species_dict = pickle.load(f) with open(filename + '_equations.pickle', 'rb') as f: equations = pickle.load(f) print("Ready to run simulation") #pdb.set_trace() # Now load the numpy arrays generated in the parsing script for use in the simulations. Again, these are named to # match this particular code. However the ordering is not important. RO2_indices = numpy.load(filename + '_RO2_indices.npy') #------------------------------------------------------------------------------------- # Define initial concentrations, in pbb, of species using names from KPP file species_initial_conc = dict() species_initial_conc['O3'] = 18.0 species_initial_conc['APINENE'] = 30.0 # Save this information to a dictionary to pass to ODE solver input_dict = dict() input_dict['species_dict'] = species_dict input_dict['species_dict2array'] = species_dict2array input_dict['species_initial_conc'] = species_initial_conc input_dict['equations'] = equations #Do you want to save the output from the simulation as a .npy file? save_output = True #------------------------------------------------------------------------------------- #3) Run the simulation run_simulation(filename, start_time, save_output, temp, RH, RO2_indices, H2O, input_dict, simulation_time, batch_step) #-------------------------------------------------------------------------------------
input_dict['R_gas_other'] = R_gas_other input_dict['cp'] = cp input_dict['sigma'] = sigma input_dict['NA'] = NA input_dict['kb'] = kb input_dict['Lv_water_vapour'] = Lv_water_vapour input_dict['ignore_index'] = ignore_index input_dict['ignore_index_fortran'] = ignore_index_fortran input_dict['ycore_asnumpy'] = numpy.array(y_core) input_dict['core_density_array_asnumpy'] = numpy.array(core_density_array) input_dict['y_cond_initial'] = y_cond input_dict['num_bins'] = num_bins input_dict['core_molw_asnumpy'] = numpy.array(core_mw) input_dict['core_dissociation'] = core_dissociation input_dict['N_perbin'] = N_perbin input_dict['include_index'] = include_index RO2_indices = numpy.load(filename + '_RO2_indices.npy') #pdb.set_trace() #Do you want to save the output from the simulation as a .npy file? save_output = True plot_mass = True #------------------------------------------------------------------------------------- # 11) Run the simulation run_simulation(filename, save_output, start_time, temp, RH, RO2_indices, H2O, PInit, y_cond, input_dict, simulation_time, batch_step, plot_mass) #-------------------------------------------------------------------------------------