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

Convert recent changes to new caching method.

Browse source
This commit is contained in:
Victor Brunini 2014-03-18 18:52:29 +00:00
parent a92d0ef03e
commit a704df09d8
6 changed files with 87 additions and 200 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

11
include/cantera/thermo/HMWSoln.h
View file

@ -1487,7 +1487,6 @@ protected:
* member of the ThermoPhase base class.
*/
void calcDensity();
mutable bool m_density_valid;
public:
//! Returns the current value of the density
@ -2363,9 +2362,6 @@ public:
*/
int m_form_A_Debye;
protected:
virtual void invalidateCachedDataOnStateChange(StateVariable changed_var);
private:
/**
* A_Debye -> this expression appears on the top of the
@ -2398,10 +2394,7 @@ private:
* dw = C_0 * M_0 (density of water) (kg/m3)
* = 1.0E3 at 25C
*/
mutable bool m_A_Debye_valid;
mutable double m_A_Debye;
mutable bool m_dA_DebyedP_TP_valid;
mutable double m_dA_DebyedP_TP;
//! Water standard state calculator
/*!
@ -3173,7 +3166,6 @@ private:
* natural logarithm of the molality activity coefficients
*/
void s_update_lnMolalityActCoeff() const;
mutable bool m_s_update_lnMolalityActCoeff_valid;
//! This function calculates the temperature derivative of the
//! natural logarithm of the molality activity coefficients.
@ -3182,7 +3174,6 @@ private:
* coefficient is on the molality scale. It's derivative is too.
*/
void s_update_dlnMolalityActCoeff_dT() const;
mutable bool m_s_update_dlnMolalityActCoeff_dT_valid;
/**
* This function calculates the temperature second derivative
@ -3190,7 +3181,6 @@ private:
* coefficients.
*/
void s_update_d2lnMolalityActCoeff_dT2() const;
mutable bool m_s_update_d2lnMolalityActCoeff_dT2_valid;
/**
* This function calculates the pressure derivative of the
@ -3199,7 +3189,6 @@ private:
* Assumes that the activity coefficients are current.
*/
void s_update_dlnMolalityActCoeff_dP() const;
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

8
include/cantera/thermo/MaskellSolidSolnPhase.h
View file

@ -275,9 +275,6 @@ public:
void set_h_mix(const doublereal hmix) { h_mixing = hmix; }
protected:
void invalidateCachedDataOnStateChange(StateVariable changed_var);
private:
/**
* Value of the reference pressure for all species in this phase.
@ -299,11 +296,6 @@ private:
* m_cp0_R, m_g0_RT, m_s0_R.
*/
void _updateThermo() const;
mutable bool m_updateThermo_valid;
//! Vector containing the last computed activity coefficients at T = m_tlast and r = last_r
mutable std::vector<doublereal> m_activity_coeffs;
mutable bool m_activity_coeffs_valid;
//! Vector containing the species reference enthalpies at T = m_tlast
mutable vector_fp m_h0_RT;

45
include/cantera/thermo/Phase.h
View file

@ -552,14 +552,7 @@ public:
throw CanteraError("Phase::setDensity()", "density must be positive");
}
m_dens = density_;
if(density_ != m_last_dens) {
invalidateCachedDataOnStateChange(DENSITY);
m_last_dens = density_;
}
}
private:
mutable doublereal m_last_dens;
public:
//! Set the internally stored molar density (kmol/m^3) of the phase.
//! @param[in] molarDensity Input molar density (kmol/m^3).
@ -573,15 +566,8 @@ public:
"temperature must be positive");
}
m_temp = temp;
if(temp != m_last_temp) {
invalidateCachedDataOnStateChange(TEMPERATURE);
m_last_temp = temp;
}
}
//@}
private:
mutable doublereal m_last_temp;
public:
//! @name Mean Properties
//!@{
@ -705,35 +691,6 @@ public:
}
protected:
//! Virtual function to simplify caching of extensive computations in child classes.
/*!
* The intent is that this virtual function should be called any time a state variable
* of a ThermoPhase class is changed the class can mark any cached data that is expensive to
* compute as invalid. For example:
* class APhase : public Phase
* {
* public:
* void update_activity_coeffs(); // Expensive function that only needs to run on state change
* void update_activity_coeffs_dT(); // Another expensive function
* private:
* // Variables that track whether the state has been changed since the expensive functions
* // were last run to avoid unnecessary work. These will be updated to false by invalidateCachedDataOnStateChange()
* bool m_activity_coeffs_valid;
* bool m_activity_coeffs_dT_valid;
* }
*
* This is somewhat easier to manage than having each individual expensive function track the last T, P, X_i, etc
* that it was calculated at to determine whether it is safe to skip the expensive computation.
*/
enum StateVariable {
PRESSURE,
TEMPERATURE,
SPECIES,
DENSITY,
OTHER
};
virtual void invalidateCachedDataOnStateChange(StateVariable changed_var) {}
mutable ValueCache m_cache;
//! Set the molecular weight of a single species to a given value
@ -787,8 +744,6 @@ private:
mutable vector_fp m_ym;
mutable vector_fp m_y; //!< species mass fractions
mutable vector_fp m_last_y;
bool massFractionsChanged();
vector_fp m_molwts; //!< species molecular weights (kg kmol-1)

