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[1D] Throw an exception if transport state is inconsistent

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The user can enable Soret (thermal) diffusion or multicomponent
transport in either order, but attempts to solve flame problems with
Soret enabled and the mixture-averaged transport approximation will
result in an error
This commit is contained in:
Bryan W. Weber 2018-03-05 18:36:24 -05:00
parent c9b0bce8b9
commit a03afbd56e
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GPG key ID: 3A93E209C87E1FE7
3 changed files with 14 additions and 14 deletions
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7
include/cantera/oneD/StFlow.h
View file

@ -78,7 +78,12 @@ public:
//! set the transport manager
void setTransport(Transport& trans);
void enableSoret(bool withSoret);
//! Enable thermal diffusion, also known as Soret diffusion.
//! Requires that multicomponent transport properties be
//! enabled to carry out calculations.
void enableSoret(bool withSoret) {
m_do_soret = withSoret;
}
bool withSoret() const {
return m_do_soret;
}

2
interfaces/cython/cantera/_cantera.pxd
View file

@ -748,7 +748,7 @@ cdef extern from "cantera/oneD/Sim1D.h":
void setMaxGridPoints(int, size_t) except +translate_exception
size_t maxGridPoints(size_t) except +translate_exception
void setGridMin(int, double) except +translate_exception
void setFixedTemperature(double)
void setFixedTemperature(double) except +translate_exception
void setInterrupt(CxxFunc1*) except +translate_exception
void setTimeStepCallback(CxxFunc1*)
void setSteadyCallback(CxxFunc1*)

19
src/oneD/StFlow.cpp
View file

@ -132,7 +132,7 @@ void StFlow::setupGrid(size_t n, const doublereal* z)
}
}
void StFlow::resetBadValues(double* xg)
void StFlow::resetBadValues(double* xg)
{
double* x = xg + loc();
for (size_t j = 0; j < m_points; j++) {
@ -154,17 +154,6 @@ void StFlow::setTransport(Transport& trans)
}
}
void StFlow::enableSoret(bool withSoret)
{
if (m_do_multicomponent) {
m_do_soret = withSoret;
} else {
throw CanteraError("setTransport",
"Thermal diffusion (the Soret effect) "
"requires using a multicomponent transport model.");
}
}
void StFlow::_getInitialSoln(double* x)
{
for (size_t j = 0; j < m_points; j++) {
@ -195,6 +184,12 @@ void StFlow::setGasAtMidpoint(const doublereal* x, size_t j)
void StFlow::_finalize(const doublereal* x)
{
if (!m_do_multicomponent && m_do_soret) {
throw CanteraError("_finalize",
"Thermal diffusion (the Soret effect) is enabled, and requires "
"using a multicomponent transport model.");
}
size_t nz = m_zfix.size();
bool e = m_do_energy[0];
for (size_t j = 0; j < m_points; j++) {