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