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[SpeciesThermo] load piecewise-Gibbs from YAML

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This commit is contained in:
Ingmar Schoegl 2019-10-07 13:42:00 -05:00 • committed by Ray Speth
parent d43774e721
commit 650db397b2
1 changed files with 26 additions and 2 deletions
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28
interfaces/cython/cantera/test/test_thermo.py
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@ -1210,7 +1210,7 @@ class TestSpeciesThermo(utilities.CanteraTest):
self.assertNear(st.cp(T), st2.cp(T))
self.assertNear(st.h(T), st2.h(T))
self.assertNear(st.s(T), st2.s(T))
def test_shomate_load(self):
sol = ct.Solution('thermo-models.yaml', 'molten-salt-Margules')
st = sol.species(0).thermo
@ -1235,7 +1235,14 @@ class TestSpeciesThermo(utilities.CanteraTest):
self.assertNear(st.h(T), st2.h(T))
self.assertNear(st.s(T), st2.s(T))
def test_mu0poly_create(self):
def test_piecewise_gibbs_load(self):
sol = ct.Solution('thermo-models.yaml', 'HMW-NaCl-electrolyte')
st = sol.species(1).thermo
self.assertIsInstance(st, ct.Mu0Poly)
self.assertEqual(st.n_coeffs, len(st.coeffs))
self.assertTrue(st._check_n_coeffs(st.n_coeffs))
def test_piecewise_gibbs_create1(self):
# use OH- ion data from test/thermo/phaseConstructors.cpp
h298 = -230.015e6
T1 = 298.15
@ -1249,6 +1256,23 @@ class TestSpeciesThermo(utilities.CanteraTest):
self.assertEqual(st2.n_coeffs, len(coeffs))
self.assertEqual(st2.n_coeffs, len(st2.coeffs))
def test_piecewise_gibbs_create2(self):
sol = ct.Solution('thermo-models.yaml', 'HMW-NaCl-electrolyte')
st = sol.species(1).thermo
t_min = st.min_temp
t_max = st.max_temp
p_ref = st.reference_pressure
coeffs = st.coeffs
st2 = ct.Mu0Poly(t_min, t_max, p_ref, coeffs)
self.assertIsInstance(st2, ct.Mu0Poly)
self.assertEqual(st.min_temp, t_min)
self.assertEqual(st.max_temp, t_max)
self.assertEqual(st.reference_pressure, p_ref)
for T in [300, 500, 700, 900]:
self.assertNear(st.cp(T), st2.cp(T))
self.assertNear(st.h(T), st2.h(T))
self.assertNear(st.s(T), st2.s(T))
class TestQuantity(utilities.CanteraTest):
@classmethod