[Cython] Move thermo tests from old Python module to Cython module
This commit is contained in:
Ray Speth
parent
24a8d07b60
commit
70a728c8f7
3 changed files with 98 additions and 166 deletions
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@ -8,6 +8,9 @@ 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 teste_phases(self):
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self.assertEqual(self.phase.n_phases, 1)
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def test_species(self):
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self.assertEqual(self.phase.n_species, 9)
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for i,name in enumerate(self.phase.species_names):
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@ -23,14 +26,30 @@ class TestThermoPhase(utilities.CanteraTest):
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self.assertEqual(i, self.phase.element_index(i))
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def test_n_atoms(self):
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self.assertEqual(self.phase.n_atoms('H2', 'H'), 2)
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self.assertEqual(self.phase.n_atoms('H2O2', 'H'), 2)
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self.assertEqual(self.phase.n_atoms('HO2', 'H'), 1)
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self.assertEqual(self.phase.n_atoms('AR', 'H'), 0)
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data = [(1, 'O', 'O'), (2, 'O', 'O2'), (1, 'H', 'OH'),
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(2, 'H', 'H2O'), (2, 'O', 'H2O2'), (1, 'Ar', 'AR'),
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(0, 'O', 'H'), (0, 'H', 'AR'), (0, 'Ar', 'HO2')]
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for (n, elem, species) in data:
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self.assertEqual(self.phase.n_atoms(species, elem), n)
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mElem = self.phase.element_index(elem)
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kSpec = self.phase.species_index(species)
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self.assertEqual(self.phase.n_atoms(kSpec, mElem), n)
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self.assertRaises(ValueError, lambda: self.phase.n_atoms('C', 'H2'))
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self.assertRaises(ValueError, lambda: self.phase.n_atoms('H', 'CH4'))
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def test_weights(self):
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atomic_weights = self.phase.atomic_weights
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molecular_weights = self.phase.molecular_weights
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self.assertEqual(self.phase.n_elements, len(atomic_weights))
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self.assertEqual(self.phase.n_species, len(molecular_weights))
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for i,mw in enumerate(molecular_weights):
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test_weight = 0.0
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for j,aw in enumerate(atomic_weights):
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test_weight += aw * self.phase.n_atoms(i,j)
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self.assertAlmostEqual(test_weight, mw)
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def test_setComposition(self):
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X = np.zeros(self.phase.n_species)
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X[2] = 1.0
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@ -102,7 +121,6 @@ class TestThermoPhase(utilities.CanteraTest):
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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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@ -293,6 +311,7 @@ class TestThermoPhase(utilities.CanteraTest):
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class TestThermo(utilities.CanteraTest):
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def setUp(self):
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self.gas = ct.ThermoPhase('h2o2.xml')
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self.gas.TPX = 450, 2e5, 'H2:1.0, O2:0.4, AR:3, H2O:0.1'
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def test_setSV_lowT(self):
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"""
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@ -352,6 +371,44 @@ class TestThermo(utilities.CanteraTest):
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self.assertNear(self.gas.P, p1)
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self.assertTrue(self.gas.T > self.gas.max_temp)
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def test_volume(self):
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""" This phase should follow the ideal gas law """
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g = self.gas
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self.assertAlmostEqual(g.P, g.density_mole * ct.gas_constant * g.T)
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self.assertAlmostEqual(
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g.P / g.density,
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ct.gas_constant / g.mean_molecular_weight * g.T)
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self.assertAlmostEqual(g.density, 1.0 / g.volume_mass)
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def test_energy(self):
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g = self.gas
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mmw = g.mean_molecular_weight
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self.assertAlmostEqual(g.enthalpy_mass, g.enthalpy_mole / mmw)
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self.assertAlmostEqual(g.int_energy_mass, g.int_energy_mole / mmw)
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self.assertAlmostEqual(g.gibbs_mass, g.gibbs_mole / mmw)
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self.assertAlmostEqual(g.entropy_mass, g.entropy_mole / mmw)
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self.assertAlmostEqual(g.cv_mass, g.cv_mole / mmw)
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self.assertAlmostEqual(g.cp_mass, g.cp_mole / mmw)
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self.assertAlmostEqual(g.cv_mole + ct.gas_constant, g.cp_mole)
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def test_nondimensional(self):
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g = self.gas
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R = ct.gas_constant
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self.assertAlmostEqual(np.dot(g.standard_cp_R, g.X),
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g.cp_mole / R)
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self.assertAlmostEqual(np.dot(g.standard_enthalpies_RT, g.X),
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g.enthalpy_mole / (R*g.T))
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Smix_R = - np.dot(g.X, np.log(g.X+1e-20))
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self.assertAlmostEqual(np.dot(g.standard_entropies_R, g.X) + Smix_R,
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g.entropy_mole / R)
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self.assertAlmostEqual(np.dot(g.standard_gibbs_RT, g.X) - Smix_R,
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g.gibbs_mole / (R*g.T))
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class TestInterfacePhase(utilities.CanteraTest):
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def setUp(self):
