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WIP on additional caching.

Browse source 
I'll convert this over to the new caching framework once
Ray adds it.
This commit is contained in:
Victor Brunini 2014-03-17 16:03:22 +00:00
parent 3eba9641ab
commit 2b92ad5684
2 changed files with 52 additions and 37 deletions
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9
include/cantera/thermo/HMWSoln.h
View file

@ -1487,6 +1487,7 @@ protected:
* member of the ThermoPhase base class.
*/
void calcDensity();
mutable bool m_density_valid;
public:
//! Returns the current value of the density
@ -3172,7 +3173,7 @@ private:
* natural logarithm of the molality activity coefficients
*/
void s_update_lnMolalityActCoeff() const;
mutable bool s_update_lnMolalityActCoeff_valid;
mutable bool m_s_update_lnMolalityActCoeff_valid;
//! This function calculates the temperature derivative of the
//! natural logarithm of the molality activity coefficients.
@ -3181,7 +3182,7 @@ private:
* coefficient is on the molality scale. It's derivative is too.
*/
void s_update_dlnMolalityActCoeff_dT() const;
mutable bool s_update_dlnMolalityActCoeff_dT_valid;
mutable bool m_s_update_dlnMolalityActCoeff_dT_valid;
/**
* This function calculates the temperature second derivative
@ -3189,7 +3190,7 @@ private:
* coefficients.
*/
void s_update_d2lnMolalityActCoeff_dT2() const;
mutable bool s_update_d2lnMolalityActCoeff_dT2_valid;
mutable bool m_s_update_d2lnMolalityActCoeff_dT2_valid;
/**
* This function calculates the pressure derivative of the
@ -3198,7 +3199,7 @@ private:
* Assumes that the activity coefficients are current.
*/
void s_update_dlnMolalityActCoeff_dP() const;
mutable bool s_update_dlnMolalityActCoeff_dP_valid;
mutable bool m_s_update_dlnMolalityActCoeff_dP_valid;
//! This function will be called to update the internally stored
//! natural logarithm of the molality activity coefficients

80
src/thermo/HMWSoln.cpp
View file

@ -30,6 +30,7 @@ namespace Cantera
HMWSoln::HMWSoln() :
MolalityVPSSTP(),
m_density_valid(false),
m_formPitzer(PITZERFORM_BASE),
m_formPitzerTemp(PITZER_TEMP_CONSTANT),
m_formGC(2),
@ -73,10 +74,10 @@ HMWSoln::HMWSoln() :
CROP_ln_gamma_o_max(3.0),
CROP_ln_gamma_k_min(-5.0),
CROP_ln_gamma_k_max(15.0),
s_update_lnMolalityActCoeff_valid(false),
s_update_dlnMolalityActCoeff_dT_valid(false),
s_update_d2lnMolalityActCoeff_dT2_valid(false),
s_update_dlnMolalityActCoeff_dP_valid(false),
m_s_update_lnMolalityActCoeff_valid(false),
m_s_update_dlnMolalityActCoeff_dT_valid(false),
m_s_update_d2lnMolalityActCoeff_dT2_valid(false),
m_s_update_dlnMolalityActCoeff_dP_valid(false),
m_last_is(-1.0),
m_debugCalc(0)
{
@ -88,6 +89,7 @@ HMWSoln::HMWSoln() :
HMWSoln::HMWSoln(const std::string& inputFile, const std::string& id_) :
MolalityVPSSTP(),
m_density_valid(false),
m_formPitzer(PITZERFORM_BASE),
m_formPitzerTemp(PITZER_TEMP_CONSTANT),
m_formGC(2),
@ -131,10 +133,10 @@ HMWSoln::HMWSoln(const std::string& inputFile, const std::string& id_) :
CROP_ln_gamma_o_max(3.0),
CROP_ln_gamma_k_min(-5.0),
CROP_ln_gamma_k_max(15.0),
s_update_lnMolalityActCoeff_valid(false),
s_update_dlnMolalityActCoeff_dT_valid(false),
s_update_d2lnMolalityActCoeff_dT2_valid(false),
s_update_dlnMolalityActCoeff_dP_valid(false),
