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[Cython] Move kinetics tests from old Python module to Cython module

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This commit is contained in:
Ray Speth 2013-12-09 01:34:30 +00:00
parent 70a728c8f7
commit 24e3f99da4
3 changed files with 39 additions and 42 deletions
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38
interfaces/cython/cantera/test/test_kinetics.py
View file

@ -314,3 +314,41 @@ class TestChemicallyActivated(utilities.CanteraTest):
for i in range(len(P)):
gas.TPX = 900.0, P[i], [0.01, 0.01, 0.04, 0.10, 0.84]
self.assertNear(gas.forward_rates_of_progress[0], Rf[i], 2e-5)
class ExplicitForwardOrderTest(utilities.CanteraTest):
def setUp(self):
self.gas = ct.Solution('explicit-forward-order.xml')
self.gas.TPX = 800, 101325, [0.01, 0.90, 0.02, 0.03, 0.04]
def test_irreversibility(self):
# Reactions are irreversible
Rr = self.gas.reverse_rate_constants
self.assertEqual(Rr[0], 0.0)
self.assertEqual(Rr[1], 0.0)
def test_rateConstants(self):
# species order: [H, AR, R1A, R1B, P1]
C = self.gas.concentrations
Rf = self.gas.forward_rates_of_progress
kf = self.gas.forward_rate_constants
self.assertNear(Rf[0], kf[0] * C[2]**1.5 * C[3]**0.5)
self.assertNear(Rf[1], kf[1] * C[0]**1.0 * C[4]**0.2)
def test_ratio1(self):
rop1 = self.gas.forward_rates_of_progress
# Double concentration of H and R1A
self.gas.TPX = None, None, [0.02, 0.87, 0.04, 0.03, 0.04]
rop2 = self.gas.forward_rates_of_progress
ratio = rop2/rop1
self.assertNear(ratio[0], 2**1.5) # order of R1A is 1.5
self.assertNear(ratio[1], 2**1.0) # order of H is 1.0
def test_ratio2(self):
rop1 = self.gas.forward_rates_of_progress
# Double concentration of P1 and R1B
self.gas.TPX = None, None, [0.01, 0.83, 0.02, 0.06, 0.08]
rop2 = self.gas.forward_rates_of_progress
ratio = rop2/rop1
self.assertNear(ratio[0], 2**0.5) # order of R1B is 0.5
self.assertNear(ratio[1], 2**0.2) # order of P1 is 1.0

3
test/python/runTests.py
View file

@ -21,8 +21,7 @@ if __name__ == '__main__':
loader = unittest.TestLoader()
runner = unittest.TextTestRunner(verbosity=2)
suite = loader.loadTestsFromName('testKinetics')
suite.addTests(loader.loadTestsFromName('testPureFluid'))
suite = loader.loadTestsFromName('testPureFluid')
suite.addTests(loader.loadTestsFromName('testEquilibrium'))
suite.addTests(loader.loadTestsFromName('testReactors'))
suite.addTests(loader.loadTestsFromName('testConvert'))

40
test/python/testKinetics.py
View file

@ -1,40 +0,0 @@
import utilities
import Cantera as ct
class ExplicitForwardOrderTest(utilities.CanteraTest):
def setUp(self):
self.gas = ct.IdealGasMix('../data/explicit-forward-order.xml')
self.gas.set(T=800, P=101325, X=[0.01, 0.90, 0.02, 0.03, 0.04])
def test_irreversibility(self):
# Reactions are irreversible
Rr = self.gas.revRateConstants()
self.assertEqual(Rr[0], 0.0)
self.assertEqual(Rr[1], 0.0)
def test_rateConstants(self):
# species order: [H, AR, R1A, R1B, P1]
C = self.gas.moleFractions() * self.gas.molarDensity()
Rf = self.gas.fwdRatesOfProgress()
kf = self.gas.fwdRateConstants()
self.assertNear(Rf[0], kf[0] * C[2]**1.5 * C[3]**0.5)
self.assertNear(Rf[1], kf[1] * C[0]**1.0 * C[4]**0.2)
def test_ratio1(self):
rop1 = self.gas.fwdRatesOfProgress()
# Double concentration of H and R1A
self.gas.set(T=800, P=101325, X=[0.02, 0.87, 0.04, 0.03, 0.04])
rop2 = self.gas.fwdRatesOfProgress()
ratio = rop2/rop1
self.assertNear(ratio[0], 2**1.5) # order of R1A is 1.5
self.assertNear(ratio[1], 2**1.0) # order of H is 1.0
def test_ratio2(self):
rop1 = self.gas.fwdRatesOfProgress()
# Double concentration of P1 and R1B
self.gas.set(T=800, P=101325, X=[0.01, 0.83, 0.02, 0.06, 0.08])
rop2 = self.gas.fwdRatesOfProgress()
ratio = rop2/rop1
self.assertNear(ratio[0], 2**0.5) # order of R1B is 0.5
self.assertNear(ratio[1], 2**0.2) # order of P1 is 1.0