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@ -363,3 +420,38 @@ class TestInterfacePhase(utilities.CanteraTest):
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def test_properties(self):
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self.interface.site_density = 100
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self.assertNear(self.interface.site_density, 100)
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class ImportTest(utilities.CanteraTest):
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"""
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Test the various ways of creating a Solution object
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"""
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def check(self, gas, name, T, P, nSpec, nElem):
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self.assertEqual(gas.name, name)
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self.assertAlmostEqual(gas.T, T)
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self.assertAlmostEqual(gas.P, P)
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self.assertEqual(gas.n_species, nSpec)
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self.assertEqual(gas.n_elements, nElem)
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def test_import_phase_cti(self):
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gas1 = ct.Solution('../data/air-no-reactions.cti', 'air')
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self.check(gas1, 'air', 300, 101325, 8, 3)
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gas2 = ct.Solution('../data/air-no-reactions.cti', 'notair')
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self.check(gas2, 'notair', 900, 5*101325, 7, 2)
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def test_import_phase_cti2(self):
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# This should import the first phase, i.e. 'air'
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gas = ct.Solution('../data/air-no-reactions.cti')
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self.check(gas, 'air', 300, 101325, 8, 3)
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def test_import_phase_xml(self):
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gas1 = ct.Solution('../data/air-no-reactions.xml', 'air')
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self.check(gas1, 'air', 300, 101325, 8, 3)
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gas2 = ct.Solution('../data/air-no-reactions.xml', 'notair')
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self.check(gas2, 'notair', 900, 5*101325, 7, 2)
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def test_checkReactionBalance(self):
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self.assertRaises(Exception,
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lambda: ct.Solution('../data/h2o2_unbalancedReaction.xml'))
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@ -21,8 +21,7 @@ if __name__ == '__main__':
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loader = unittest.TestLoader()
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runner = unittest.TextTestRunner(verbosity=2)
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suite = loader.loadTestsFromName('testSolution')
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suite.addTests(loader.loadTestsFromName('testKinetics'))
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suite = loader.loadTestsFromName('testKinetics')
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suite.addTests(loader.loadTestsFromName('testPureFluid'))
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suite.addTests(loader.loadTestsFromName('testEquilibrium'))
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suite.addTests(loader.loadTestsFromName('testReactors'))
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@ -1,159 +0,0 @@
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import unittest
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import numpy as np
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import Cantera as ct
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class ImportTest(unittest.TestCase):
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"""
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Test the various ways of creating a Solution object
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"""
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def check(self, gas, name, T, P, nSpec, nElem):
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self.assertEqual(gas.name(), name)
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self.assertAlmostEqual(gas.temperature(), T)
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self.assertAlmostEqual(gas.pressure(), P)
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self.assertEqual(gas.nSpecies(), nSpec)
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self.assertEqual(gas.nElements(), nElem)
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def test_importPhase_cti(self):
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gas1 = ct.importPhase('../data/air-no-reactions.cti', 'air')
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self.check(gas1, 'air', 300, 101325, 8, 3)
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gas2 = ct.importPhase('../data/air-no-reactions.cti', 'notair')
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self.check(gas2, 'notair', 900, 5*101325, 7, 2)
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def test_importPhase_cti2(self):
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# This should import the first phase, i.e. 'air'
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gas = ct.importPhase('../data/air-no-reactions.cti')
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self.check(gas, 'air', 300, 101325, 8, 3)
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def test_importPhase_xml(self):
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gas1 = ct.importPhase('../data/air-no-reactions.xml', 'air')
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self.check(gas1, 'air', 300, 101325, 8, 3)
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gas2 = ct.importPhase('../data/air-no-reactions.xml', 'notair')
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self.check(gas2, 'notair', 900, 5*101325, 7, 2)
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def test_import_GRI30(self):
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gas = ct.GRI30()
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self.check(gas, 'gri30', 300, 101325, 53, 5)
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def test_checkReactionBalance(self):
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self.assertRaises(Exception,
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lambda: ct.IdealGasMix('../data/h2o2_unbalancedReaction.xml'))
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class BasicTest(unittest.TestCase):
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@classmethod
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def setUpClass(cls):
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cls.gas = ct.importPhase('../data/air-no-reactions.xml', 'air')
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def setUp(self):
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# Workaround for Python 2.6 unittest, which does not call setUpClass
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try:
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self.gas
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except AttributeError:
