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Fixed thread safety of TransportFactory

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This commit is contained in:
Ray Speth 2012-05-31 14:58:03 +00:00
parent 2970e0c693
commit 9f6c79eaf8
2 changed files with 41 additions and 114 deletions
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26
include/cantera/transport/TransportFactory.h
View file

@ -124,7 +124,6 @@ public:
return s_factory;
}
//! Deletes the statically malloced instance.
virtual void deleteFactory();
@ -133,12 +132,9 @@ public:
*
* We do not delete statically created single instance of this
* class here, because it would create an infinite loop if
* destructor is called for that single instance. However, we do
* have a pointer to m_integrals that does need to be
* explicitly deleted.
* destructor is called for that single instance.
*/
virtual ~TransportFactory();
virtual ~TransportFactory() {}
//! Make one of several transport models, and return a base class pointer to it.
/*!
@ -323,17 +319,20 @@ private:
* @param tr Reference to the GasTransportParams object that will contain the results.
* @param logfile Reference to an ostream that will contain log information when in
* DEBUG_MODE
*
* @param integrals interpolator for the collision integrals
*/
void fitProperties(GasTransportParams& tr, std::ostream& logfile);
void fitProperties(GasTransportParams& tr, MMCollisionInt& integrals,
std::ostream& logfile);
//! Generate polynomial fits to collision integrals
/*!
* @param logfile Reference to an ostream that will contain log information when in
* DEBUG_MODE
* @param tr Reference to the GasTransportParams object that will contain the results.
* @param integrals interpolator for the collision integrals
*/
void fitCollisionIntegrals(std::ostream& logfile, GasTransportParams& tr);
void fitCollisionIntegrals(std::ostream& logfile, GasTransportParams& tr,
MMCollisionInt& integrals);
//! Prepare to build a new kinetic-theory-based transport manager for low-density gases
@ -380,6 +379,7 @@ private:
*
* @param t Temperature (K)
* @param tr Transport parameters
* @param integrals interpolator for the collision integrals
* @param k index of first species
* @param j index of second species
* @param xk Mole fraction of species k
@ -389,8 +389,9 @@ private:
*
* @note This method is not used currently.
*/
void getBinDiffCorrection(doublereal t, const GasTransportParams& tr, size_t k, size_t j,
doublereal xk, doublereal xj,
void getBinDiffCorrection(doublereal t, const GasTransportParams& tr,
MMCollisionInt& integrals, size_t k,
size_t j, doublereal xk, doublereal xj,
doublereal& fkj, doublereal& fjk);
//! Corrections for polar-nonpolar binary diffusion coefficients
@ -414,9 +415,6 @@ private:
//! Boolean indicating whether to turn on verbose printing
bool m_verbose;
//! Pointer to the collision integrals
MMCollisionInt* m_integrals;
//! Mapping between between the string name
//! for a transport model and the integer name.
std::map<std::string, int> m_models;

129
src/transport/TransportFactory.cpp
View file

@ -75,36 +75,12 @@ public:
//////////////////// class TransportFactory methods //////////////
//====================================================================================================================
// Second-order correction to the binary diffusion coefficients
/*
* Calculate second-order corrections to binary diffusion
* coefficient pair (dkj, djk). At first order, the binary
* diffusion coefficients are independent of composition, and
* d(k,j) = d(j,k). But at second order, there is a weak
* dependence on composition, with the result that d(k,j) !=
* d(j,k). This method computes the multiplier by which the
* first-order binary diffusion coefficient should be multiplied
* to produce the value correct to second order. The expressions
* here are taken from Marerro and Mason,
* J. Phys. Chem. Ref. Data, vol. 1, p. 3 (1972).
*
* @param t Temperature (K)
* @param tr Transport parameters
* @param k index of first species
* @param j index of second species
* @param xmk mole fraction of species k
* @param xmj mole fraction of species j
* @param fkj multiplier for d(k,j)
* @param fjk multiplier for d(j,k)
*
* @note This method is not used currently.
