def test_explicit_forward_order(self):
if os.path.exists('explicit-forward-order.cti'):
os.remove('explicit-forward-order.cti')
ck2cti.convertMech('../data/explicit-forward-order.inp',
thermoFile='../data/dummy-thermo.dat',
outName='explicit-forward-order.cti', quiet=True)
ref, gas = self.checkConversion('../data/explicit-forward-order.xml',
'explicit-forward-order.cti')
self.checkKinetics(ref, gas, [300, 800, 1450, 2800], [5e3, 1e5, 2e6])
def test_pdep(self):
if os.path.exists('pdep_test.cti'):
os.remove('pdep_test.cti')
ck2cti.convertMech('../data/pdep-test.inp',
outName='pdep_test.cti', quiet=True)
ref, gas = self.checkConversion('../data/pdep-test.xml', 'pdep_test.cti')
self.checkKinetics(ref, gas, [300, 800, 1450, 2800], [5e3, 1e5, 2e6])
def test_sri_falloff(self):
if os.path.exists('sri-falloff.cti'):
os.remove('sri-falloff.cti')
ck2cti.convertMech('../data/sri-falloff.inp',
thermoFile='../data/dummy-thermo.dat',
outName='sri-falloff.cti', quiet=True)
ref, gas = self.checkConversion('../data/sri-falloff.xml',
'sri-falloff.cti')
self.checkKinetics(ref, gas, [300, 800, 1450, 2800], [5e3, 1e5, 2e6])
def test_gri30(self):
if os.path.exists('gri30_test.cti'):
os.remove('gri30_test.cti')
ck2cti.convertMech('../../data/inputs/gri30.inp',
transportFile='../../data/transport/gri30_tran.dat',
outName='gri30_test.cti', quiet=True)
ref, gas = self.checkConversion('gri30.xml', 'gri30_test.cti')
self.checkKinetics(ref, gas, [300, 1500], [5e3, 1e5, 2e6])
def test_explicit_forward_order(self):
if os.path.exists('explicit-forward-order.cti'):
os.remove('explicit-forward-order.cti')
ck2cti.convertMech('../data/explicit-forward-order.inp',
thermoFile='../data/dummy-thermo.dat',
outName='explicit-forward-order.cti',
quiet=True)
ref, gas = self.checkConversion('../data/explicit-forward-order.xml',
'explicit-forward-order.cti')
self.checkKinetics(ref, gas, [300, 800, 1450, 2800], [5e3, 1e5, 2e6])
def test_nasa9(self):
if os.path.exists('nasa9_test.cti'):
os.remove('nasa9_test.cti')
ck2cti.convertMech('../data/nasa9-test.inp',
thermoFile='../data/nasa9-test-therm.dat',
outName='nasa9_test.cti', quiet=True)
ref, gas = self.checkConversion('../data/nasa9-test.xml',
'nasa9_test.cti')
self.checkThermo(ref, gas, [300, 500, 1200, 5000])
def test_gri30(self):
if os.path.exists('gri30_test.cti'):
os.remove('gri30_test.cti')
ck2cti.convertMech('../../data/inputs/gri30.inp',
transportFile='../../data/transport/gri30_tran.dat',
outName='gri30_test.cti',
quiet=True)
ref, gas = self.checkConversion('gri30.xml', 'gri30_test.cti')
self.checkKinetics(ref, gas, [300, 1500], [5e3, 1e5, 2e6])
def test_nasa9(self):
if os.path.exists('nasa9_test.cti'):
os.remove('nasa9_test.cti')
ck2cti.convertMech('../data/nasa9-test.inp',
thermoFile='../data/nasa9-test-therm.dat',
outName='nasa9_test.cti',
quiet=True)
ref, gas = self.checkConversion('../data/nasa9-test.xml',
'nasa9_test.cti')
self.checkThermo(ref, gas, [300, 500, 1200, 5000])
def test_soot(self):
if os.path.exists('soot_test.cti'):
os.remove('soot_test.cti')
ck2cti.convertMech('../data/soot.inp',
thermoFile='../data/soot-therm.dat',
outName='soot_test.cti', quiet=True)
ref, gas = self.checkConversion('../data/soot.xml', 'soot_test.cti')
self.checkThermo(ref, gas, [300, 1100])
self.checkKinetics(ref, gas, [300, 1100], [5e3, 1e5, 2e6])
def test_transport_normal(self):
if os.path.exists('h2o2_transport_normal.cti'):
os.remove('h2o2_transport_normal.cti')
ck2cti.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_sri_falloff(self):
if os.path.exists('sri-falloff.cti'):
os.remove('sri-falloff.cti')
ck2cti.convertMech('../data/sri-falloff.inp',
thermoFile='../data/dummy-thermo.dat',
outName='sri-falloff.cti',
quiet=True)
ref, gas = self.checkConversion('../data/sri-falloff.xml',
'sri-falloff.cti')
