research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

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
Show stats Download patch file Download diff file Expand all files Collapse all files

9
include/cantera/thermo/HMWSoln.h
View file

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

80
src/thermo/HMWSoln.cpp
View file

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