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a/tests/configs/full_gas_phase_mechanism_config/evolving_conditions.csv b/tests/configs/full_gas_phase_mechanism_config/evolving_conditions.csv new file mode 100644 index 00000000..d3f5a12f --- /dev/null +++ b/tests/configs/full_gas_phase_mechanism_config/evolving_conditions.csv @@ -0,0 +1 @@ + diff --git a/tests/configs/full_gas_phase_mechanism_config/initial_conditions.csv b/tests/configs/full_gas_phase_mechanism_config/initial_conditions.csv new file mode 100644 index 00000000..26479c66 --- /dev/null +++ b/tests/configs/full_gas_phase_mechanism_config/initial_conditions.csv @@ -0,0 +1,2 @@ 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diff --git a/tests/test_analytical.py b/tests/test_analytical.py index f5e24dde..fcb62569 100644 --- a/tests/test_analytical.py +++ b/tests/test_analytical.py @@ -1,4 +1,3 @@ - from acom_music_box import MusicBox import math @@ -8,33 +7,32 @@ class TestAnalytical: def test_run(self): box_model = MusicBox() - #configures box model + # configures box model conditions_path = "configs/analytical_config/my_config.json" camp_path = "configs/analytical_config/camp_data" # conditions_path = "./src/configs/UI_test/UI_test_config.json" # camp_path = "./src/configs/UI_test/camp_data" - + box_model.readConditionsFromJson(conditions_path) box_model.create_solver(camp_path) - - #solves and saves output + # solves and saves output output = box_model.solve() - conc_a_index = output[0].index('CONC.A') - conc_b_index = output[0].index('CONC.B') - conc_c_index = output[0].index('CONC.C') - - #extracts model concentrations from data output - model_concentrations = [[row[conc_a_index], row[conc_b_index], row[conc_c_index]] for row in output[1:]] + conc_a_index = output[0].index("CONC.A") + conc_b_index = output[0].index("CONC.B") + conc_c_index = output[0].index("CONC.C") + # extracts model concentrations from data output + model_concentrations = [ + [row[conc_a_index], row[conc_b_index], row[conc_c_index]] + for row in output[1:] + ] - - - #initalizes concentrations + # initalizes concentrations analytical_concentrations = [] - analytical_concentrations.append([1,0,0]) + analytical_concentrations.append([1, 0, 0]) time_step = box_model.box_model_options.chem_step_time sim_length = box_model.box_model_options.simulation_length @@ -43,35 +41,57 @@ def test_run(self): pressure = box_model.initial_conditions.pressure k1 = 4.0e-3 * math.exp(50 / temperature) - k2 = 1.2e-4 * math.exp(75 / temperature) * (temperature / 50)**7* (1.0 + 0.5 * pressure) - + k2 = ( + 1.2e-4 + * math.exp(75 / temperature) + * (temperature / 50) ** 7 + * (1.0 + 0.5 * pressure) + ) - curr_time = time_step idx_A = 0 idx_B = 1 idx_C = 2 - #gets analytical concentrations + # gets analytical concentrations while curr_time <= sim_length: initial_A = analytical_concentrations[0][idx_A] - A_conc = initial_A * math.exp(-(k1)* curr_time) - B_conc = initial_A * (k1 / (k2 - k1)) * (math.exp(-k1 * curr_time) - math.exp(-k2 * curr_time)) - C_conc = initial_A * (1.0 + (k1 * math.exp(-k2 * curr_time) - k2 * math.exp(-k1 * curr_time)) / (k2 - k1)) + A_conc = initial_A * math.exp(-(k1) * curr_time) + B_conc = ( + initial_A + * (k1 / (k2 - k1)) + * (math.exp(-k1 * curr_time) - math.exp(-k2 * curr_time)) + ) + C_conc = initial_A * ( + 1.0 + + (k1 * math.exp(-k2 * curr_time) - k2 * math.exp(-k1 * curr_time)) + / (k2 - k1) + ) analytical_concentrations.append([A_conc, B_conc, C_conc]) curr_time += time_step - #asserts concentrations + # asserts concentrations for i in range(len(model_concentrations)): - assert math.isclose(model_concentrations[i][idx_A], analytical_concentrations[i][idx_A], rel_tol=1e-8), f"Arrays differ at index ({i}, 0)" - assert math.isclose(model_concentrations[i][idx_B], analytical_concentrations[i][idx_B], rel_tol=1e-8), f"Arrays differ at index ({i}, 1)" - assert math.isclose(model_concentrations[i][idx_C], analytical_concentrations[i][idx_C], rel_tol=1e-8), f"Arrays differ at index ({i}, 2)" - + assert math.isclose( + model_concentrations[i][idx_A], + analytical_concentrations[i][idx_A], + rel_tol=1e-8, + ), f"Arrays differ at index ({i}, 0)" + assert math.isclose( + model_concentrations[i][idx_B], + analytical_concentrations[i][idx_B], + rel_tol=1e-8, + ), f"Arrays differ at index ({i}, 1)" + assert math.isclose( + model_concentrations[i][idx_C], + analytical_concentrations[i][idx_C], + rel_tol=1e-8, + ), f"Arrays differ at index ({i}, 2)" if __name__ == "__main__": test = TestAnalytical() - test.test_run() \ No newline at end of file + test.test_run() diff --git a/tests/test_chapman.py b/tests/test_chapman.py index 63ea7c58..0883ee6d 100644 --- a/tests/test_chapman.py +++ b/tests/test_chapman.py @@ -2,11 +2,12 @@ import csv import math + class TestChapman: def test_run(self): box_model = MusicBox() - #configures box model + # configures box model conditions_path = "configs/chapman_config/my_config.json" camp_path = "configs/chapman_config/camp_data" @@ -14,30 +15,46 @@ def test_run(self): box_model.create_solver(camp_path) - #solves and saves output + # solves and saves output model_output = box_model.solve() - #read chapman_test.csv into test_output - with open('expected_results/chapman_test.csv', 'r') as file: + # read chapman_test.csv into test_output + with open("expected_results/chapman_test.csv", "r") as file: reader = csv.reader(file) test_output = list(reader) - - concs_to_test = ['CONC.H2O', 'CONC.Ar', 'CONC.CO2', 'CONC.O1D', 'CONC.O2', 'CONC.O3', 'CONC.O'] + concs_to_test = [ + "CONC.H2O", + "CONC.Ar", + "CONC.CO2", + "CONC.O1D", + "CONC.O2", + "CONC.O3", + "CONC.O", + ] model_output_header = model_output[0] test_output_header = test_output[0] output_indices = [model_output_header.index(conc) for conc in concs_to_test] test_output_indices = [test_output_header.index(conc) for conc in concs_to_test] - model_output_concs = [[row[i] for i in output_indices] for row in model_output[1:]] - test_output_concs = [[row[i] for i in test_output_indices] for row in test_output[1:]] + model_output_concs = [ + [row[i] for i in output_indices] for row in model_output[1:] + ] + test_output_concs = [ + [row[i] for i in test_output_indices] for row in test_output[1:] + ] - #asserts concentrations + # asserts concentrations for i in range(len(model_output_concs)): for j in range(len(model_output_concs[i])): - assert math.isclose(float(model_output_concs[i][j]), float(test_output_concs[i][j]), rel_tol=1e-8), f"Arrays differ at index ({i}, {j}) for " - + assert math.isclose( + float(model_output_concs[i][j]), + float(test_output_concs[i][j]), + rel_tol=1e-8, + ), f"Arrays differ at index ({i}, {j}) for " + + if __name__ == "__main__": test = TestChapman() - test.test_run() \ No newline at end of file + test.test_run() diff --git a/tests/test_full_gas_phase_mechanism.py b/tests/test_full_gas_phase_mechanism.py new file mode 100644 index 00000000..b2f9fdf6 --- /dev/null +++ b/tests/test_full_gas_phase_mechanism.py @@ -0,0 +1,118 @@ +from acom_music_box import MusicBox + +import csv +import math + + +class TestFullGassPhaseMechanism: + def test_run(self): + box_model = MusicBox() + + # configures box model + conditions_path = "configs/full_gas_phase_mechanism_config/my_config.json" + camp_path = "configs/full_gas_phase_mechanism_config/camp_data" + + box_model.readConditionsFromJson(conditions_path) + box_model.create_solver(camp_path) + + # solves and saves output + model_output = box_model.solve() + + # read wall_loss_test.csv into test_output + with open("expected_results/full_gas_phase_mechanism.csv", "r") as file: + reader = csv.reader(file) + test_output = list(reader) + + concs_to_test = [ + "CONC.PAN", + "CONC.SO2", + "CONC.H2", + "CONC.BENZRO2", + "CONC.CH4", + "CONC.TOL", + "CONC.FACD", + "CONC.PANX", + "CONC.PNA", + "CONC.HONO", + "CONC.PACD", + "CONC.XYLRO2", + "CONC.TOLRO2", + "CONC.ETHA", + "CONC.AACD", + "CONC.N2O5", + "CONC.SESQ", + "CONC.ETOH", + "CONC.O2", + "CONC.XYL", + "CONC.TO2", + "CONC.FMCL", + "CONC.MEPX", + "CONC.ROOH", + "CONC.H2O2", + "CONC.HCL", + "CONC.CLO", + "CONC.MEOH", + "CONC.CRO", + "CONC.MGLY", + "CONC.HCO3", + "CONC.O1D", + "CONC.ROR", + "CONC.HNO3", + "CONC.OPEN", + "CONC.TERP", + "CONC.CO", + "CONC.ETH", + "CONC.CRES", + "CONC.XO2N", + "CONC.IOLE", + "CONC.H2O", + "CONC.ISPD", + "CONC.NTR", + "CONC.OLE", + "CONC.MEO2", + "CONC.PAR", + "CONC.ISOP", + "CONC.ALDX", + "CONC.C2O3", + "CONC.CXO3", + "CONC.ALD2", + "CONC.FORM", + "CONC.XO2", + "CONC.CL", + "CONC.O", + "CONC.O3", + "CONC.NO2", + "CONC.NO3", + "CONC.HO2", + "CONC.NO", + "CONC.M", + "CONC.SULF", + "CONC.HOCL", + "CONC.OH", + ] + model_output_header = model_output[0] + test_output_header = test_output[0] + + output_indices = [model_output_header.index(conc) for conc in concs_to_test] + test_output_indices = [test_output_header.index(conc) for conc in concs_to_test] + + model_output_concs = [ + [row[i] for i in output_indices] for row in model_output[1:] + ] + test_output_concs = [ + [row[i] for i in test_output_indices] for row in test_output[1:] + ] + + # asserts concentrations + for i in range(len(model_output_concs)): + for j in range(len(model_output_concs[i])): + assert math.isclose( + float(model_output_concs[i][j]), + float(test_output_concs[i][j]), + rel_tol=1e-8, + ), f"Arrays differ at index ({i}, {j}) for " + + +if __name__ == "__main__": + test = TestFullGassPhaseMechanism() + test.test_run() diff --git a/tests/test_wall_loss.py b/tests/test_wall_loss.py index 4c2d7322..b96c4ad7 100644 --- a/tests/test_wall_loss.py +++ b/tests/test_wall_loss.py @@ -3,42 +3,50 @@ import csv import math + class TestWallLoss: def test_run(self): box_model = MusicBox() - #configures box model + # configures box model conditions_path = "configs/wall_loss_config/my_config.json" camp_path = "configs/wall_loss_config/camp_data" box_model.readConditionsFromJson(conditions_path) box_model.create_solver(camp_path) - #solves and saves output + # solves and saves output model_output = box_model.solve() - #read wall_loss_test.csv into test_output - with open('expected_results/wall_loss_test.csv', 'r') as file: + # read wall_loss_test.csv into test_output + with open("expected_results/wall_loss_test.csv", "r") as file: reader = csv.reader(file) test_output = list(reader) - - concs_to_test = ['CONC.SOA1', 'CONC.SOA2', 'CONC.a-pinene', 'CONC.O3'] + concs_to_test = ["CONC.SOA1", "CONC.SOA2", "CONC.a-pinene", "CONC.O3"] model_output_header = model_output[0] test_output_header = test_output[0] output_indices = [model_output_header.index(conc) for conc in concs_to_test] test_output_indices = [test_output_header.index(conc) for conc in concs_to_test] - model_output_concs = [[row[i] for i in output_indices] for row in model_output[1:]] - test_output_concs = [[row[i] for i in test_output_indices] for row in test_output[1:]] + model_output_concs = [ + [row[i] for i in output_indices] for row in model_output[1:] + ] + test_output_concs = [ + [row[i] for i in test_output_indices] for row in test_output[1:] + ] - #asserts concentrations + # asserts concentrations for i in range(len(model_output_concs)): for j in range(len(model_output_concs[i])): - assert math.isclose(float(model_output_concs[i][j]), float(test_output_concs[i][j]), rel_tol=1e-8), f"Arrays differ at index ({i}, {j}) for " - + assert math.isclose( + float(model_output_concs[i][j]), + float(test_output_concs[i][j]), + rel_tol=1e-8, + ), f"Arrays differ at index ({i}, {j}) for " + if __name__ == "__main__": test = TestWallLoss() - test.test_run() \ No newline at end of file + test.test_run()