141 lines
5.2 KiB
Python
141 lines
5.2 KiB
Python
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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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 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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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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