenarios_with_single_parameter_variation
-simulation_names <- param_grid$scenario_name
-
-debug <- TRUE
-errors_df <- lapply(simulation_names, function(s_name) {
-  
-  s_id <- s_name %>% stringr::str_remove("s") %>%  as.integer()
-  paths <- kwb.utils::resolve(path_list, dir_target = s_name)
-  
-  if(fs::file_exists(paths$path_errors_hdf5)) {
-    kwb.utils::catAndRun(messageText = sprintf("Reading error file '%s'",
-                                               paths$path_errors_hdf5),
-                         expr = {
-    error_hdf <- hdf5r::H5File$new(paths$path_errors_hdf5, mode = "r")
-    
-    tibble::tibble(id = s_id, 
-                   path = paths$path_errors_hdf5,
-                   number_of_errors = error_hdf[["AnzahlFehler"]]$read()
-    )
-                         },
-    dbg = debug)
-  }
-}) %>% 
-  dplyr::bind_rows()
+simulation_names <- param_grid$scenario_nam
+simulation_names <- simulation_names[1:8]
+
+debug <- TRUEn_cores
+errors_df <- kwb.raindrop::read_raindrop_errors(simulation_names, path_list)
+x <- tidyr::unnest(errors_df, errors) 
+x$Fehlerbeschreibung
+}
+
 ```
 
 ### Analyse Results
 
 ```{r analyse_results, eval = !is_ghactions}
-paths <- kwb.utils::resolve(path_list, dir_target = sprintf("s%05d", i = 1))
-
-#simulation_names <- basename(fs::dir_ls(paths$dir_output))
-simulation_names <- param_grid$scenario_name
-
 system.time(
-simulation_results <- kwb.raindrop::get_simulation_results_optim(paths = paths, 
-                                                                 path_list = path_list,
-                                                                 simulation_names = simulation_names)
+simulation_results <- kwb.raindrop::get_simulation_results_optim_parallel(
+  paths = paths, 
+  path_list = path_list,
+  simulation_names = param_grid$scenario_name,
+  debug = FALSE)
 )
 
-
 system.time(
 simulation_results_optimisation <- kwb.raindrop::add_overflow_events_and_waterbalance(
   simulation_results = simulation_results,
@@ -271,13 +276,17 @@ simulation_results_optimisation <- param_grid %>%
                    by = c("scenario_name" = "s_name")) %>% 
   dplyr::relocate(scenario_name, .before = connected_area)
 
-readr::write_csv(simulation_results_optimisation, file = "simulation_results_optimisation.csv")
+readr::write_csv(simulation_results_optimisation, 
+                 file = sprintf("simulation_results_optimisation_%s.csv",
+                                paths$modelname)
+                 )
 
 htmlwidgets::saveWidget(DT::datatable(simulation_results_optimisation,
                                       filter = "top",
                                       options = list(pageLength = 25, 
                                                      autoWidth = TRUE)), 
-                        "simulation_results_optimisation.html",
+                        file = sprintf("simulation_results_optimisation_%s.html",
+                                       paths$modelname),
                         title = "RAINDROP - Solution Space")
 
 ### Plot results
@@ -294,7 +303,8 @@ params <- c(
   #"rain_factor"
 )
 
-pdff <- "simulation_results_optimisation_main-effects.pdf"
+pdff <- sprintf("simulation_results_optimisation_%s_main-effects.pdf",
+                paths$modelname)
 
 gg <- kwb.raindrop::plot_main_effects(
   df = simulation_results_optimisation,
@@ -313,14 +323,16 @@ plotly_gg <- plotly::ggplotly(gg)
 
 htmlwidgets::saveWidget(
   widget = plotly_gg,
-  file = "simulation_results_optimisation_main-effects.html",
+  file = sprintf("simulation_results_optimisation_%s_main-effects.html",
+                 paths$modelname),
   selfcontained = TRUE,
   title = "RAINDROP - Main Effects"
 )
 
 
 
-pdff <- "simulation_results_optimisation_design-space_mulde-area_vs_parameters.pdf"
+pdff <- sprintf("simulation_results_optimisation_%s_design-space_mulde-area_vs_parameters.pdf",
+                paths$modelname)
 kwb.utils::preparePdf(pdfFile = pdff)
 
 for (y in c("mulde_height", "filter_hydraulicconductivity", "storage_height")) {
@@ -343,7 +355,9 @@ for (y in c("mulde_height", "filter_hydraulicconductivity", "storage_height")) {
   plotly_p <- suppressWarnings(plotly::ggplotly(p, tooltip = "text"))
   htmlwidgets::saveWidget(
     widget = plotly_p,
-    file = sprintf("simulation_results_optimisation_design-space_mulde-area_vs_%s.html", y),
+    file = sprintf("simulation_results_optimisation_%s_design-space_mulde-area_vs_%s.html", 
+                   paths$modelname,
+                   y),
     selfcontained = TRUE,
     title = sprintf("Design Space: mulde_area vs. %s", y)
   )
@@ -354,7 +368,8 @@ for (y in c("mulde_height", "filter_hydraulicconductivity", "storage_height")) {
 dev.off()
 #kwb.utils::finishAndShowPdf(pdff)
 
-pdff <- "simulation_results_optimisation_water-balance.pdf"
+pdff <- sprintf("simulation_results_optimisation_%s_water-balance.pdf",
+                paths$modelname)
 kwb.utils::preparePdf(pdfFile = pdff)
 
 p <- kwb.raindrop::plot_wb_tradeoff_overflows(
@@ -368,7 +383,8 @@ p <- kwb.raindrop::plot_wb_tradeoff_overflows(
   plotly_p <- suppressWarnings(plotly::ggplotly(p, tooltip = "text"))
   htmlwidgets::saveWidget(
     widget = plotly_p,
-    file = "simulation_results_optimisation_water-balance.html",
+    file = sprintf("simulation_results_optimisation_%s_water-balance.html",
+                   paths$modelname),
     selfcontained = TRUE,
     title = "Water balance vs overflows"
   )
diff --git a/vignettes/workflow_wien.Rmd b/vignettes/workflow_wien.Rmd
@@ -35,7 +35,7 @@ path_list <- list(
   dir_target_output = "<dir_output>/<dir_target>",
   file_base = "<modelname>.h5",
   file_errors_hdf5 = "Fehlerprotokoll.h5",
-  file_exe = "Regenwasserbewirtschaftung_2026-01-22.exe", #"Regenwasserbewirtschaftung_2025-12-10.exe",
+  file_exe = "Regenwasserbewirtschaftung_2026-02-24.exe", #"Regenwasserbewirtschaftung_2025-12-10.exe",
   file_et = "<modelname>_ET0_2011-2025.csv",
   file_rain = "<modelname>_Zehnminutendaten_Niederschlag_v2_Datensatz_2011-2025.csv",
   file_results_hdf5_element = "Mulde_Rigole.h5",