m_s_update_lnMolalityActCoeff_valid(false),
m_s_update_dlnMolalityActCoeff_dT_valid(false),
m_s_update_d2lnMolalityActCoeff_dT2_valid(false),
m_s_update_dlnMolalityActCoeff_dP_valid(false),
m_last_is(-1.0),
m_debugCalc(0)
{
@ -147,6 +149,7 @@ HMWSoln::HMWSoln(const std::string& inputFile, const std::string& id_) :
HMWSoln::HMWSoln(XML_Node& phaseRoot, const std::string& id_) :
MolalityVPSSTP(),
m_density_valid(false),
m_formPitzer(PITZERFORM_BASE),
m_formPitzerTemp(PITZER_TEMP_CONSTANT),
m_formGC(2),
@ -190,10 +193,10 @@ HMWSoln::HMWSoln(XML_Node& phaseRoot, const std::string& id_) :
CROP_ln_gamma_o_max(3.0),
CROP_ln_gamma_k_min(-5.0),
CROP_ln_gamma_k_max(15.0),
s_update_lnMolalityActCoeff_valid(false),
s_update_dlnMolalityActCoeff_dT_valid(false),
s_update_d2lnMolalityActCoeff_dT2_valid(false),
s_update_dlnMolalityActCoeff_dP_valid(false),
m_s_update_lnMolalityActCoeff_valid(false),
m_s_update_dlnMolalityActCoeff_dT_valid(false),
m_s_update_d2lnMolalityActCoeff_dT2_valid(false),
m_s_update_dlnMolalityActCoeff_dP_valid(false),
m_last_is(-1.0),
m_debugCalc(0)
{
@ -206,6 +209,7 @@ HMWSoln::HMWSoln(XML_Node& phaseRoot, const std::string& id_) :
HMWSoln::HMWSoln(const HMWSoln& b) :
MolalityVPSSTP(),
m_density_valid(false),
m_formPitzer(PITZERFORM_BASE),
m_formPitzerTemp(PITZER_TEMP_CONSTANT),
m_formGC(2),
@ -249,10 +253,10 @@ HMWSoln::HMWSoln(const HMWSoln& b) :
CROP_ln_gamma_o_max(3.0),
CROP_ln_gamma_k_min(-5.0),
CROP_ln_gamma_k_max(15.0),
s_update_lnMolalityActCoeff_valid(false),
s_update_dlnMolalityActCoeff_dT_valid(false),
s_update_d2lnMolalityActCoeff_dT2_valid(false),
s_update_dlnMolalityActCoeff_dP_valid(false),
m_s_update_lnMolalityActCoeff_valid(false),
m_s_update_dlnMolalityActCoeff_dT_valid(false),
m_s_update_d2lnMolalityActCoeff_dT2_valid(false),
m_s_update_dlnMolalityActCoeff_dP_valid(false),
m_last_is(-1.0),
m_debugCalc(0)
{
@ -424,6 +428,7 @@ operator=(const HMWSoln& b)
HMWSoln::HMWSoln(int testProb) :
MolalityVPSSTP(),
m_density_valid(false),
m_formPitzer(PITZERFORM_BASE),
m_formPitzerTemp(PITZER_TEMP_CONSTANT),
m_formGC(2),
@ -467,10 +472,10 @@ HMWSoln::HMWSoln(int testProb) :
CROP_ln_gamma_o_max(3.0),
CROP_ln_gamma_k_min(-5.0),
CROP_ln_gamma_k_max(15.0),
s_update_lnMolalityActCoeff_valid(false),
s_update_dlnMolalityActCoeff_dT_valid(false),
s_update_d2lnMolalityActCoeff_dT2_valid(false),
s_update_dlnMolalityActCoeff_dP_valid(false),
m_s_update_lnMolalityActCoeff_valid(false),
m_s_update_dlnMolalityActCoeff_dT_valid(false),
m_s_update_d2lnMolalityActCoeff_dT2_valid(false),
m_s_update_dlnMolalityActCoeff_dP_valid(false),
m_last_is(-1.0),
m_debugCalc(0)
{
@ -716,6 +721,10 @@ void HMWSoln::setPressure(doublereal p)
void HMWSoln::calcDensity()
{
if( m_density_valid ) {
return;
}
m_density_valid = true;
double* vbar = &m_pp[0];
getPartialMolarVolumes(vbar);
double* x = &m_tmpV[0];
@ -775,13 +784,17 @@ void HMWSoln::setState_TP(doublereal temp, doublereal pres)
/*
* Store the current pressure
*/
m_Pcurrent = pres;
if(m_Pcurrent != pres) {
m_Pcurrent = pres;
invalidateCachedDataOnStateChange(PRESSURE);
}
/*
* update the standard state thermo
* -> This involves calling the water function and setting the pressure
*/
updateStandardStateThermo();
/*
* Store the internal density of the water SS.