146
src/thermo/HMWSoln.cpp
View file

@ -30,7 +30,6 @@ namespace Cantera
HMWSoln::HMWSoln() :
MolalityVPSSTP(),
m_density_valid(false),
m_formPitzer(PITZERFORM_BASE),
m_formPitzerTemp(PITZER_TEMP_CONSTANT),
m_formGC(2),
@ -39,10 +38,7 @@ HMWSoln::HMWSoln() :
m_TempPitzerRef(298.15),
m_IionicMolalityStoich(0.0),
m_form_A_Debye(A_DEBYE_WATER),
m_A_Debye_valid(false),
m_A_Debye(1.172576), // units = sqrt(kg/gmol)
m_dA_DebyedP_TP_valid(false),
m_dA_DebyedP_TP(-1.0),
m_waterSS(0),
m_densWaterSS(1000.),
m_waterProps(0),
@ -74,10 +70,6 @@ HMWSoln::HMWSoln() :
CROP_ln_gamma_o_max(3.0),
CROP_ln_gamma_k_min(-5.0),
CROP_ln_gamma_k_max(15.0),
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)
{
@ -89,7 +81,6 @@ 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),
@ -98,10 +89,7 @@ HMWSoln::HMWSoln(const std::string& inputFile, const std::string& id_) :
m_TempPitzerRef(298.15),
m_IionicMolalityStoich(0.0),
m_form_A_Debye(A_DEBYE_WATER),
m_A_Debye_valid(false),
m_A_Debye(1.172576), // units = sqrt(kg/gmol)
m_dA_DebyedP_TP_valid(false),
m_dA_DebyedP_TP(-1.0),
m_waterSS(0),
m_densWaterSS(1000.),
m_waterProps(0),
@ -133,10 +121,6 @@ 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),
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)
{
@ -149,7 +133,6 @@ 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),
@ -158,10 +141,7 @@ HMWSoln::HMWSoln(XML_Node& phaseRoot, const std::string& id_) :
m_TempPitzerRef(298.15),
m_IionicMolalityStoich(0.0),
m_form_A_Debye(A_DEBYE_WATER),
m_A_Debye_valid(false),
m_A_Debye(1.172576), // units = sqrt(kg/gmol)
m_dA_DebyedP_TP_valid(false),
m_dA_DebyedP_TP(-1.0),
m_waterSS(0),
m_densWaterSS(1000.),
m_waterProps(0),
@ -193,10 +173,6 @@ 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),
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)
{
@ -209,7 +185,6 @@ 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),
@ -218,10 +193,7 @@ HMWSoln::HMWSoln(const HMWSoln& b) :
m_TempPitzerRef(298.15),
m_IionicMolalityStoich(0.0),
m_form_A_Debye(A_DEBYE_WATER),
m_A_Debye_valid(false),
m_A_Debye(1.172576), // units = sqrt(kg/gmol)
m_dA_DebyedP_TP_valid(false),
m_dA_DebyedP_TP(-1.0),
m_waterSS(0),
m_densWaterSS(1000.),
m_waterProps(0),
@ -253,10 +225,6 @@ 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),
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)
{
@ -428,7 +396,6 @@ 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),
@ -437,10 +404,7 @@ HMWSoln::HMWSoln(int testProb) :
m_TempPitzerRef(298.15),
m_IionicMolalityStoich(0.0),
m_form_A_Debye(A_DEBYE_WATER),
m_A_Debye_valid(false),
m_A_Debye(1.172576), // units = sqrt(kg/gmol)
m_dA_DebyedP_TP_valid(false),
m_dA_DebyedP_TP(-1.0),
m_waterSS(0),
m_densWaterSS(1000.),
m_waterProps(0),
@ -472,10 +436,6 @@ 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),
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)
{
@ -721,10 +681,18 @@ void HMWSoln::setPressure(doublereal p)
void HMWSoln::calcDensity()
{
if( m_density_valid ) {
static const int cacheId = m_cache.getId();
CachedScalar cached = m_cache.getScalar(cacheId);
const doublereal tnow = temperature();
const doublereal pnow = pressure();
const int stateNumNow = stateMFNumber();
if( cached.state1 == tnow && cached.state2 == pnow && cached.stateNum == stateNumNow ) {
return;
}
m_density_valid = true;
cached.state1 = tnow;
cached.state2 = pnow;
cached.stateNum = stateNumNow;
double* vbar = &m_pp[0];
getPartialMolarVolumes(vbar);
double* x = &m_tmpV[0];
@ -784,10 +752,7 @@ void HMWSoln::setState_TP(doublereal temp, doublereal pres)
/*
* Store the current pressure
*/
if(m_Pcurrent != pres) {
m_Pcurrent = pres;
invalidateCachedDataOnStateChange(PRESSURE);
}
m_Pcurrent = pres;
/*
* update the standard state thermo
@ -1074,11 +1039,6 @@ doublereal HMWSoln::satPressure(doublereal t) {
double HMWSoln::A_Debye_TP(double tempArg, double presArg) const
{
if(m_A_Debye_valid) {
return m_A_Debye;
}
m_A_Debye_valid = true;
double T = temperature();
double A;
if (tempArg != -1.0) {