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self.setUpClass()
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def test_counts(self):
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self.assertEqual(self.gas.nElements(), 3)
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self.assertEqual(self.gas.nSpecies(), 8)
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self.assertEqual(self.gas.nPhases(), 1)
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def test_elements(self):
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self.assertEqual(self.gas.nElements(), len(self.gas.elementNames()))
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for i,name in enumerate(self.gas.elementNames()):
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self.assertEqual(self.gas.elementName(i), name)
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self.assertEqual(self.gas.elementIndex(name), i)
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def test_species(self):
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self.assertEqual(self.gas.nSpecies(), len(self.gas.speciesNames()))
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for i,name in enumerate(self.gas.speciesNames()):
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self.assertEqual(self.gas.speciesName(i), name)
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self.assertEqual(self.gas.speciesIndex(name), i)
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def test_nAtoms(self):
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data = [(1, 'O', 'O'), (2, 'O', 'O2'), (1, 'N', 'NO'),
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(1, 'O', 'NO'), (1, 'N', 'NO2'), (2, 'O', 'NO2'),
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(0, 'O', 'N2'), (0, 'Ar', 'N2O')]
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for (n, elem, species) in data:
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self.assertEqual(self.gas.nAtoms(species, elem), n)
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mElem = self.gas.elementIndex(elem)
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kSpec = self.gas.speciesIndex(species)
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self.assertEqual(self.gas.nAtoms(kSpec, mElem), n)
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def test_weights(self):
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atomic_weights = self.gas.atomicWeights()
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molecular_weights = self.gas.molecularWeights()
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self.assertEqual(self.gas.nElements(), len(atomic_weights))
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self.assertEqual(self.gas.nSpecies(), len(molecular_weights))
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for i,mw in enumerate(molecular_weights):
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test_weight = 0.0
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for j,aw in enumerate(atomic_weights):
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test_weight += aw * self.gas.nAtoms(i,j)
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self.assertAlmostEqual(test_weight, mw)
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class ThermoTest(unittest.TestCase):
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"""
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Test the thermodynamic property accessor functions of a Solution
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"""
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@classmethod
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def setUpClass(cls):
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cls.gas = ct.importPhase('../data/air-no-reactions.xml', 'air')
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cls.T0 = cls.gas.temperature()
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cls.P0 = cls.gas.pressure()
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cls.X0 = cls.gas.moleFractions()
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def setUp(self):
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# Workaround for Python 2.6 unittest, which does not call setUpClass
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try:
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self.gas
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except AttributeError:
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self.setUpClass()
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self.gas.set(T=self.T0, P=self.P0, X=self.X0)
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def test_volume(self):
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# This class should follow the ideal gas law
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g = self.gas
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self.assertAlmostEqual(
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g.pressure(),
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g.molarDensity() * ct.GasConstant * g.temperature())
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self.assertAlmostEqual(
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g.pressure() / g.density(),
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ct.GasConstant / g.meanMolecularWeight() * g.temperature())
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self.assertAlmostEqual(g.density(), 1.0 / g.volume_mass())
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def test_energy(self):
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g = self.gas
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mmw = g.meanMolecularWeight()
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self.assertAlmostEqual(g.enthalpy_mass(), g.enthalpy_mole() / mmw)
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self.assertAlmostEqual(g.intEnergy_mass(), g.intEnergy_mole() / mmw)
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self.assertAlmostEqual(g.gibbs_mass(), g.gibbs_mole() / mmw)
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self.assertAlmostEqual(g.entropy_mass(), g.entropy_mole() / mmw)
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self.assertAlmostEqual(g.cv_mass(), g.cv_mole() / mmw)
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self.assertAlmostEqual(g.cp_mass(), g.cp_mole() / mmw)
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self.assertAlmostEqual(g.cv_mole() + ct.GasConstant, g.cp_mole())
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def test_nondimensional(self):
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g = self.gas
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T = g.temperature()
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R = ct.GasConstant
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X = g.moleFractions()
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self.assertAlmostEqual(np.dot(g.cp_R(), X),
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g.cp_mole() / R)
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self.assertAlmostEqual(np.dot(g.enthalpies_RT(), X),
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g.enthalpy_mole() / (R*T))
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Smix_R = - np.dot(X, np.log(X+1e-20))
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self.assertAlmostEqual(np.dot(g.entropies_R(), X) + Smix_R,
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g.entropy_mole() / R)
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self.assertAlmostEqual(np.dot(g.gibbs_RT(), X) - Smix_R,
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g.gibbs_mole() / (R*T))
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