Compute IDT and IDT SA using Cantera #150
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Module common
Module main
Module schema
Module simulate
tests
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and minor related modifications to schema
Also added descriptions to commented input
Save sa_dict Added paths to main
…lot. Also changed style to scatter plot with 100 points of simulations.
| plt.xlim(x_min, x_max) | ||
| plt.savefig(os.path.join(figs_path, fig_name)) | ||
| plt.close() | ||
| except (AttributeError, ValueError): |
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| ax.set_yscale('log') | ||
| ax.legend(loc='lower right') | ||
| fig.savefig(os.path.join(figs_path, fig_name)) | ||
| except (AttributeError, ValueError): |
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| """ | ||
|
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| import os | ||
| import shutil |
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Unused import Note test
| from t3.simulate.cantera_IDT import (CanteraIDT, DELTA_H, DELTA_K, calculate_arrhenius_rate_coefficient, | ||
| calculate_troe_rate_coefficient, calculate_chebyshev_rate_coefficient, | ||
| calculate_plog_rate_coefficient, get_Ea_units, get_h298, get_pressure_from_cantera, | ||
| get_t_and_p_lists, perturb_enthalpy, perturb_reaction_rate_coefficient, | ||
| plot_idt_vs_temperature) |
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Unused import Note test
| # def teardown_module(): | ||
| # """ | ||
| # A method that is run after all unit tests in this class. | ||
| # Delete all project directories created during these unit tests | ||
| # """ | ||
| # for test_dir_path in [TEST_DIR, TEST_DIR_IDT]: | ||
| # log_archive = os.path.join(test_dir_path, 'log_archive') | ||
| # dirs = [log_archive] | ||
| # for dir_ in dirs: | ||
| # if os.path.isdir(dir_): | ||
| # shutil.rmtree(dir_, ignore_errors=True) | ||
| # files = [os.path.join(test_dir_path, 't3.log')] | ||
| # for file in files: | ||
| # if os.path.isfile(file): | ||
| # os.remove(file) | ||
| # for iteration in [0, 1, 2, 3, 4, 5]: | ||
| # figs_path = os.path.join(test_dir_path, f'iteration_{iteration}', 'Figures') | ||
| # if os.path.isdir(figs_path): | ||
| # shutil.rmtree(figs_path, ignore_errors=True) |
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Commented-out code Note test
Added the Cantera IDT adapter
Allow users to specify "roles" (fuel, oxygen, nitrogen) to species, and compute equivalence ratios automatically