* Note, we would have to do this for all other
@ -1359,10 +1372,10 @@ void HMWSoln::initLengths()
void HMWSoln::s_update_lnMolalityActCoeff() const
{
if(s_update_lnMolalityActCoeff_valid) {
if(m_s_update_lnMolalityActCoeff_valid) {
return;
}
s_update_lnMolalityActCoeff_valid = true;
m_s_update_lnMolalityActCoeff_valid = true;
/*
* Calculate the molalities. Currently, the molalities
@ -2944,10 +2957,10 @@ s_updatePitzer_lnMolalityActCoeff() const
void HMWSoln::s_update_dlnMolalityActCoeff_dT() const
{
if(s_update_dlnMolalityActCoeff_dT_valid) {
if(m_s_update_dlnMolalityActCoeff_dT_valid) {
return;
}
s_update_dlnMolalityActCoeff_dT_valid = true;
m_s_update_dlnMolalityActCoeff_dT_valid = true;
/*
* Zero the unscaled 2nd derivatives
@ -3798,10 +3811,10 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const
void HMWSoln::s_update_d2lnMolalityActCoeff_dT2() const
{
if(s_update_d2lnMolalityActCoeff_dT2_valid) {
if(m_s_update_d2lnMolalityActCoeff_dT2_valid) {
return;
}
s_update_d2lnMolalityActCoeff_dT2_valid = true;
m_s_update_d2lnMolalityActCoeff_dT2_valid = true;
/*
* Zero the unscaled 2nd derivatives
@ -4657,10 +4670,10 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const
void HMWSoln::s_update_dlnMolalityActCoeff_dP() const
{
if(s_update_dlnMolalityActCoeff_dP_valid) {
if(m_s_update_dlnMolalityActCoeff_dP_valid) {
return;
}
s_update_dlnMolalityActCoeff_dP_valid = true;
m_s_update_dlnMolalityActCoeff_dP_valid = true;
m_dlnActCoeffMolaldP_Unscaled.assign(m_kk, 0.0);
s_updatePitzer_dlnMolalityActCoeff_dP();
@ -5884,10 +5897,11 @@ void HMWSoln::invalidateCachedDataOnStateChange(StateVariable changed_var)
m_A_Debye_valid = false;
m_dA_DebyedP_TP_valid = false;
}
s_update_lnMolalityActCoeff_valid = false;
s_update_dlnMolalityActCoeff_dT_valid = false;
s_update_d2lnMolalityActCoeff_dT2_valid = false;
s_update_dlnMolalityActCoeff_dP_valid = false;
m_density_valid = false;
m_s_update_lnMolalityActCoeff_valid = false;
m_s_update_dlnMolalityActCoeff_dT_valid = false;
m_s_update_d2lnMolalityActCoeff_dT2_valid = false;
m_s_update_dlnMolalityActCoeff_dP_valid = false;
MolalityVPSSTP::invalidateCachedDataOnStateChange(changed_var);
}