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[Python/Transport] Make mobilities accessible via Python interface

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Also add test_mobility and test_update_temperature to TestIonTransport
This commit is contained in:
bangshiuh 2018-10-18 21:32:45 -04:00 • committed by Ray Speth
parent 8e7e27ad62
commit 7986046bdd
4 changed files with 33 additions and 17 deletions
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1
include/cantera/cython/wrappers.h
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@ -112,6 +112,7 @@ TRANSPORT_1D(getMixDiffCoeffsMass)
TRANSPORT_1D(getMixDiffCoeffsMole)
TRANSPORT_1D(getThermalDiffCoeffs)
TRANSPORT_1D(getSpeciesViscosities)
TRANSPORT_1D(getMobilities)
TRANSPORT_2D(getMultiDiffCoeffs)
TRANSPORT_2D(getBinaryDiffCoeffs)

1
interfaces/cython/cantera/_cantera.pxd
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@ -858,6 +858,7 @@ cdef extern from "cantera/cython/wrappers.h":
cdef void tran_getMixDiffCoeffsMole(CxxTransport*, double*) except +translate_exception
cdef void tran_getThermalDiffCoeffs(CxxTransport*, double*) except +translate_exception
cdef void tran_getSpeciesViscosities(CxxTransport*, double*) except +translate_exception
cdef void tran_getMobilities(CxxTransport*, double*) except +translate_exception
cdef void tran_getMultiDiffCoeffs(CxxTransport*, size_t, double*) except +translate_exception
cdef void tran_getBinaryDiffCoeffs(CxxTransport*, size_t, double*) except +translate_exception

41
interfaces/cython/cantera/test/test_transport.py
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@ -141,31 +141,38 @@ class TestTransport(utilities.CanteraTest):
class TestIonTransport(utilities.CanteraTest):
def setUp(self):
p = ct.one_atm
T = 2237
self.p = ct.one_atm
self.T = 2237
self.gas = ct.Solution('ch4_ion.cti')
self.gas.X = 'O2:0.7010, H2O:0.1885, CO2:9.558e-2'
self.gas.TP = T, p
self.gas.TP = self.T, self.p
self.kN2 = self.gas.species_index("N2")
self.kH3Op = self.gas.species_index("H3O+")
def test_binary_diffusion(self):
ld = self.gas.n_species
i = self.gas.species_index("N2")
j = self.gas.species_index("H3O+")
bdiff = self.gas.binary_diff_coeffs[i][j]
# Regression test
self.assertNear(bdiff, 4.258e-4, 1e-4)
bdiff = self.gas.binary_diff_coeffs[self.kN2][self.kH3Op]
self.assertNear(bdiff, 4.258e-4, 1e-4) # Regression test
def test_mixture_diffusion(self):
j = self.gas.species_index("H3O+")
mdiff = self.gas.mix_diff_coeffs[j]
# Regression test
self.assertNear(mdiff, 5.057e-4, 1e-4)
mdiff = self.gas.mix_diff_coeffs[self.kH3Op]
self.assertNear(mdiff, 5.057e-4, 1e-4) # Regression test
def test_O2_anion_mixture_diffusion(self):
j = self.gas.species_index("O2-")
mdiff = self.gas.mix_diff_coeffs[j]
# Regression test
self.assertNear(mdiff, 2.784e-4, 1e-3)
mdiff = self.gas['O2-'].mix_diff_coeffs[0]
self.assertNear(mdiff, 2.784e-4, 1e-3) # Regression test
def test_mobility(self):
mobi = self.gas.mobilities[self.kH3Op]
self.assertNear(mobi, 2.623e-3, 1e-4) # Regression test
def test_update_temperature(self):
bdiff = self.gas.binary_diff_coeffs[self.kN2][self.kH3Op]
mdiff = self.gas.mix_diff_coeffs[self.kH3Op]
mobi = self.gas.mobilities[self.kH3Op]
self.gas.TP = 0.9 * self.T, self.p
self.assertTrue(bdiff != self.gas.binary_diff_coeffs[self.kN2][self.kH3Op])
self.assertTrue(mdiff != self.gas.mix_diff_coeffs[self.kH3Op])
self.assertTrue(mobi != self.gas.mobilities[self.kH3Op])
class TestTransportGeometryFlags(utilities.CanteraTest):

7
interfaces/cython/cantera/transport.pyx
View file

@ -223,6 +223,13 @@ cdef class Transport(_SolutionBase):
def __get__(self):
return get_transport_2d(self, tran_getBinaryDiffCoeffs)
property mobilities:
"""
Electrical mobilities of charged species [m^2/s-V]
"""
def __get__(self):
return get_transport_1d(self, tran_getMobilities)
cdef class DustyGasTransport(Transport):
"""