(self, ck_phase, yaml_phase, temperatures, tol=1e-7)
| 876 | return ck_phase, yaml_phase |
| 877 | |
| 878 | def check_thermo(self, ck_phase, yaml_phase, temperatures, tol=1e-7): |
| 879 | yaml_idx = {ck_phase.species_index(s): yaml_phase.species_index(s) for s in ck_phase.species_names} |
| 880 | |
| 881 | for T in temperatures: |
| 882 | ck_phase.TP = T, ct.one_atm |
| 883 | yaml_phase.TP = T, ct.one_atm |
| 884 | cp_ck = ck_phase.partial_molar_cp |
| 885 | cp_yaml = yaml_phase.partial_molar_cp |
| 886 | h_ck = ck_phase.partial_molar_enthalpies |
| 887 | h_yaml = yaml_phase.partial_molar_enthalpies |
| 888 | s_ck = ck_phase.partial_molar_entropies |
| 889 | s_yaml = yaml_phase.partial_molar_entropies |
| 890 | assert ck_phase.density == approx(yaml_phase.density) |
| 891 | for i in range(ck_phase.n_species): |
| 892 | message = ' for species {0} at T = {1}'.format(i, T) |
| 893 | assert cp_ck[i] == approx(cp_yaml[yaml_idx[i]], rel=tol), 'cp' + message |
| 894 | assert h_ck[i] == approx(h_yaml[yaml_idx[i]], rel=tol), 'h' + message |
| 895 | assert s_ck[i] == approx(s_yaml[yaml_idx[i]], rel=tol), 's' + message |
| 896 | |
| 897 | def check_kinetics(self, ck_phase, yaml_phase, temperatures, pressures, tol=1e-7): |
| 898 | for T, P in itertools.product(temperatures, pressures): |
no test coverage detected