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Get rid of static variables in member functions.

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This commit is contained in:
Victor Brunini 2012-12-17 16:14:14 +00:00
parent ea25de7fe7
commit 95e66cd5ff
10 changed files with 44 additions and 12 deletions
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1
include/cantera/thermo/GibbsExcessVPSSTP.h
View file

@ -423,6 +423,7 @@ public:
* Length = m_kk. units are m^3/kmol.
*/
virtual void getPartialMolarVolumes(doublereal* vbar) const;
virtual const vector_fp & getPartialMolarVolumes() const;
//@}
/// @name Properties of the Standard State of the Species in the Solution

4
include/cantera/thermo/IonsFromNeutralVPSSTP.h
View file

@ -825,6 +825,10 @@ public:
private:
GibbsExcessVPSSTP *geThermo;
// Temporary vectors that I don't want to allocate every time the function is called
mutable vector_fp y;
mutable vector_fp dlnActCoeff_NeutralMolecule;
mutable vector_fp dX_NeutralMolecule;
//! If true then we own the underlying neutral Molecule Phase
/*!

1
include/cantera/thermo/VPSSMgr.h
View file

@ -413,6 +413,7 @@ public:
* units = m^3 / kmol
*/
virtual void getStandardVolumes(doublereal* vol) const;
virtual const vector_fp & getStandardVolumes() const;
//! Return a reference to a vector of the species standard molar volumes
const vector_fp& standardVolumes() const {

1
include/cantera/thermo/VPStandardStateTP.h
View file

@ -269,6 +269,7 @@ public:
* units = m^3 / kmol
*/
virtual void getStandardVolumes(doublereal* vol) const;
virtual const vector_fp & getStandardVolumes() const;
//! Set the temperature of the phase

4
include/cantera/transport/LiquidTransport.h
View file

@ -1271,10 +1271,10 @@ private:
vector_fp m_actCoeff;
//! RHS to the stefan-maxwell equation
// DenseMatrix m_B;
DenseMatrix m_B;
//! Matrix for the stefan maxwell equation.
// DenseMatrix m_A;
DenseMatrix m_A;
//! Current Temperature -> locally stored
/*!

8
src/thermo/GibbsExcessVPSSTP.cpp
View file

@ -184,9 +184,9 @@ void GibbsExcessVPSSTP::setPressure(doublereal p)
void GibbsExcessVPSSTP::calcDensity()
{
static vector_fp vbar(m_kk);
vector_fp vbar = getPartialMolarVolumes();
// double *vbar = &m_pp[0];
getPartialMolarVolumes(&vbar[0]);
// getPartialMolarVolumes(&vbar[0]);
doublereal vtotal = 0.0;
for (size_t i = 0; i < m_kk; i++) {
@ -294,6 +294,10 @@ void GibbsExcessVPSSTP::getPartialMolarVolumes(doublereal* vbar) const
getStandardVolumes(vbar);
}
const vector_fp & GibbsExcessVPSSTP::getPartialMolarVolumes() const
{
return getStandardVolumes();
}
doublereal GibbsExcessVPSSTP::err(const std::string& msg) const

