def test_local_constant_method():
# Test user defined method
# Within valid T range
obj = TDependentProperty(extrapolation='linear')
constant = 100.
T1 = T = 300.
T2 = 310.
dT = T2 - T1
obj.add_method(constant)
assert_close(obj.T_dependent_property(T), constant)
for order in (1, 2, 3):
assert_close(obj.T_dependent_property_derivative(T, order), 0.)
assert_close(obj.T_dependent_property_integral(T1, T2), constant * dT)
assert_close(obj.T_dependent_property_integral_over_T(T1, T2), constant * log(T2 / T1))
# Extrapolate
Tmin = 350.
Tmax = 400.
obj.add_method(constant, Tmin, Tmax)
obj.extrapolation = 'constant'
assert_close(obj.T_dependent_property(T), constant)
for order in (1, 2, 3):
assert_close(obj.T_dependent_property_derivative(T, order), 0., atol=1e-6)
assert_close(obj.T_dependent_property_integral(T1, T2), constant * dT)
assert_close(obj.T_dependent_property_integral_over_T(T1, T2), constant * log(T2 / T1))
# Test extrapolation on both sides
assert_close(obj.T_dependent_property_integral(Tmin - 50, Tmax + 50), constant * (100 + Tmax - Tmin))
assert_close(obj.T_dependent_property_integral_over_T(Tmin - 50, Tmax + 50), constant * log((Tmax + 50) / (Tmin - 50)))
# Do not allow extrapolation
obj.extrapolation = None
obj.add_method(constant, Tmin, Tmax)
assert obj.T_dependent_property(T) is None
def test_local_method():
# Test user defined method
# Within valid T range
obj = TDependentProperty(extrapolation='linear')
T = 300.
Tmin = 200.
Tmax = 400.
T1 = 300.
T2 = 310.
dT = T2 - T1
f = lambda T: T*T / 1e6
f_der = lambda T: T / 1e6
f_der2 = lambda T: 1. / 1e6
f_der3 = lambda T: 0. / 1e6
f_int = lambda T1, T2: (T2*T2*T2 - T1*T1*T1) / 3. / 1e6
f_int_over_T = lambda T1, T2: (T2*T2 - T1*T1) / 2. / 1e6
obj.add_method(f, Tmin, Tmax, f_der, f_der2, f_der3, f_int, f_int_over_T)
assert_close(obj.T_dependent_property(T), f(T))
assert_close(obj.T_dependent_property_derivative(T, 1), f_der(T))
assert_close(obj.T_dependent_property_derivative(T, 2), f_der2(T))
assert_close(obj.T_dependent_property_derivative(T, 3), f_der3(T))
assert_close(obj.T_dependent_property_integral(T1, T2), f_int(T1, T2))
assert_close(obj.T_dependent_property_integral_over_T(T1, T2), f_int_over_T(T1, T2))
# Extrapolate
Tmin = 300. + 1e-3
obj.add_method(f, Tmin, Tmax)
# obj.RAISE_PROPERTY_CALCULATION_ERROR = True
# obj.CASRN = 'CASRN'
assert_close(obj.T_dependent_property(T), f(T))
for order in (1, 2, 3):
assert obj.T_dependent_property_derivative(T, order) is not None
assert_close(obj.T_dependent_property_integral(T1, T2), f_int(T1, T2))
assert_close(obj.T_dependent_property_integral_over_T(T1, T2), f_int_over_T(T1, T2))
# Do not allow extrapolation
obj.extrapolation = None
obj.add_method(f, Tmin, Tmax)
assert obj.T_dependent_property(T) is None
assert obj.T_dependent_property_integral(T1, T2) is None
assert obj.T_dependent_property_integral_over_T(T1, T2) is None
def test_derivative():
obj = TDependentProperty(extrapolation='linear')
Tmin = 300
Tmax = 400
f = lambda T: T*T*T
f_der = lambda T: 3*T*T
f_der2 = lambda T: 6*T
f_der3 = lambda T: 6
obj.add_method(f=f, f_der=f_der, f_der2=f_der2, f_der3=f_der3, Tmin=Tmin, Tmax=Tmax)
T_in_range = (Tmin + Tmax) * 0.5
for order, fun in zip([1,2,3], [f_der, f_der2, f_der3]):
# Within valid T range
assert_close(obj.T_dependent_property_derivative(T_in_range, order=order), fun(T_in_range))
# Extrapolate left
T = Tmin - 50
obj.RAISE_PROPERTY_CALCULATION_ERROR = True
assert_close(obj.T_dependent_property_derivative(T, order=1), f_der(Tmin))
# Extrapolate right
T = Tmax + 50
assert_close(obj.T_dependent_property_derivative(T, order=1), f_der(Tmax))