@ -1089,6 +1049,14 @@ double HMWSoln::A_Debye_TP(double tempArg, double presArg) const
P = presArg;
}
static const int cacheId = m_cache.getId();
CachedScalar cached = m_cache.getScalar(cacheId);
if(cached.state1 == T && cached.state2 == P) {
return m_A_Debye;
}
cached.state1 = T;
cached.state2 = P;
switch (m_form_A_Debye) {
case A_DEBYE_CONST:
A = m_A_Debye;
@ -1140,18 +1108,22 @@ double HMWSoln::dA_DebyedP_TP(double tempArg, double presArg) const
if (presArg != -1.0) {
P = presArg;
}
double dAdP;
static const int cacheId = m_cache.getId();
CachedScalar cached = m_cache.getScalar(cacheId);
switch (m_form_A_Debye) {
case A_DEBYE_CONST:
dAdP = 0.0;
break;
case A_DEBYE_WATER:
if(!m_dA_DebyedP_TP_valid) {
dAdP = m_waterProps->ADebye(T, P, 3);
m_dA_DebyedP_TP = dAdP;
m_dA_DebyedP_TP_valid = true;
if( cached.state1 == T && cached.state2 == P ) {
dAdP = cached.value;
} else {
dAdP = m_dA_DebyedP_TP;
cached.state1 = T;
cached.state2 = P;
dAdP = m_waterProps->ADebye(T, P, 3);
cached.value = dAdP;
}
break;
default:
@ -1372,10 +1344,16 @@ void HMWSoln::initLengths()
void HMWSoln::s_update_lnMolalityActCoeff() const
{
if(m_s_update_lnMolalityActCoeff_valid) {
return;
static const int cacheId = m_cache.getId();
CachedScalar cached = m_cache.getScalar(cacheId);
const doublereal tnow = temperature();
const doublereal pnow = pressure();
const int stateNumNow = stateMFNumber();
if( cached.state1 == tnow && cached.state2 == pnow && cached.stateNum == stateNumNow ) {
return;
}
m_s_update_lnMolalityActCoeff_valid = true;
cached.state1 = tnow;
cached.state2 = pnow;
/*
* Calculate the molalities. Currently, the molalities
@ -2957,10 +2935,16 @@ s_updatePitzer_lnMolalityActCoeff() const
void HMWSoln::s_update_dlnMolalityActCoeff_dT() const
{
if(m_s_update_dlnMolalityActCoeff_dT_valid) {
return;
static const int cacheId = m_cache.getId();
CachedScalar cached = m_cache.getScalar(cacheId);
const doublereal tnow = temperature();
const doublereal pnow = pressure();
const int stateNumNow = stateMFNumber();
if( cached.state1 == tnow && cached.state2 == pnow && cached.stateNum == stateNumNow ) {
return;
}
m_s_update_dlnMolalityActCoeff_dT_valid = true;
cached.state1 = tnow;
cached.state2 = pnow;
/*
* Zero the unscaled 2nd derivatives
@ -3811,10 +3795,16 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const
void HMWSoln::s_update_d2lnMolalityActCoeff_dT2() const
{
if(m_s_update_d2lnMolalityActCoeff_dT2_valid) {
return;
static const int cacheId = m_cache.getId();
CachedScalar cached = m_cache.getScalar(cacheId);
const doublereal tnow = temperature();
const doublereal pnow = pressure();
const int stateNumNow = stateMFNumber();
if( cached.state1 == tnow && cached.state2 == pnow && cached.stateNum == stateNumNow ) {
return;
}
m_s_update_d2lnMolalityActCoeff_dT2_valid = true;
cached.state1 = tnow;
cached.state2 = pnow;
/*
* Zero the unscaled 2nd derivatives
@ -4670,10 +4660,16 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const
void HMWSoln::s_update_dlnMolalityActCoeff_dP() const
{
if(m_s_update_dlnMolalityActCoeff_dP_valid) {
return;
static const int cacheId = m_cache.getId();
CachedScalar cached = m_cache.getScalar(cacheId);
const doublereal tnow = temperature();
const doublereal pnow = pressure();
const int stateNumNow = stateMFNumber();
if( cached.state1 == tnow && cached.state2 == pnow && cached.stateNum == stateNumNow ) {
return;
}
m_s_update_dlnMolalityActCoeff_dP_valid = true;
cached.state1 = tnow;
cached.state2 = pnow;
m_dlnActCoeffMolaldP_Unscaled.assign(m_kk, 0.0);
s_updatePitzer_dlnMolalityActCoeff_dP();
@ -5891,20 +5887,6 @@ doublereal HMWSoln::s_NBS_CLM_dlnMolalityActCoeff_dP() const
return - dAdP * sqrtIs /(1.0 + 1.5 * sqrtIs);
}
void HMWSoln::invalidateCachedDataOnStateChange(StateVariable changed_var)
{
if( changed_var == PRESSURE || changed_var == TEMPERATURE ) {
m_A_Debye_valid = false;
m_dA_DebyedP_TP_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);
}
int HMWSoln::debugPrinting()
{
#ifdef DEBUG_MODE

