Expanded tests for Cython ThermoPhase class
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Ray Speth
parent
c28a00be6e
commit
e3ce74723c
2 changed files with 203 additions and 2 deletions
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@ -8,8 +8,28 @@ class TestThermoPhase(utilities.CanteraTest):
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def setUp(self):
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self.phase = ct.Solution('h2o2.xml')
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def test_nSpecies(self):
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def test_species(self):
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self.assertEqual(self.phase.nSpecies, 9)
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for i,name in enumerate(self.phase.speciesNames):
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self.assertEqual(name, self.phase.speciesName(i))
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self.assertEqual(i, self.phase.speciesIndex(name))
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self.assertEqual(i, self.phase.speciesIndex(i))
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def test_elements(self):
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self.assertEqual(self.phase.nElements, 3)
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for i,symbol in enumerate(self.phase.elementNames):
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self.assertEqual(symbol, self.phase.elementName(i))
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self.assertEqual(i, self.phase.elementIndex(symbol))
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self.assertEqual(i, self.phase.elementIndex(i))
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def test_nAtoms(self):
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self.assertEqual(self.phase.nAtoms('H2', 'H'), 2)
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self.assertEqual(self.phase.nAtoms('H2O2', 'H'), 2)
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self.assertEqual(self.phase.nAtoms('HO2', 'H'), 1)
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self.assertEqual(self.phase.nAtoms('AR', 'H'), 0)
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self.assertRaises(ValueError, lambda: self.phase.nAtoms('C', 'H2'))
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self.assertRaises(ValueError, lambda: self.phase.nAtoms('H', 'CH4'))
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def test_setComposition(self):
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X = np.zeros(self.phase.nSpecies)
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@ -19,16 +39,190 @@ class TestThermoPhase(utilities.CanteraTest):
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self.assertEqual(list(X), list(Y))
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def test_setCompositionString(self):
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self.phase.X = 'H2:1.0, O2:1.0'
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X = self.phase.X
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self.assertEqual(X[0], 0.5)
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self.assertEqual(X[3], 0.5)
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def set_bad():
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self.phase.X = 'H2:1.0, CO2:1.5'
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self.assertRaises(Exception, set_bad)
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def test_report(self):
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report = self.phase.report()
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self.assertTrue(self.phase.name in report)
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self.assertTrue('temperature' in report)
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for name in self.phase.speciesNames:
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self.assertTrue(name in report)
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def test_name(self):
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self.assertEqual(self.phase.name, 'ohmech')
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self.phase.name = 'something'
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self.assertEqual(self.phase.name, 'something')
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self.assertTrue('something' in self.phase.report())
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def test_badLength(self):
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X = np.zeros(5)
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with self.assertRaises(ValueError):
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def set_X():
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self.phase.X = X
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def set_Y():
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self.phase.Y = X
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self.assertRaises(ValueError, set_X)
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self.assertRaises(ValueError, set_Y)
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def test_mass_basis(self):
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self.assertEqual(self.phase.basis, 'mass')
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self.assertEqual(self.phase.density_mass, self.phase.density)
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self.assertEqual(self.phase.enthalpy_mass, self.phase.h)
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self.assertEqual(self.phase.entropy_mass, self.phase.s)
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self.assertEqual(self.phase.intEnergy_mass, self.phase.u)
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self.assertEqual(self.phase.volume_mass, self.phase.v)
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self.assertEqual(self.phase.cv_mass, self.phase.cv)
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self.assertEqual(self.phase.cp_mass, self.phase.cp)
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def test_molar_basis(self):
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self.phase.basis = 'molar'
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self.assertEqual(self.phase.basis, 'molar')
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self.assertEqual(self.phase.density_mole, self.phase.density)
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self.assertEqual(self.phase.enthalpy_mole, self.phase.h)
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self.assertEqual(self.phase.entropy_mole, self.phase.s)
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self.assertEqual(self.phase.intEnergy_mole, self.phase.u)
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self.assertEqual(self.phase.volume_mole, self.phase.v)
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self.assertEqual(self.phase.cv_mole, self.phase.cv)
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self.assertEqual(self.phase.cp_mole, self.phase.cp)
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def check_setters(self, T1, rho1, Y1):
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T0, rho0, Y0 = self.phase.TDY
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self.phase.TDY = T1, rho1, Y1
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X1 = self.phase.X
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P1 = self.phase.P
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h1 = self.phase.h
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s1 = self.phase.s
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u1 = self.phase.u
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v1 = self.phase.v
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def check_state(T, rho, Y):
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self.assertNear(self.phase.T, T)
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self.assertNear(self.phase.density, rho)
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self.assertArrayNear(self.phase.Y, Y)
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self.phase.TDY = T0, rho0, Y0
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self.phase.TPY = T1, P1, Y1
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check_state(T1, rho1, Y1)
