Removed some deprecated code

This commit is contained in:
Ray Speth 2012-07-16 22:19:10 +00:00
parent 8611f43eb0
commit b5b536ff83
23 changed files with 8 additions and 289 deletions

View file

@ -49,32 +49,6 @@ public:
*/
void getchr(char& ch);
//! Returns string 'aline' stripped of leading and trailing white
//! space.
/*!
* White space is defined by the ISO C function isspace(), and
* includes tabs, spaces, \\n. \\r, \\v, and \\f.
*
* @param aline Input line to be stripped
*
* @return Returns a string stripped of leading and trailing white
* space.
*
* @deprecated Use stripws (in stringUtils.h)
*/
DEPRECATED(std::string strip(const std::string& aline) const);
//! Looks for a substring within 'aline' enclosed in double
//! quotes, and returns this substring (without the quotes) if
//! found. If not, an empty string is returned.
/*!
*
* @param aline This is the input string to be searched
*
* @deprecated why is this a class method?
*/
DEPRECATED(std::string inquotes(const std::string& aline) const);
//! Searches a string for the first occurrence of a valid
//! quoted string.
/*!

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@ -554,22 +554,6 @@ public:
// These methods are meant for internal use.
//! Update the locally-stored composition within this object
//! to match the current compositions of the phase objects.
/*!
*
* @deprecated 'update' is confusing within this context.
* Switching to the terminology 'uploadFrom'
* and 'downloadTo'. uploadFrom means to
* query the underlying ThermoPhase objects and
* fill in the resulting information within
* this object. downloadTo means to take information
* from this object and put it into the underlying
* ThermoPhase objects.
* switch to uploadMoleFractionsFromPhases();
*/
DEPRECATED(void updateMoleFractions());
//! Update the locally-stored composition within this object
//! to match the current compositions of the phase objects.
/*!

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@ -299,23 +299,6 @@ public:
return m_cp0_R;
}
//! Set the potential energy of species k
/*!
* @param k species index
* @param pe Potential energy (J kmol-1).
*/
virtual void setPotentialEnergy(int k, doublereal pe) {
m_pe[k] = pe;
}
//! Returns the potential energy of species k
/*!
* @param k species index
*/
virtual doublereal potentialEnergy(int k) const {
return m_pe[k];
}
//! Initialize the ThermoPhase object after all species have been set up
/*!
* @internal Initialize.
@ -433,12 +416,6 @@ protected:
//! Temporary storage for dimensionless reference state entropies
mutable vector_fp m_s0_R;
//! Currently unused
/*
* @deprecated
*/
mutable vector_fp m_pe;
//! Temporary array containing internally calculated partial pressures
mutable vector_fp m_pp;

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@ -1669,17 +1669,6 @@ protected:
*/
WaterProps* m_waterProps;
/**
* Vector containing the species reference exp(-G/RT) functions
* at T = m_tlast
*/
mutable vector_fp m_expg0_RT;
/**
* Vector of potential energies for the species.
*/
mutable vector_fp m_pe;
/**
* Temporary array used in equilibrium calculations
*/

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@ -2521,17 +2521,6 @@ private:
*/
WaterProps* m_waterProps;
/**
* Vector containing the species reference exp(-G/RT) functions
* at T = m_tlast
*/
mutable vector_fp m_expg0_RT;
/**
* Vector of potential energies for the species.
*/
mutable vector_fp m_pe;
/**
* Temporary array used in equilibrium calculations
*/

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@ -803,19 +803,6 @@ public:
return m_g0_RT;
}
//! Returns a reference to the exponent of the dimensionless reference state Gibbs Free energy vector.
/*!
* This function is part of the layer that checks/recalculates the reference
* state thermo functions.
*/
const vector_fp& expGibbs_RT_ref() const {
_updateThermo();
for (size_t k = 0; k != m_kk; k++) {
m_expg0_RT[k] = std::exp(m_g0_RT[k]);
}
return m_expg0_RT;
}
//! Returns a reference to the dimensionless reference state Entropy vector.
/*!
* This function is part of the layer that checks/recalculates the reference
@ -923,18 +910,8 @@ protected:
//! Temporary storage for dimensionless reference state entropies
mutable vector_fp m_s0_R;
//! currently unsed
/*!
* @deprecated
*/
mutable vector_fp m_expg0_RT;
//! Currently unused
/*
* @deprecated
*/
mutable vector_fp m_pe;
//! Temporary array containing internally calculated partial pressures
mutable vector_fp m_pp;

