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extended the test_results_cantera

This commit is contained in:
Nicolas Kruse 2025-11-17 13:49:13 +01:00
parent 681e356451
commit 6f8eb2914c
1 changed files with 29 additions and 4 deletions
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33
tests/test_results_cantera.py
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@ -28,14 +28,14 @@ def test_equilibrium_cantera():
flow1 = ct.Solution('gri30.yaml') # type: ignore flow1 = ct.Solution('gri30.yaml') # type: ignore
ct_results = [] ct_results = []
comp = (composition.array_fractions[i, j] for i in range(composition.shape[0]) for j in range(composition.shape[1])) comp = [composition.array_fractions[i, j] for i in range(composition.shape[0]) for j in range(composition.shape[1])]
for c in comp: for c in comp:
comp_dict = {s: v for s, v in zip(fs.species, c)} comp_dict = {s: v for s, v in zip(fs.species, c)}
flow1.TP = t, p flow1.TP = t, p
flow1.X = comp_dict flow1.X = comp_dict
flow1.equilibrate('TP') # type: ignore flow1.equilibrate('TP') # type: ignore
indeces = [i for flsn in fs.active_species for i, sn in enumerate(flow1.species_names) if flsn == sn] # type: ignore indeces = [i for flsn in fs.species for i, sn in enumerate(flow1.species_names) if flsn == sn] # type: ignore
ct_results.append(flow1.X[indeces]) # type: ignore ct_results.append(flow1.X[indeces]) # type: ignore
#if flow1.X[indeces][0] > 0.01: #if flow1.X[indeces][0] > 0.01:
@ -45,8 +45,33 @@ def test_equilibrium_cantera():
deviations = np.abs(gp_result_array - ct_result_array) deviations = np.abs(gp_result_array - ct_result_array)
for dev, gp_comp_result, ct_comp_result in zip(deviations, gp_result_array, ct_result_array): for dev, gp_comp_result, ct_comp_result, c in zip(deviations, gp_result_array, ct_result_array, comp):
print(f"Composition: {gp_comp_result} / {ct_comp_result}") comp_dict = {s: v for s, v in zip(fs.species, c)}
print(f"Inp. Composition: {comp_dict}")
print(f"Res. Composition: {gp_comp_result}")
print(f"Ref. Composition: {ct_comp_result}")
print(f"---")
assert np.all(dev < 0.04), f"Deviateion: {dev}" assert np.all(dev < 0.04), f"Deviateion: {dev}"
assert np.mean(deviations) < 2e-4 assert np.mean(deviations) < 2e-4
def test_cantera():
t = 1495 + 273.15 # K
p = 1e5 # Pa
flow1 = ct.Solution('gri30.yaml') # type: ignore
flow1.TP = t, p
inp_comp = {'CH4': 0.0, 'H2O': 0.0, 'H2': 0.9508196721311476, 'CO2': 0.0, 'CO': 0.0, 'O2': 0.04918032786885246}
flow1.X = inp_comp
flow1.equilibrate('TP') # type: ignore
results: dict[str, float] = {sn: float(flow1.X[i]) for flsn in inp_comp for i, sn in enumerate(flow1.species_names) if flsn == sn} # type: ignore
print(inp_comp)
print(results)
if __name__ == "__main__":
test_cantera()