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self.phase.TDY = T0, rho0, Y0
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self.phase.UVY = u1, v1, Y1
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check_state(T1, rho1, Y1)
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self.phase.TDY = T0, rho0, Y0
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self.phase.HPY = h1, P1, Y1
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check_state(T1, rho1, Y1)
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self.phase.TDY = T0, rho0, Y0
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self.phase.SPY = s1, P1, Y1
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check_state(T1, rho1, Y1)
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self.phase.TDY = T0, rho0, Y0
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self.phase.TPX = T1, P1, X1
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check_state(T1, rho1, Y1)
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self.phase.TDY = T0, rho0, Y0
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self.phase.UVX = u1, v1, X1
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check_state(T1, rho1, Y1)
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self.phase.TDY = T0, rho0, Y0
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self.phase.HPX = h1, P1, X1
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check_state(T1, rho1, Y1)
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self.phase.TDY = T0, rho0, Y0
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self.phase.SPX = s1, P1, X1
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check_state(T1, rho1, Y1)
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def test_setState_mass(self):
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self.check_setters(T1 = 500.0, rho1 = 1.5,
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Y1 = [0.1, 0.0, 0.0, 0.1, 0.4, 0.2, 0.0, 0.0, 0.2])
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def test_setState_mole(self):
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self.phase.basis = 'molar'
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self.check_setters(T1 = 750.0, rho1 = 0.02,
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Y1 = [0.2, 0.1, 0.0, 0.3, 0.1, 0.0, 0.0, 0.2, 0.1])
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def check_getters(self):
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T,P,X = self.phase.TPX
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self.assertNear(T, self.phase.T)
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self.assertNear(P, self.phase.P)
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self.assertArrayNear(X, self.phase.X)
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S,P,Y = self.phase.SPY
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self.assertNear(S, self.phase.s)
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self.assertNear(P, self.phase.P)
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self.assertArrayNear(Y, self.phase.Y)
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U,V = self.phase.UV
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self.assertNear(U, self.phase.u)
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self.assertNear(V, self.phase.v)
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def test_getState_mass(self):
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self.phase.TDY = 350.0, 0.7, 'H2:0.1, H2O2:0.1, AR:0.8'
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self.check_getters()
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def test_getState_mole(self):
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self.phase.basis = 'molar'
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self.phase.TDX = 350.0, 0.01, 'H2:0.1, O2:0.3, AR:0.6'
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self.check_getters()
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def test_getState(self):
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self.assertNear(self.phase.P, ct.OneAtm)
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self.assertNear(self.phase.T, 300)
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def test_partial_molar(self):
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self.phase.TDY = 350.0, 0.6, 'H2:0.1, H2O2:0.1, AR:0.8'
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self.assertNear(sum(self.phase.partial_molar_enthalpies * self.phase.X),
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self.phase.enthalpy_mole)
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self.assertNear(sum(self.phase.partial_molar_entropies * self.phase.X),
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self.phase.entropy_mole)
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self.assertNear(sum(self.phase.partial_molar_int_energies * self.phase.X),
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self.phase.intEnergy_mole)
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self.assertNear(sum(self.phase.chem_potentials * self.phase.X),
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self.phase.gibbs_mole)
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self.assertNear(sum(self.phase.partial_molar_cp * self.phase.X),
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self.phase.cp_mole)
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def test_nondimensional(self):
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self.phase.TDY = 850.0, 0.2, 'H2:0.1, H2O:0.6, AR:0.3'
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H = (sum(self.phase.standard_enthalpies_RT * self.phase.X) *
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ct.GasConstant * self.phase.T)
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self.assertNear(H, self.phase.enthalpy_mole)
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U = (sum(self.phase.standard_intEnergies_RT * self.phase.X) *
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ct.GasConstant * self.phase.T)
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self.assertNear(U, self.phase.intEnergy_mole)
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cp = sum(self.phase.standard_cp_R * self.phase.X) * ct.GasConstant
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self.assertNear(cp, self.phase.cp_mole)
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@unittest.skip("needs merge from 2.0 maintenance")
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def test_isothermalCompressibility(self):
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self.assertNear(self.phase.isothermalCompressibility, 1.0/self.phase.P)
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def test_thermalExpansionCoeff(self):
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self.assertNear(self.phase.thermalExpansionCoeff, 1.0/self.phase.T)
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def test_ref_info(self):
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self.assertEqual(self.phase.refPressure, ct.OneAtm)
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self.assertEqual(self.phase.minTemp, 300.0)
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self.assertEqual(self.phase.maxTemp, 3500.0)
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class TestInterfacePhase(utilities.CanteraTest):
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def setUp(self):
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@ -10,3 +10,10 @@ class CanteraTest(unittest.TestCase):
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if msg:
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message = msg + '\n' + message
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self.fail(message)
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def assertArrayNear(self, A, B, rtol=1e-8, atol=1e-12, msg=None):
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if len(A) != len(B):
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self.fail("Arrays are of different lengths ({0}, {0})".format(len(A), len(B)))
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for a,b in zip(A,B):
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self.assertNear(a,b, rtol, atol, msg)
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