*/
void TransportFactory::getBinDiffCorrection(doublereal t, const GasTransportParams& tr,
void TransportFactory::getBinDiffCorrection(doublereal t,
const GasTransportParams& tr, MMCollisionInt& integrals,
size_t k, size_t j, doublereal xk, doublereal xj,
doublereal& fkj, doublereal& fjk)
{
doublereal w1, w2, wsum, sig1, sig2, sig12, sigratio, sigratio2,
sigratio3, tstar1, tstar2, tstar12,
om22_1, om22_2, om11_12, astar_12, bstar_12, cstar_12,
@ -127,12 +103,12 @@ void TransportFactory::getBinDiffCorrection(doublereal t, const GasTransportPara
tstar2 = Boltzmann * t / tr.eps[j];
tstar12 = Boltzmann * t / sqrt(tr.eps[k] * tr.eps[j]);
om22_1 = m_integrals->omega22(tstar1, tr.delta(k,k));
om22_2 = m_integrals->omega22(tstar2, tr.delta(j,j));
om11_12 = m_integrals->omega11(tstar12, tr.delta(k,j));
astar_12 = m_integrals->astar(tstar12, tr.delta(k,j));
bstar_12 = m_integrals->bstar(tstar12, tr.delta(k,j));
cstar_12 = m_integrals->cstar(tstar12, tr.delta(k,j));
om22_1 = integrals.omega22(tstar1, tr.delta(k,k));
om22_2 = integrals.omega22(tstar2, tr.delta(j,j));
om11_12 = integrals.omega11(tstar12, tr.delta(k,j));
astar_12 = integrals.astar(tstar12, tr.delta(k,j));
bstar_12 = integrals.bstar(tstar12, tr.delta(k,j));
cstar_12 = integrals.cstar(tstar12, tr.delta(k,j));
cnst = sigratio * sqrt(2.0*w2/wsum) * 2.0 *
w1*w1/(wsum * w2);
@ -214,8 +190,7 @@ void TransportFactory::makePolarCorrections(size_t i, size_t j,
for a transport model and the integer name.
*/
TransportFactory::TransportFactory() :
m_verbose(false),
m_integrals(0)
m_verbose(false)
{
m_models["Mix"] = cMixtureAveraged;
m_models["Multi"] = cMulticomponent;
@ -256,22 +231,6 @@ TransportFactory::TransportFactory() :
m_LTImodelMap["moleFractionsExpT"] = LTI_MODEL_MOLEFRACS_EXPT;
}
/*
Destructor
We do not delete statically created single instance of this
class here, because it would create an infinite loop if
destructor is called for that single instance. However, we do
have a pointer to m_integrals that does need to be
explicitly deleted.
*/
TransportFactory::~TransportFactory()
{
if (m_integrals) {
delete m_integrals;
m_integrals = 0;
}
}
// This static function deletes the statically allocated instance.
void TransportFactory::deleteFactory()
@ -586,9 +545,9 @@ void TransportFactory::setupMM(std::ostream& flog, const std::vector<const XML_N
tr.xml->XML_open(flog, "collision_integrals");
}
#endif
m_integrals = new MMCollisionInt;
m_integrals->init(tr.xml, tstar_min, tstar_max, log_level);
fitCollisionIntegrals(flog, tr);
MMCollisionInt integrals;
integrals.init(tr.xml, tstar_min, tstar_max, log_level);
fitCollisionIntegrals(flog, tr, integrals);
#ifdef DEBUG_MODE
if (m_verbose) {
tr.xml->XML_close(flog, "collision_integrals");
@ -600,7 +559,7 @@ void TransportFactory::setupMM(std::ostream& flog, const std::vector<const XML_N
tr.xml->XML_open(flog, "property fits");
}
#endif
fitProperties(tr, flog);
fitProperties(tr, integrals, flog);
#ifdef DEBUG_MODE
if (m_verbose) {
tr.xml->XML_close(flog, "property fits");
@ -680,6 +639,7 @@ void TransportFactory::setupLiquidTransport(std::ostream& flog, thermo_t* thermo
void TransportFactory::initTransport(Transport* tran,
thermo_t* thermo, int mode, int log_level)
{
ScopedLock transportLock(transport_mutex);
const std::vector<const XML_Node*> & transport_database = thermo->speciesData();
GasTransportParams trParam;
@ -743,16 +703,11 @@ void TransportFactory::initLiquidTransport(Transport* tran,
return;
}
//====================================================================================================================
// Generate polynomial fits to collision integrals
/*
* @param logfile Reference to an ostream that will contain log information when in
* DEBUG_MODE
* @param tr Reference to the GasTransportParams object that will contain the results.
