test added for non-equilibrium cases

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Nicolas Kruse 2025-06-24 10:56:14 +02:00
parent 1bc9fa4490
commit b758d78a14
1 changed files with 19 additions and 0 deletions

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import pytest
import gaspype as gp
def test_calculation_cold():
# Testing a non-equilibrium case. Result is only
# determined by stoichiometry.
fs = gp.fluid_system(['CH4', 'H2O', 'H2', 'CO2', 'CO', 'O2'])
el = gp.elements(gp.fluid({'H2': 1, 'CH4': 0.08, 'O2': 0.05}), fs=fs)
composition = gp.equilibrium(el, 300, 1e5)
print(el)
print(composition)
ref_result = [8.00000000e-02, 1.00000000e-01, 9.00000000e-01, 3.01246781e-23,
2.90783583e-27, 3.60487456e-82]
assert composition.array_composition == pytest.approx(ref_result, abs=0.001)