context("Task Parameter Estimation") loadExamples(4) setParameterEstimationSettings(update_model = FALSE, method = "LevenbergMarquardt") test_that("runParameterEstimation()", { PE <- runParameterEstimation() expect_length(PE, 13) expect_is(PE$settings, "list") expect_is(PE$main, "list") expect_gt(PE$main$objective_value, 0) expect_gt(PE$main$root_mean_square, 0) expect_gt(PE$main$standard_deviation, 0) expect_gte(PE$main$validation_objective_value, 0) expect_identical(PE$main$validation_root_mean_square, NaN) expect_identical(PE$main$validation_standard_deviation, NaN) expect_gt(PE$main$function_evaluations, 0) expect_gt(PE$main$cpu_time_s, 0) expect_gt(PE$main$evaluations_second_1_s, 0) param_count <- 3L expect_length(PE$parameters, 8) expect_equal(nrow(PE$parameters), param_count) expect_length(PE$experiments, 5) expect_equal(nrow(PE$experiments), 1L) expect_length(PE$fitted_values, 5) expect_equal(nrow(PE$fitted_values), 2L) expect_equal(ncol(PE$correlation), param_count) expect_equal(nrow(PE$correlation), param_count) expect_equal(ncol(PE$fim), param_count) expect_equal(nrow(PE$fim), param_count) expect_equal(ncol(PE$fim_eigenvalues), 1L) expect_equal(nrow(PE$fim_eigenvalues), param_count) expect_equal(ncol(PE$fim_eigenvectors), param_count) expect_equal(nrow(PE$fim_eigenvectors), param_count) expect_equal(ncol(PE$fim_scaled), param_count) expect_equal(nrow(PE$fim_scaled), param_count) expect_equal(ncol(PE$fim_scaled_eigenvalues), 1L) expect_equal(nrow(PE$fim_scaled_eigenvalues), param_count) expect_equal(ncol(PE$fim_scaled_eigenvectors), param_count) expect_equal(nrow(PE$fim_scaled_eigenvectors), param_count) expect_is(PE$protocol, "character") }) test_that("ParameterEstimation parameter start value is valid", { PE <- runParameterEstimation(update_model = FALSE) expect_equal(PE$parameters$start_value, c(1.00, 0.25, 0.10)) PE2 <- runParameterEstimation(update_model = TRUE) expect_identical(PE$parameters, PE2$parameters) expect_identical(PE$experiments, PE2$experiments) }) unloadAllModels() loadExamples(4) setParameterEstimationSettings(update_model = FALSE, method = "LevenbergMarquardt") test_that("ParameterEstimation Experimental Data", { # ts with 2 experiments and some NA data ts <- list( tibble::tibble( time = c(0L, 1L, 2L, 3L), a = c(0, 9, 15, 18), b = c(0, 1, NA, 12), c = NA, d = c(23456, 1235321456.2165, 131854, NA), e = NA_real_, f = 1 ), tibble::tibble( time = c(0L, 1L, 2L, 3L), a = c(0, NaN, 15, 18), b = c(0, 1, 5, 12), f = 2 ) ) exp_path <- tempfile(fileext = ".txt") exp <- defineExperiments( experiment_type = "time_course", data = ts, types = c("time", "dependent", "dependent", "dependent", "ignore", "ignore", "independent"), mappings = c(NA, "{[A]}", "{[B]}", compartment_strict("compartment", reference = "Volume"), NA, NA, compartment_strict("compartment", reference = "InitialVolume")), filename = exp_path ) clearExperiments() addExperiments(exp) # read in the data to confirm that NaN didnt fall back to NA ts_merged <- vctrs::vec_rbind(!!!ts) ts_readin <- tibble::as_tibble(utils::read.table(exp_path, header = TRUE, sep = "\t", colClasses = purrr::map_chr(ts_merged, typeof))) expect_identical(ts_merged, ts_readin) PE <- runParameterEstimation() expect_equal(nrow(PE$parameters), 3L) expect_equal(nrow(PE$experiments), 2L) expect_equal(nrow(PE$fitted_values), 3L) clearExperiments() file.remove(exp_path) }) test_that("setOptimizationSettings() method", { expect_error(setParameterEstimationSettings(method = "...")) setParameterEstimationSettings(method = list()) expect_error(setParameterEstimationSettings(method = list("."))) }) unloadAllModels() clearCustomKineticFunctions()