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[Input/Test] Add tests of solution properties for round-tripped phases

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This commit is contained in:
Ray Speth
2021-04-12 18:57:42 -04:00
committed by Ingmar Schoegl
parent c88b44a889
commit 9b2bad643f
1 changed files with 31 additions and 0 deletions
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31
interfaces/cython/cantera/test/test_composite.py
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@@ -474,6 +474,9 @@ class TestSolutionSerialization(utilities.CanteraTest):
def test_yaml_simple(self):
gas = ct.Solution('h2o2.yaml')
gas.TPX = 500, ct.one_atm, 'H2: 1.0, O2: 1.0'
gas.equilibrate('HP')
gas.TP = 1500, ct.one_atm
gas.write_yaml('h2o2-generated.yaml')
with open('h2o2-generated.yaml', 'r') as infile:
generated = yaml.safe_load(infile)
@@ -485,8 +488,19 @@ class TestSolutionSerialization(utilities.CanteraTest):
for i, reaction in enumerate(generated['reactions']):
self.assertEqual(reaction['equation'], gas.reaction_equation(i))
gas2 = ct.Solution("h2o2-generated.yaml")
self.assertArrayNear(gas.concentrations, gas2.concentrations)
self.assertArrayNear(gas.partial_molar_enthalpies,
gas2.partial_molar_enthalpies)
self.assertArrayNear(gas.forward_rate_constants,
gas2.forward_rate_constants)
self.assertArrayNear(gas.mix_diff_coeffs, gas2.mix_diff_coeffs)
def test_yaml_outunits(self):
gas = ct.Solution('h2o2.yaml')
gas.TPX = 500, ct.one_atm, 'H2: 1.0, O2: 1.0'
gas.equilibrate('HP')
gas.TP = 1500, ct.one_atm
units = {'length': 'cm', 'quantity': 'mol', 'energy': 'cal'}
gas.write_yaml('h2o2-generated.yaml', units=units)
with open('h2o2-generated.yaml') as infile:
@@ -500,9 +514,19 @@ class TestSolutionSerialization(utilities.CanteraTest):
self.assertNear(r1['rate-constant']['A'], r2['rate-constant']['A'])
self.assertNear(r1['rate-constant']['Ea'], r2['rate-constant']['Ea'])
gas2 = ct.Solution("h2o2-generated.yaml")
self.assertArrayNear(gas.concentrations, gas2.concentrations)
self.assertArrayNear(gas.partial_molar_enthalpies,
gas2.partial_molar_enthalpies)
self.assertArrayNear(gas.forward_rate_constants,
gas2.forward_rate_constants)
self.assertArrayNear(gas.mix_diff_coeffs, gas2.mix_diff_coeffs)
def test_yaml_surface(self):
gas = ct.Solution('ptcombust.yaml', 'gas')
surf = ct.Interface('ptcombust.yaml', 'Pt_surf', [gas])
gas.TPY = 900, ct.one_atm, np.ones(gas.n_species)
surf.coverages = np.ones(surf.n_species)
surf.write_yaml('ptcombust-generated.yaml')
with open('ptcombust-generated.yaml') as infile:
@@ -513,6 +537,13 @@ class TestSolutionSerialization(utilities.CanteraTest):
self.assertEqual(len(generated['Pt_surf-reactions']), surf.n_reactions)
self.assertEqual(len(generated['species']), surf.n_total_species)
gas2 = ct.Solution('ptcombust-generated.yaml', 'gas')
surf2 = ct.Solution('ptcombust-generated.yaml', 'Pt_surf', [gas2])
self.assertArrayNear(surf.concentrations, surf2.concentrations)
self.assertArrayNear(surf.partial_molar_enthalpies,
surf2.partial_molar_enthalpies)
self.assertArrayNear(surf.forward_rate_constants,
surf2.forward_rate_constants)
class TestSpeciesSerialization(utilities.CanteraTest):
def test_species_simple(self):