49
src/thermo/MaskellSolidSolnPhase.cpp
View file

@ -23,9 +23,6 @@ namespace Cantera
MaskellSolidSolnPhase::MaskellSolidSolnPhase() :
m_Pref(OneAtm),
m_Pcurrent(OneAtm),
m_updateThermo_valid(false),
m_activity_coeffs(2),
m_activity_coeffs_valid(false),
m_h0_RT(2),
m_cp0_R(2),
m_g0_RT(2),
@ -39,9 +36,6 @@ MaskellSolidSolnPhase::MaskellSolidSolnPhase() :
MaskellSolidSolnPhase::MaskellSolidSolnPhase(const MaskellSolidSolnPhase& b) :
m_Pref(OneAtm),
m_Pcurrent(OneAtm),
m_updateThermo_valid(false),
m_activity_coeffs(2),
m_activity_coeffs_valid(false),
m_h0_RT(2),
m_cp0_R(2),
m_g0_RT(2),
@ -160,8 +154,17 @@ void MaskellSolidSolnPhase::
getActivityCoefficients(doublereal* ac) const
{
_updateThermo();
if( !m_activity_coeffs_valid ) {
m_activity_coeffs_valid = true;
static const int cacheId = m_cache.getId();
CachedArray cached = m_cache.getArray(cacheId);
const doublereal tnow = temperature();
const doublereal pnow = pressure();
const int stateNumNow = stateMFNumber();
if( cached.state1 != temperature() || cached.state2 != pressure() || cached.stateNum != stateNumNow ) {
cached.state1 = tnow;
cached.state2 = pnow;
cached.stateNum = stateNumNow;
cached.value.resize(2);
const doublereal r = moleFraction(product_species_index);
const doublereal pval = p(r);
const doublereal fmval = fm(r);
@ -170,10 +173,10 @@ getActivityCoefficients(doublereal* ac) const
const doublereal A = (std::pow(1 - rfm, pval) * std::pow(rfm, pval) * std::pow(r - rfm, 1 - pval)) /
(std::pow(1 - r - rfm, 1 + pval) * (1 - r));
const doublereal B = pval * h_mixing / RT;
m_activity_coeffs[product_species_index] = A * std::exp(B);
m_activity_coeffs[reactant_species_index] = 1 / (A * r * (1-r) ) * std::exp(-B);
cached.value[product_species_index] = A * std::exp(B);
cached.value[reactant_species_index] = 1 / (A * r * (1-r) ) * std::exp(-B);
}
std::copy(m_activity_coeffs.begin(), m_activity_coeffs.end(), ac);
std::copy(cached.value.begin(), cached.value.end(), ac);
}
void MaskellSolidSolnPhase::
@ -327,19 +330,20 @@ void MaskellSolidSolnPhase::initThermoXML(XML_Node& phaseNode, const std::string
void MaskellSolidSolnPhase::_updateThermo() const
{
assert(m_kk == 2);
if (!m_updateThermo_valid) {
m_updateThermo_valid = true;
/*
* Update the thermodynamic functions of the reference state.
*/
doublereal tnow = temperature();
static const int cacheId = m_cache.getId();
CachedScalar cached = m_cache.getScalar(cacheId);
/*
