class TestCustom(TestElementary):
# probe O + H2 <=> H + OH
_cls = ct.CustomReaction
_equation = 'H2 + O <=> H + OH'
_rate_obj = ct.CustomRate(lambda T: 38.7 * T**2.7 * exp(-3150.15428 / T))
_index = 2
_type = "custom-rate-function"
def setUp(self):
# need to overwrite rate to ensure correct type ('method' is not compatible with Func1)
self._rate = lambda T: 38.7 * T**2.7 * exp(-3150.15428 / T)
def test_no_rate(self):
rxn = self._cls(equation=self._equation, kinetics=self.gas)
with self.assertRaisesRegex(
ct.CanteraError, "Custom rate function is not initialized."):
rxn.rate(self.gas.T)
gas2 = ct.Solution(thermo='IdealGas',
kinetics='GasKinetics',
species=self.species,
reactions=[rxn])
gas2.TPX = self.gas.TPX
with self.assertRaisesRegex(
ct.CanteraError, "Custom rate function is not initialized."):
gas2.forward_rate_constants
def test_from_func(self):
f = ct.Func1(self._rate)
rxn = ct.CustomReaction(equation=self._equation,
rate=f,
kinetics=self.gas)
self.check_rxn(rxn)
def test_rate_func(self):
f = ct.Func1(self._rate)
rate = ct.CustomRate(f)
self.assertNear(rate(self.gas.T),
self.gas.forward_rate_constants[self._index])
def test_custom(self):
rxn = ct.CustomReaction(
equation=self._equation,
rate=lambda T: 38.7 * T**2.7 * exp(-3150.15428 / T),
kinetics=self.gas)
self.check_rxn(rxn)
class TestCustom(ReactionTests, utilities.CanteraTest):
# test Custom reaction
# probe O + H2 <=> H + OH
_cls = ct.CustomReaction
_equation = "H2 + O <=> H + OH"
_rate_obj = ct.CustomRate(lambda T: 38.7 * T**2.7 * exp(-3150.15428/T))
_index = 0
_type = "custom-rate-function"
_legacy = False
_yaml = None
def setUp(self):
# need to overwrite rate to ensure correct type ("method" is not compatible with Func1)
super().setUp()
self._rate = lambda T: 38.7 * T**2.7 * exp(-3150.15428/T)
def test_roundtrip(self):
# overload default tester for round trip
pass
def test_raises_invalid_rate(self):
# check exception for instantiation from keywords / invalid rate
with self.assertRaises(TypeError):
self.from_rate(tuple())
with self.assertRaises(TypeError):
self.from_rate("spam")
def test_from_func1(self):
# check instantiation from keywords / rate provided as func1
f = ct.Func1(self._rate)
rxn = self.from_rate(f)
self.check_rxn(rxn)
def test_rate_func(self):
# check result of rate expression
f = ct.Func1(self._rate)
rate = ct.CustomRate(f)
self.assertNear(rate(self.gas.T), self.gas.forward_rate_constants[self._index])
def test_custom_lambda(self):
# check instantiation from keywords / rate provided as lambda function
rxn = self.from_rate(lambda T: 38.7 * T**2.7 * exp(-3150.15428/T))
self.check_rxn(rxn)
def test_rate_func(self):
f = ct.Func1(self._rate)
rate = ct.CustomRate(f)
self.assertNear(rate(self.gas.T), self.gas.forward_rate_constants[self._index])
def test_rate_func(self):
# check result of rate expression
f = ct.Func1(self._rate)
rate = ct.CustomRate(f)
self.assertNear(rate(self.gas.T), self.gas.forward_rate_constants[self._index])