# test routine --------------------------------------------------------------------- # Simulation with the Algae_TKTD model, compare against reference values # derived from a simulation with this model for R. subcapitata and isoproturon # (i.e., recreating the fig in EFSA Scientific Opinion on TKTD, Fig 32 # doi.org/10.2903/j.efsa.2018.5377, showing the flow through exp. of Weber et # al. 2012) This EFSA example uses the Algae_Weber model, however, to use it for # testing the Algae_TKTD model (where there is no dilution, but there is an # internal scaled damage), the background mortality parameter was set so it # included both the value of background mortality and dilution from Weber's flow # through, additionally, a high KD parameter value was taken to represent high # uptake hence the scaled damage tracks almost instantly the water concentration test_that("Algae_TKTD simulation", { tol <- 1e-5 # Simulate Algae_TKTD for R. subcapitata exposed to isoproturon # sim setup sim_end <- 72 y_0 <- c(A = 1, Q = 0.01, P = 0.36 * 0.5, Dw = 0) times <- seq(from = 0, to = sim_end, by = sim_end / 1000) # parms params <- c(mu_max = 1.7380, m_max = 0.5500, v_max = 0.0520, k_s = 0.0680, Q_min = 0.0011, Q_max = 0.0144, T_opt = 27, T_min = 0, T_max = 35, I_opt = 120, EC_50 = 115, b = 1.268, kD = 100, dose_resp = 0 ) # forcings forc_I <- data.frame(times = sim_end, I = rep(100, sim_end)) forc_T <- data.frame(times = sim_end, T_act = rep(24, sim_end)) forcings <- list(forc_I, forc_T) # exposure weber_exposure <- Rsubcapitata@exposure@series # Create Eff.Scen. Rsubcap_Isopr <- Algae_TKTD() %>% set_param(params) %>% set_exposure(weber_exposure) %>% set_forcings(I = forc_I, T_act = forc_T) %>% set_times(times) # simulate Rsubcap_Isopr %>% simulate() -> out # calc % biomass out <- out %>% dplyr::mutate(perc = A/max(A)*100) # tests for starting values and sim setup expect_equal(out[, "time"], seq(from = 0, to = 72, 72 / 1000)) # simulation duration expect_equal(out[[1, "A"]], 1) # starting biomass value expect_equal(out[[1, "Q"]], 0.01) # starting Q value expect_equal(out[[1, "P"]], 0.18) # starting P value expect_equal(out[[1, "Dw"]], 0) # starting exposure value expect_equal(out[[1, "perc"]], 5.179975e-04, tolerance = tol) # starting %A value # discard burnin to steady state out <- out %>% dplyr::filter(time > 12) # identify largest drop in biomass time and % (timing is derived from "out") drop_time <- out[which(out$A == min(out$A)), "time"] drop_perc <- out[which(out$A == min(out$A)), "perc"] expect_equal(drop_time, 31.104, tolerance = tol) expect_equal(drop_perc, 57.79968, tolerance = tol) # check timing and magnitude of other peaks (timing is based on known values) # first drop expect_equal(out[[225, "time"]], 28.152) expect_equal(out[[225, "perc"]], 59.80685, tolerance = tol) # second drop expect_equal(out[[286, "time"]], 32.544) expect_equal(out[[286, "perc"]], 65.50502, tolerance = tol) # third drop expect_equal(out[[407, "time"]], 41.256) expect_equal(out[[407, "perc"]], 99.91928, tolerance = tol) })