17
src/thermo/IonsFromNeutralVPSSTP.cpp
View file

@ -103,6 +103,10 @@ IonsFromNeutralVPSSTP::IonsFromNeutralVPSSTP(const std::string& inputFile,
}
constructPhaseFile(inputFile, id);
geThermo = dynamic_cast<GibbsExcessVPSSTP*>(neutralMoleculePhase_);
y.resize(numNeutralMoleculeSpecies_,0.0);
size_t numNeutMolSpec = geThermo->nSpecies();
dlnActCoeff_NeutralMolecule.resize(numNeutMolSpec);
dX_NeutralMolecule.resize(numNeutMolSpec);
}
//====================================================================================================================
IonsFromNeutralVPSSTP::IonsFromNeutralVPSSTP(XML_Node& phaseRoot,
@ -127,6 +131,10 @@ IonsFromNeutralVPSSTP::IonsFromNeutralVPSSTP(XML_Node& phaseRoot,
}
constructPhaseXML(phaseRoot, id);
geThermo = dynamic_cast<GibbsExcessVPSSTP*>(neutralMoleculePhase_);
y.resize(numNeutralMoleculeSpecies_,0.0);
size_t numNeutMolSpec = geThermo->nSpecies();
dlnActCoeff_NeutralMolecule.resize(numNeutMolSpec);
dX_NeutralMolecule.resize(numNeutMolSpec);
}
//====================================================================================================================
@ -216,6 +224,9 @@ operator=(const IonsFromNeutralVPSSTP& b)
dlnActCoeffdlnX_diag_NeutralMolecule_ = b.dlnActCoeffdlnX_diag_NeutralMolecule_;
dlnActCoeffdlnN_diag_NeutralMolecule_ = b.dlnActCoeffdlnN_diag_NeutralMolecule_;
dlnActCoeffdlnN_NeutralMolecule_ = b.dlnActCoeffdlnN_NeutralMolecule_;
y = b.y;
dlnActCoeff_NeutralMolecule = b.dlnActCoeff_NeutralMolecule ;
dX_NeutralMolecule = b.dX_NeutralMolecule ;
return *this;
}
@ -960,8 +971,6 @@ void IonsFromNeutralVPSSTP::calcNeutralMoleculeMoleFractions() const
void IonsFromNeutralVPSSTP::getNeutralMoleculeMoleGrads(const doublereal* const dx, doublereal* const dy) const
{
doublereal fmij;
static vector_fp y;
y.resize(numNeutralMoleculeSpecies_,0.0);
doublereal sumy, sumdy;
//check sum dx = 0
@ -1491,8 +1500,8 @@ void IonsFromNeutralVPSSTP::getdlnActCoeffds(const doublereal dTds, const double
}
size_t numNeutMolSpec = geThermo->nSpecies();
static vector_fp dlnActCoeff_NeutralMolecule(numNeutMolSpec);
static vector_fp dX_NeutralMolecule(numNeutMolSpec);
// static vector_fp dlnActCoeff_NeutralMolecule(numNeutMolSpec);
// static vector_fp dX_NeutralMolecule(numNeutMolSpec);
getNeutralMoleculeMoleGrads(DATA_PTR(dXds),DATA_PTR(dX_NeutralMolecule));

9
src/thermo/VPSSMgr.cpp
View file

@ -228,6 +228,15 @@ VPSSMgr::getStandardVolumes(doublereal* vol) const
err("getStandardVolumes");
}
}
const vector_fp &
VPSSMgr::getStandardVolumes() const
{
if (m_useTmpStandardStateStorage) {
return m_Vss;
} else {
err("getStandardVolumes");
}
}
/*****************************************************************/
void

5
src/thermo/VPStandardStateTP.cpp
View file

@ -272,6 +272,11 @@ void VPStandardStateTP::getStandardVolumes(doublereal* vol) const
updateStandardStateThermo();
m_VPSS_ptr->getStandardVolumes(vol);
}
const vector_fp & VPStandardStateTP::getStandardVolumes() const
{
updateStandardStateThermo();
return m_VPSS_ptr->getStandardVolumes();
}
/*
* ----- Thermodynamic Values for the Species Reference States ----

6
src/transport/LiquidTransport.cpp
View file

@ -163,8 +163,8 @@ LiquidTransport& LiquidTransport::operator=(const LiquidTransport& right)
m_actCoeff = right.m_actCoeff;
m_Grad_lnAC = right.m_Grad_lnAC;
m_chargeSpecies = right.m_chargeSpecies;
// m_B = right.m_B;
// m_A = right.m_A;
m_B = right.m_B;
m_A = right.m_A;
m_temp = right.m_temp;
m_press = right.m_press;
m_flux = right.m_flux;
@ -1584,8 +1584,6 @@ void LiquidTransport::update_Grad_lnAC()
void LiquidTransport::stefan_maxwell_solve()
{
doublereal tmp;
static DenseMatrix m_A(m_nsp, m_nsp, 0.0);
static DenseMatrix m_B(m_nsp, m_nDim, 0.0);
m_B.resize(m_nsp, m_nDim, 0.0);
m_A.resize(m_nsp, m_nsp, 0.0);