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Compute IDT and IDT SA using Cantera #150

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Compute IDT and IDT SA using Cantera #150

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alongd
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@alongd alongd commented May 2, 2024

Added the Cantera IDT adapter
Allow users to specify "roles" (fuel, oxygen, nitrogen) to species, and compute equivalence ratios automatically

t3/simulate/cantera_IDT.py Fixed Show fixed Hide fixed
t3/simulate/cantera_IDT.py Fixed Show fixed Hide fixed
t3/simulate/cantera_IDT.py Fixed Show fixed Hide fixed
t3/simulate/cantera_IDT.py Fixed Show fixed Hide fixed
t3/simulate/cantera_IDT.py Fixed Show fixed Hide fixed
plt.xlim(x_min, x_max)
plt.savefig(os.path.join(figs_path, fig_name))
plt.close()
except (AttributeError, ValueError):

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Code scanning / CodeQL

Empty except Note

'except' clause does nothing but pass and there is no explanatory comment.
ax.set_yscale('log')
ax.legend(loc='lower right')
fig.savefig(os.path.join(figs_path, fig_name))
except (AttributeError, ValueError):

Check notice

Code scanning / CodeQL

Empty except Note

'except' clause does nothing but pass and there is no explanatory comment.
t3/simulate/rmg_constantTP.py Fixed Show fixed Hide fixed
t3/simulate/rxn_idt.py Fixed Show fixed Hide fixed
Comment on lines +17 to +21
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, get_top_sa_coefficients, perturb_enthalpy,
perturb_reaction_rate_coefficient, plot_idt_vs_temperature)

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Code scanning / CodeQL

Unused import Note test

Import of 'plot_idt_vs_temperature' is not used.
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