numer_of_iterations = 2 cti_file = 'masten_paper_gri_thermo.cti' working_directory = 'MSI/data/automating_HO2_masten' reaction_uncertainty_csv = 'reaction_uncertainty_masten.csv' #rate_constant_target_value_data = 'burke_target_value_single_reactions.csv' #rate_constant_target_value_data = 'target_reactions_test.csv' rate_constant_target_value_data = '' #this would be an empty string '' if you do not want to include it run_with_k_target_values = 'Off' #this could be 'On' rate_constant_target_value_data_for_plotting = 'target_reactions_test.csv' MSI_st_instance_one = stMSI.MSI_shocktube_optimization( cti_file, .01, 1, 1, working_directory, files_to_include, reaction_uncertainty_csv, rate_constant_target_value_data) MSI_st_instance_one.one_run_shock_tube_optimization() S_matrix_original = MSI_st_instance_one.S_matrix exp_dict_list_original = MSI_st_instance_one.experiment_dictonaries original_covariance = MSI_st_instance_one.covarience X_one_itteration = MSI_st_instance_one.X MSI_st_instance_one.deltaXAsNsEas #need to fix this and return _s_matrix and y_matrix MSI_st_instance_two = stMSI.MSI_shocktube_optimization( cti_file, .01, 1, 1, working_directory, files_to_include, reaction_uncertainty_csv, rate_constant_target_value_data) #
import sys sys.path.append( '.' ) #get rid of this at some point with central test script or when package is built import MSI.simulations.instruments.shock_tube as st import MSI.cti_core.cti_processor as pr import MSI.optimization.matrix_loader as ml import MSI.optimization.opt_runner as opt import MSI.simulations.absorbance.curve_superimpose as csp import MSI.simulations.yaml_parser as yp import MSI.optimization.shock_tube_optimization_shell as stMSI import cantera as ct MSI_st_instance = stMSI.MSI_shocktube_optimization( 'FFCM1.cti', .01, 1, 1, 'MSI/data/test_data', [['Hong_4.yaml', 'Hong_4_abs.yaml'], ['Hong_1.yaml'], ['Troe_6.yaml', 'Troe_6_abs.yaml']], 'uncertainty_test.csv', 'FFCM1_target_values.csv') MSI_st_instance.one_run_shock_tube_optimization() X = MSI_st_instance.X
import numpy as np #burke_target_value_test.csv files_to_include = [['Hong_1.yaml']] numer_of_iterations = 3 cti_file = 'chem_original_burke.cti' working_directory = 'MSI/data/test_data' reaction_uncertainty_csv = 'burke_uncertainty_test.csv' rate_constant_target_value_data = '' #this would be an empty string '' if you do not want to include it #this could be 'On' MSI_st_instance_one = stMSI.MSI_shocktube_optimization( cti_file, .01, 1, 1, working_directory, files_to_include, reaction_uncertainty_csv, '') MSI_st_instance_one.one_run_shock_tube_optimization() S_matrix_original = MSI_st_instance_one.S_matrix exp_dict_list_original = MSI_st_instance_one.experiment_dictonaries X_one_itteration = MSI_st_instance_one.X experimental_dict_uncertainty_original = MSI_st_instance_one.experiment_dict_uncertainty_original Y_matrix_original = MSI_st_instance_one.Y_matrix OH = exp_dict_list_original[0]['simulation'].timeHistories[0]['OH'] time = exp_dict_list_original[0]['simulation'].timeHistories[0]['time'] Sij_list = [] Y_difference_list = [] S_new_list = [] S_percent_difference_list = []
file_list,folder_list = testing_class_instance.get_files_in_working_directory() sigma_original_list = [] sigma_optimized_list = [] Y_comarison_list = [] for i,files in enumerate(file_list): yaml_file,cti_file,reaction_uncertainty_file,absorption_yaml_file = testing_class_instance.sorting_files(files) print(yaml_file,absorption_yaml_file) if absorption_yaml_file == None: MSI_st_instance_one = stMSI.MSI_shocktube_optimization(cti_file, .01, 1, 1, macroscopic_test_data_directory+'/'+folder_list[i], [[yaml_file]], reaction_uncertainty_file,'' ) MSI_st_instance_one.one_run_shock_tube_optimization() else: MSI_st_instance_one = stMSI.MSI_shocktube_optimization(cti_file, .01, 1, 1, macroscopic_test_data_directory+'/'+folder_list[i], [[yaml_file,absorption_yaml_file]], reaction_uncertainty_file,'' ) MSI_st_instance_one.one_run_shock_tube_optimization()