def test_row_sums(self):
"""
Purpose: The sum of the entries in coeffs_temp should equal temp_dot.
The sum of the entries in each row of coeffs_y should equal
numpy.asarray([ydot]).transpose().
Arguments:
None
Returns:
None
"""
(coeffs_temp,
coeffs_y,
rhs_temp,
rhs_y) = chemReduce.error_constraint_data(self.state,
self.gas, self.mass_stoich_prod, self.atol, self.rtol)
# Test identity for temperature
rhs_temp_test = self.atol[0] + self.rtol[0] * numpy.sum(coeffs_temp)
self.assertAlmostEqual(numpy.max(abs(rhs_temp_test - rhs_temp)), 0,
delta=self.float_tol)
# Test identity for each species
rhs_y_test = numpy.zeros(self.gas.nSpecies())
for j in range(0, self.gas.nSpecies()):
rhs_y_test[j] = (self.atol[j + 1] + self.rtol[j + 1] *
numpy.sum(coeffs_y[j,:]))
self.assertAlmostEqual(numpy.max(abs(rhs_y_test - rhs_y)), 0,
delta=self.float_tol)
def test_naive_summation(self):
"""
Purpose: Calculate the entries of coeffs_temp, coeffs_y, rhs_temp,
rhs_y using loops instead of vectorizing. Will be slow, but should
yield same answer.
Arguments:
None
Returns:
None
"""
molarMass = self.gas.molarMasses()
stoichMatrix = (self.gas.productStoichCoeffs() -
self.gas.reactantStoichCoeffs())
coeffs_y_loop = numpy.zeros((self.gas.nSpecies(),
self.gas.nReactions()))
coeffs_temp_loop = numpy.zeros(self.gas.nReactions())
for i in range(0, self.gas.nReactions()):
coeffs_temp_loop[i] = numpy.sum(
[self.enthalpy_mass[j] * molarMass[j] * stoichMatrix[j,i] *
self.rxn_rate[i] / (self.cp_mass * self.rho)
for j in range(0, self.gas.nSpecies())])
for j in range(0, self.gas.nSpecies()):
coeffs_y_loop[j,i] = (molarMass[j] * stoichMatrix[j,i] *
self.rxn_rate[i] / self.rho)
temp_dot = numpy.sum(coeffs_temp_loop)
y_dot = numpy.sum(coeffs_y_loop, axis=1)
rhs_temp_loop = self.atol[0] + self.rtol[0] * abs(temp_dot)
rhs_y_loop = numpy.zeros(self.gas.nSpecies())
for j in range(0, self.gas.nSpecies()):
rhs_y_loop[j] = self.atol[j+1] + self.rtol[j+1] * abs(y_dot[j])
(coeffs_temp,
coeffs_y,
rhs_temp,
rhs_y) = chemReduce.error_constraint_data(self.state,
self.gas, self.mass_stoich_prod, self.atol, self.rtol)
self.assertAlmostEqual(rhs_temp, rhs_temp_loop, delta=self.float_tol)
self.assertAlmostEqual(numpy.max(abs(rhs_y - rhs_y_loop)), 0,
delta=self.float_tol)
self.assertAlmostEqual(numpy.max(abs(coeffs_temp - coeffs_temp)), 0,
delta=self.float_tol)
self.assertAlmostEqual(numpy.max(abs(coeffs_y - coeffs_y_loop)), 0,
delta=self.float_tol)
def test_col_sums(self):
"""
Purpose: The sum of over each column in coeffs_y, where each row is
scaled by enthalpy_mass[j] / cp_mass, should equal coeffs_t.
Arguments:
None
Returns:
None
"""
(coeffs_temp,
coeffs_y,
_,
_) = chemReduce.error_constraint_data(self.state,
self.gas, self.mass_stoich_prod, self.atol, self.rtol)
row_total = numpy.zeros(self.gas.nReactions())
for j in range(0, self.gas.nSpecies()):
row_total += self.enthalpy_mass[j] * coeffs_y[j] / self.cp_mass
self.assertAlmostEqual(numpy.max(abs(row_total - coeffs_temp)), 0,
delta = self.float_tol)
