def checkConversion(self, refFile, testFile):
ref = ct.IdealGasMix(refFile)
gas = ct.IdealGasMix(testFile)
self.assertEqual(ref.elementNames(), gas.elementNames())
self.assertEqual(ref.speciesNames(), gas.speciesNames())
self.assertTrue(
(ref.reactantStoichCoeffs() == gas.reactantStoichCoeffs()).all())
compositionA = [[ref.nAtoms(i, j) for j in range(ref.nElements())]
for i in range(ref.nSpecies())]
compositionB = [[gas.nAtoms(i, j) for j in range(gas.nElements())]
for i in range(gas.nSpecies())]
self.assertEqual(compositionA, compositionB)
return ref, gas
def test_transport_normal(self):
convertMech('../../data/inputs/h2o2.inp',
transportFile='../../data/transport/gri30_tran.dat',
outName='h2o2_transport_normal.cti',
quiet=True)
gas = ct.IdealGasMix('h2o2_transport_normal.cti')
gas.set(X='H2:1.0, O2:1.0', T=300, P=101325)
self.assertAlmostEqual(gas.thermalConductivity(), 0.07663, 4)
def test_transport_embedded(self):
convertMech('../data/with-transport.inp',
outName='with-transport.cti',
quiet=True)
gas = ct.IdealGasMix('with-transport.cti')
gas.set(X=[0.2, 0.3, 0.5])
D = gas.mixDiffCoeffs()
for d in D:
self.assertTrue(d > 0.0)
def test_duplicate_species(self):
self.assertRaises(
ck2cti.InputParseError,
lambda: convertMech('../data/duplicate-species.inp',
outName='duplicate-species.cti',
quiet=True))
convertMech('../data/duplicate-species.inp',
outName='duplicate-species.cti',
quiet=True,
permissive=True)
gas = ct.IdealGasMix('duplicate-species.cti')
self.assertEqual(gas.speciesNames(), ['foo', 'bar', 'baz'])
def test_unterminatedSections(self):
self.assertRaises(
ck2cti.InputParseError,
lambda: convertMech('../data/unterminated-sections.inp',
outName='unterminated-sections.cti',
quiet=True))
convertMech('../data/unterminated-sections.inp',
outName='unterminated-sections.cti',
quiet=True,
permissive=True)
gas = ct.IdealGasMix('unterminated-sections.cti')
self.assertEqual(gas.nSpecies(), 3)
self.assertEqual(gas.nReactions(), 2)
def test_pathologicalSpeciesNames(self):
convertMech('../data/species-names.inp',
outName='species-names.cti',
quiet=True)
gas = ct.IdealGasMix('species-names.cti')
self.assertEqual(gas.nSpecies(), 3)
self.assertEqual(gas.speciesName(0), '(Parens)')
self.assertEqual(gas.speciesName(1), '@#$%^-2')
self.assertEqual(gas.speciesName(2), '[xy2]*{.}')
self.assertEqual(gas.nReactions(), 2)
nu = gas.productStoichCoeffs() - gas.reactantStoichCoeffs()
self.assertEqual(list(nu[:, 0]), [-1, -1, 2])
self.assertEqual(list(nu[:, 1]), [-2, 3, -1])
def test_duplicate_thermo(self):
self.assertRaises(
ck2cti.InputParseError,
lambda: convertMech('../data/duplicate-thermo.inp',
outName='duplicate-thermo.cti',
quiet=True))
convertMech('../data/duplicate-thermo.inp',
outName='duplicate-thermo.cti',
quiet=True,
permissive=True)
gas = ct.IdealGasMix('duplicate-thermo.cti')
self.assertTrue(gas.nSpecies(), 3)
self.assertTrue(gas.nReactions(), 2)
def test_checkReactionBalance(self):
self.assertRaises(Exception,
lambda: ct.IdealGasMix('../data/h2o2_unbalancedReaction.xml'))
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])