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Converter tests now check some kinetics parameters

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This commit is contained in:
Ray Speth 2012-07-26 20:49:33 +00:00
parent 9801b03a50
commit 7472136e44
1 changed files with 38 additions and 18 deletions
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56
test/python/testConvert.py
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@ -21,6 +21,36 @@ class chemkinConverterTest(utilities.CanteraTest):
for i in range(gas.nSpecies())]
self.assertEqual(compositionA, compositionB)
return ref, gas
def checkThermo(self, ref, gas, temperatures):
for T in temperatures:
ref.set(T=T, P=ct.OneAtm)
gas.set(T=T, P=ct.OneAtm)
ref_cp = ref.cp_R()
gas_cp = gas.cp_R()
ref_h = ref.enthalpies_RT()
gas_h = gas.enthalpies_RT()
ref_s = ref.entropies_R()
gas_s = gas.entropies_R()
for i in range(gas.nSpecies()):
self.assertNear(ref_cp[i], gas_cp[i], 1e-7)
self.assertNear(ref_h[i], gas_h[i], 1e-7)
self.assertNear(ref_s[i], gas_s[i], 1e-7)
def checkKinetics(self, ref, gas, temperatures):
for T in temperatures:
ref.set(T=T, P=ct.OneAtm)
gas.set(T=T, P=ct.OneAtm)
ref_kf = ref.fwdRateConstants()
ref_kr = ref.revRateConstants()
gas_kf = gas.fwdRateConstants()
gas_kr = gas.revRateConstants()
for i in range(gas.nReactions()):
self.assertNear(ref_kf[i], gas_kf[i])
self.assertNear(ref_kr[i], gas_kr[i])
def test_gri30(self):
if os.path.exists('gri30_test.cti'):
os.remove('gri30_test.cti')
@ -29,7 +59,8 @@ class chemkinConverterTest(utilities.CanteraTest):
transportFile='../../data/transport/gri30_tran.dat',
outName='gri30_test.cti', quiet=True)
self.checkConversion('gri30.xml', 'gri30_test.cti')
ref, gas = self.checkConversion('gri30.xml', 'gri30_test.cti')
self.checkKinetics(ref, gas, [300, 1500])
def test_soot(self):
if os.path.exists('soot_test.cti'):
@ -39,7 +70,9 @@ class chemkinConverterTest(utilities.CanteraTest):
thermoFile='../data/soot-therm.dat',
outName='soot_test.cti', quiet=True)
self.checkConversion('../data/soot.xml', 'soot_test.cti')
ref, gas = self.checkConversion('../data/soot.xml', 'soot_test.cti')
self.checkThermo(ref, gas, [300, 1100])
self.checkKinetics(ref, gas, [300, 1100])
def test_missingElement(self):
if os.path.exists('h2o2_missingElement.cti'):
@ -64,19 +97,6 @@ class chemkinConverterTest(utilities.CanteraTest):
thermoFile='../data/nasa9-test-therm.dat',
outName='nasa9_test.cti', quiet=True)
self.checkConversion('../data/nasa9-test.xml', 'nasa9_test.cti')
ref = ct.IdealGasMix('../data/nasa9-test.xml')
gas = ct.IdealGasMix('nasa9_test.cti')
for T in [300, 500, 1200, 5000]:
ref_cp = ref.cp_R()
gas_cp = gas.cp_R()
ref_h = ref.enthalpies_RT()
gas_h = gas.enthalpies_RT()
ref_s = ref.entropies_R()
gas_s = gas.entropies_R()
for i in range(gas.nSpecies()):
self.assertNear(ref_cp[i], gas_cp[i], 1e-7)
self.assertNear(ref_h[i], gas_h[i], 1e-7)
self.assertNear(ref_s[i], gas_s[i], 1e-7)
ref, gas = self.checkConversion('../data/nasa9-test.xml',
'nasa9_test.cti')
self.checkThermo(ref, gas, [300, 500, 1200, 5000])