self.checkKinetics(ref, gas, [300, 800, 1450, 2800], [5e3, 1e5, 2e6])
def test_pdep(self):
if os.path.exists('pdep_test.cti'):
os.remove('pdep_test.cti')
ck2cti.convertMech('../data/pdep-test.inp',
outName='pdep_test.cti',
quiet=True)
ref, gas = self.checkConversion('../data/pdep-test.xml',
'pdep_test.cti')
self.checkKinetics(ref, gas, [300, 800, 1450, 2800], [5e3, 1e5, 2e6])
def test_transport_normal(self):
if os.path.exists('h2o2_transport_normal.cti'):
os.remove('h2o2_transport_normal.cti')
ck2cti.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_soot(self):
if os.path.exists('soot_test.cti'):
os.remove('soot_test.cti')
ck2cti.convertMech('../data/soot.inp',
thermoFile='../data/soot-therm.dat',
outName='soot_test.cti',
quiet=True)
ref, gas = self.checkConversion('../data/soot.xml', 'soot_test.cti')
self.checkThermo(ref, gas, [300, 1100])
self.checkKinetics(ref, gas, [300, 1100], [5e3, 1e5, 2e6])
def test_missingThermo(self):
if os.path.exists('h2o2_missingThermo.cti'):
os.remove('h2o2_missingThermo.cti')
self.assertRaises(ck2cti.InputParseError,
lambda: ck2cti.convertMech('../data/h2o2_missingThermo.inp',
quiet=True))
def test_missingElement(self):
if os.path.exists('h2o2_missingElement.cti'):
os.remove('h2o2_missingElement.cti')
self.assertRaises(
ck2cti.InputParseError,
lambda: ck2cti.convertMech('../data/h2o2_missingElement.inp',
quiet=True))
def test_explicit_reverse_rate(self):
if os.path.exists('explicit-reverse-rate.cti'):
os.remove('explicit-reverse-rate.cti')
ck2cti.convertMech('../data/explicit-reverse-rate.inp',
thermoFile='../data/dummy-thermo.dat',
outName='explicit-reverse-rate.cti', quiet=True)
ref, gas = self.checkConversion('../data/explicit-reverse-rate.xml',
'explicit-reverse-rate.cti')
self.checkKinetics(ref, gas, [300, 800, 1450, 2800], [5e3, 1e5, 2e6])
# Reactions with explicit reverse rate constants are transformed into
# two irreversible reactions with reactants and products swapped.
Rr = gas.revRateConstants()
self.assertEqual(Rr[0], 0.0)
self.assertEqual(Rr[1], 0.0)
Rstoich = gas.reactantStoichCoeffs()
Pstoich = gas.productStoichCoeffs()
self.assertEqual(list(Rstoich[:,0]), list(Pstoich[:,1]))
self.assertEqual(list(Rstoich[:,1]), list(Pstoich[:,0]))
def test_explicit_reverse_rate(self):
if os.path.exists('explicit-reverse-rate.cti'):
os.remove('explicit-reverse-rate.cti')
ck2cti.convertMech('../data/explicit-reverse-rate.inp',
thermoFile='../data/dummy-thermo.dat',
outName='explicit-reverse-rate.cti',
quiet=True)
ref, gas = self.checkConversion('../data/explicit-reverse-rate.xml',
'explicit-reverse-rate.cti')
self.checkKinetics(ref, gas, [300, 800, 1450, 2800], [5e3, 1e5, 2e6])
# Reactions with explicit reverse rate constants are transformed into
# two irreversible reactions with reactants and products swapped.
Rr = gas.revRateConstants()
self.assertEqual(Rr[0], 0.0)
self.assertEqual(Rr[1], 0.0)
Rstoich = gas.reactantStoichCoeffs()
Pstoich = gas.productStoichCoeffs()
self.assertEqual(list(Rstoich[:, 0]), list(Pstoich[:, 1]))
self.assertEqual(list(Rstoich[:, 1]), list(Pstoich[:, 0]))
def convert():
ck2cti.convertMech('../../data/inputs/h2o2.inp',
transportFile='../data/h2o2-bad-geometry-tran.dat',
outName='h2o2_transport_bad_geometry.cti',
quiet=True)
def convert():
ck2cti.convertMech('../../data/inputs/h2o2.inp',
transportFile='../data/h2o2-duplicate-species-tran.dat',
outName='h2o2_transport_duplicate_species.cti',
quiet=True)
def convert():
ck2cti.convertMech(
'../../data/inputs/h2o2.inp',
transportFile='../data/h2o2-duplicate-species-tran.dat',
outName='h2o2_transport_duplicate_species.cti',
quiet=True)
def convert():
ck2cti.convertMech(
'../../data/inputs/h2o2.inp',
transportFile='../data/h2o2-bad-geometry-tran.dat',
outName='h2o2_transport_bad_geometry.cti',
quiet=True)