*/
void TransportFactory::fitCollisionIntegrals(ostream& logfile, GasTransportParams& tr)
{
void TransportFactory::fitCollisionIntegrals(ostream& logfile,
GasTransportParams& tr,
MMCollisionInt& integrals)
{
vector_fp::iterator dptr;
doublereal dstar;
size_t nsp = tr.nsp_;
@ -790,10 +745,10 @@ void TransportFactory::fitCollisionIntegrals(ostream& logfile, GasTransportParam
if (dptr == tr.fitlist.end()) {
vector_fp ca(degree+1), cb(degree+1), cc(degree+1);
vector_fp co22(degree+1);
m_integrals->fit(logfile, degree, dstar,
DATA_PTR(ca), DATA_PTR(cb), DATA_PTR(cc));
m_integrals->fit_omega22(logfile, degree, dstar,
DATA_PTR(co22));
integrals.fit(logfile, degree, dstar,
DATA_PTR(ca), DATA_PTR(cb), DATA_PTR(cc));
integrals.fit_omega22(logfile, degree, dstar,
DATA_PTR(co22));
tr.omega22_poly.push_back(co22);
tr.astar_poly.push_back(ca);
tr.bstar_poly.push_back(cb);
@ -1217,35 +1172,9 @@ void TransportFactory::getLiquidInteractionsTransportData(const XML_Node& transp
*
*********************************************************/
//====================================================================================================================
// Generate polynomial fits to the viscosity, conductivity, and
// the binary diffusion coefficients
/*
* If CK_mode, then the fits are of the form
* \f[
* \log(\eta(i)) = \sum_{n = 0}^3 a_n(i) (\log T)^n
* \f]
* and
* \f[
* \log(D(i,j)) = \sum_{n = 0}^3 a_n(i,j) (\log T)^n
* \f]
* Otherwise the fits are of the form
* \f[
* \eta(i)/sqrt(k_BT) = \sum_{n = 0}^4 a_n(i) (\log T)^n
* \f]
* and
* \f[
* D(i,j)/sqrt(k_BT)) = \sum_{n = 0}^4 a_n(i,j) (\log T)^n
* \f]
*
* @param tr Reference to the GasTransportParams object that will contain the results.
* @param logfile Reference to an ostream that will contain log information when in
* DEBUG_MODE
*/
void TransportFactory::fitProperties(GasTransportParams& tr, std::ostream& logfile)
void TransportFactory::fitProperties(GasTransportParams& tr,
MMCollisionInt& integrals, std::ostream& logfile)
{
doublereal tstar;
int ndeg = 0;
#ifdef DEBUG_MODE
@ -1313,8 +1242,8 @@ void TransportFactory::fitProperties(GasTransportParams& tr, std::ostream& logfi
tstar = Boltzmann * t/ tr.eps[k];
sqrt_T = sqrt(t);
om22 = m_integrals->omega22(tstar, tr.delta(k,k));
om11 = m_integrals->omega11(tstar, tr.delta(k,k));
om22 = integrals.omega22(tstar, tr.delta(k,k));
om11 = integrals.omega11(tstar, tr.delta(k,k));
// self-diffusion coefficient, without polar
// corrections
@ -1482,7 +1411,7 @@ void TransportFactory::fitProperties(GasTransportParams& tr, std::ostream& logfi
eps = tr.epsilon(j,k);
tstar = Boltzmann * t/eps;
sigma = tr.diam(j,k);
om11 = m_integrals->omega11(tstar, tr.delta(j,k));
om11 = integrals.omega11(tstar, tr.delta(j,k));
diffcoeff = ThreeSixteenths *
sqrt(2.0 * Pi/tr.reducedMass(k,j)) *
@ -1493,7 +1422,7 @@ void TransportFactory::fitProperties(GasTransportParams& tr, std::ostream& logfi
// 2nd order correction
// NOTE: THIS CORRECTION IS NOT APPLIED
doublereal fkj, fjk;
getBinDiffCorrection(t, tr, k, j, 1.0, 1.0, fkj, fjk);
getBinDiffCorrection(t, tr, integrals, k, j, 1.0, 1.0, fkj, fjk);
//diffcoeff *= fkj;