* Update the thermodynamic functions of the reference state.
*/
doublereal tnow = temperature();
if( cached.state1 != tnow )
{
cached.state1 = tnow;
m_spthermo->update(tnow, DATA_PTR(m_cp0_R), DATA_PTR(m_h0_RT),
DATA_PTR(m_s0_R));
m_tlast = tnow;
for (size_t k = 0; k < m_kk; k++) {
m_g0_RT[k] = m_h0_RT[k] - m_s0_R[k];
}
m_tlast = tnow;
}
}
@ -360,11 +364,4 @@ doublereal MaskellSolidSolnPhase::p(const doublereal r) const
return (1 - 2*r) / std::sqrt(sval*sval - 4 * sval * r + 4 * sval * r * r);
}
void MaskellSolidSolnPhase::invalidateCachedDataOnStateChange(StateVariable changed_var)
{
m_updateThermo_valid = false;
m_activity_coeffs_valid = false;
VPStandardStateTP::invalidateCachedDataOnStateChange(changed_var);
}
} // end namespace Cantera

28
src/thermo/Phase.cpp
View file

@ -332,9 +332,6 @@ void Phase::setMoleFractions(const doublereal* const x)
*/
m_mmw = sum/norm;
m_stateNum++;
if(massFractionsChanged()) {
invalidateCachedDataOnStateChange(SPECIES);
}
}
void Phase::setMoleFractions_NoNorm(const doublereal* const x)
@ -345,9 +342,6 @@ void Phase::setMoleFractions_NoNorm(const doublereal* const x)
transform(m_ym.begin(), m_ym.begin() + m_kk, m_molwts.begin(),
m_y.begin(), multiplies<double>());
m_stateNum++;
if(massFractionsChanged()) {
invalidateCachedDataOnStateChange(SPECIES);
}
}
void Phase::setMoleFractionsByName(compositionMap& xMap)
@ -382,9 +376,6 @@ void Phase::setMassFractions(const doublereal* const y)
m_ym.begin(), multiplies<double>());
m_mmw = 1.0 / accumulate(m_ym.begin(), m_ym.end(), 0.0);
m_stateNum++;
if(massFractionsChanged()) {
invalidateCachedDataOnStateChange(SPECIES);
}
}
void Phase::setMassFractions_NoNorm(const doublereal* const y)
@ -396,9 +387,6 @@ void Phase::setMassFractions_NoNorm(const doublereal* const y)
sum = accumulate(m_ym.begin(), m_ym.end(), 0.0);
m_mmw = 1.0/sum;
m_stateNum++;
if( massFractionsChanged() ) {
invalidateCachedDataOnStateChange(SPECIES);
}
}
void Phase::setMassFractionsByName(compositionMap& yMap)
@ -421,22 +409,6 @@ void Phase::setMassFractionsByName(const std::string& y)
setMassFractionsByName(c);
}
bool Phase::massFractionsChanged()
{
if(m_last_y.size() != m_kk) {
m_last_y.resize(m_kk);
std::fill(m_last_y.begin(), m_last_y.end(), -1.0);
}
bool result = false;
for(size_t k=0; k < m_kk; ++k) {
if(m_y[k] != m_last_y[k]) {
result = true;
}
}
return result;
}
void Phase::setState_TRX(doublereal t, doublereal dens, const doublereal* x)
{
setMoleFractions(x);