Exemplo n.º 1
0
    def master_equation_s_matrix_building(self, loop_counter=0):
        #stub
        master_equation_cheby_instance = mecheb.Master_Equation(
            T_min=self.T_min,
            T_max=self.T_max,
            P_min=self.P_min,
            P_max=self.P_max)
        self.master_equation_cheby_instance = master_equation_cheby_instance

        mapped_to_alpha_full_simulation, nested_list = master_equation_cheby_instance.map_to_alpha(
            self.chebyshev_sensitivities, self.experiment_dictonaries,
            self.list_of_parsed_yamls, self.master_equation_reactions)
        self.mapped_to_alpha_full_simulation = mapped_to_alpha_full_simulation
        MP_for_S_matrix, new_sens_dict, broken_up_by_reaction, tottal_dict, tester = master_equation_cheby_instance.map_parameters_to_s_matrix(
            self.mapped_to_alpha_full_simulation, self.chebyshev_sensitivities,
            self.master_equation_reactions)

        new_S_matrix_for_MP = master_equation_cheby_instance.combine_multiple_channels(
            MP_for_S_matrix, self.chebyshev_sensitivities,
            self.master_equation_reactions)

        self.MP_for_S_matrix = new_S_matrix_for_MP
        self.new_sens_dict = new_sens_dict
        self.broken_up_by_reaction = broken_up_by_reaction
        self.tottal_dict = tottal_dict
        self.tester = tester
        return
Exemplo n.º 2
0
    def master_equation_s_matrix_building(self, loop_counter=0):
        master_equation_instance = meq.Master_Equation()
        self.master_equation_instance = master_equation_instance
        mapped_to_alpha_full_simulation, nested_list = master_equation_instance.map_to_alpha(
            self.sensitivity_dict, self.experiment_dictonaries,
            self.list_of_parsed_yamls, self.master_equation_reactions)

        self.reactions_mapped_to_chebyshev_parameters = mapped_to_alpha_full_simulation
        self.nested_list_for_MP_mapping = nested_list
        MP_for_S_matrix = master_equation_instance.map_to_S(
            self.nested_list_for_MP_mapping, self.sensitivity_dict,
            self.master_equation_reactions)
        self.MP_for_S_matrix = MP_for_S_matrix
        return
    -4.16333634e-14, -2.49800181e-14, 2.77555756e-15, 2.77555756e-15,
    -2.77555756e-15, -1.64246079e-02, 5.42951118e-03, 1.81168588e-03,
    -2.88407459e-03, 4.68262347e-03, -4.16333634e-14, -2.49800181e-14,
    2.77555756e-15, 2.77555756e-15, -2.77555756e-15, -1.64246079e-02,
    5.42951118e-03, 1.81168588e-03, -2.88407459e-03, 4.68262347e-03,
    -4.16333634e-14, -2.49800181e-14, 2.77555756e-15, 2.77555756e-15,
    -2.77555756e-15, -1.64246079e-02, 5.42951118e-03, 1.81168588e-03,
    -2.88407459e-03, 4.68262347e-03, -4.16333634e-14, -2.49800181e-14,
    2.77555756e-15, 2.77555756e-15, -2.77555756e-15, -1.64246079e-02,
    5.42951118e-03, 1.81168588e-03, -2.88407459e-03, 4.68262347e-03
])
a1 = a1.reshape((25, 4))

sensitivity_dict = {
    'H2O2 + OH <=> H2O + HO2': [a1, a1, a1],
    'HO2 + OH <=> H2O + O2': [a1, a1, a1]
}

master_equation_instance = meq.Master_Equation()
mapped_to_alpha_full_simulation, nested_list = master_equation_instance.map_to_alpha(
    sensitivity_dict, exp_dict_list_original, list_of_parsed_yamls,
    ['H2O2 + OH <=> H2O + HO2', 'HO2 + OH <=> H2O + O2'])

S_matrix = master_equation_instance.map_to_S(
    nested_list, sensitivity_dict,
    ['H2O2 + OH <=> H2O + HO2', 'HO2 + OH <=> H2O + O2'])
#
#matrix_instance = ml.Adding_Target_Values(MSI_st_instance_one.S_matrix,MSI_st_instance_one.Y_matrix,MSI_st_instance_one.sigma)
#matrix_instance.target_values_for_S(MSI_st_instance_one.data_directory+'/'+MSI_st_instance_one.k_target_values_csv,MSI_st_instance_one.experiment_dictonaries,
#                                   ['H + HCO <=> CO + H2'],sensitivity_dict)