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@ -912,17 +912,6 @@ public:
private:
/**
* Vector containing the species reference exp(-G/RT) functions
* at T = m_tlast
*/
mutable vector_fp m_expg0_RT;
/**
* Vector of potential energies for the species.
*/
mutable vector_fp m_pe;
/**
* Temporary array used in equilibrium calculations
*/

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@ -855,15 +855,6 @@ public:
return m_g0_RT;
}
/**
* Returns a reference to the vector of nondimensional
* enthalpies of the reference state at the current temperature.
* Real reason for its existence is that it also checks
* to see if a recalculation of the reference thermodynamics
* functions needs to be done.
*/
const vector_fp& expGibbs_RT_ref() const;
/**
* Returns a reference to the vector of nondimensional
* enthalpies of the reference state at the current temperature.

View file

@ -430,25 +430,6 @@ public:
return m_n0;
}
//! Sets the potential energy of species k.
/*!
*
* @param k Species index
* @param pe Value of the potential energy (J kmol-1)
*/
void setPotentialEnergy(int k, doublereal pe);
//! Return the potential energy of species k.
/*!
* Returns the potential energy of species, k,
* J kmol-1
*
* @param k Species index
*/
doublereal potentialEnergy(int k) {
return m_pe[k];
}
//! Set the site density of the surface phase (kmol m-2)
/*!
* @param n0 Site density of the surface phase (kmol m-2)
@ -675,17 +656,6 @@ protected:
//! Temporary work array
mutable vector_fp m_work;
//! Potential energy of each species in the surface phase
/*!
* @todo Fix potential energy
* Note, the potential energy terms seem to be orphaned at the moment.
* They are not connected to the Gibbs free energy calculation in
* this object
*
* @deprecated
*/
mutable vector_fp m_pe;
//! vector storing the log of the size of each species.
/*!
* The size of each species is defined as the number of surface

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@ -337,7 +337,7 @@ public:
*
* The size of mobRat must be at least equal to nsp*nsp
*/
DEPRECATED(virtual void mobilityRatio(double* mobRat)) {
virtual void mobilityRatio(double* mobRat) {
err("mobilityRatio");
}

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@ -173,55 +173,6 @@ void XML_Reader::getchr(char& ch)
}
}
// Returns string 'aline' stripped of leading and trailing white
// space.
// @todo why is this a class method?
std::string XML_Reader::strip(const std::string& aline) const
{
int len = static_cast<int>(aline.size());
int i, j, ll;
for (i = len-1; i >= 0; i--) {
ll = aline[i];
if (! isspace(ll)) {
break;
}
}
for (j = 0; j < i; j++) {
ll = aline[j];
if (! isspace(ll)) {
break;
}
}
// if (aline[j] != ' ' && aline[j] != '\n') break;
return aline.substr(j, i - j + 1);
}
/// Looks for a substring within 'aline' enclosed in double
/// quotes, and returns this substring (without the quotes) if
/// found. If not, an empty string is returned.
/// @todo why is this a class method?
std::string XML_Reader::inquotes(const std::string& aline) const
{
int len = static_cast<int>(aline.size());
int i, j;
for (i = len-1; i >= 0; i--)
if (aline[i] == '"') {
break;
}
for (j = 0; j < i; j++)
if (aline[j] == '"') {
break;
}
if (j == i) {
return "";
} else {
return aline.substr(j+1, i - j - 1);
}
}
//! Find the first position of a character, q, in string, s, which is not immediately preceded by the backslash character
/*!
* @param s Input string

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@ -1079,18 +1079,6 @@ extern "C" {
}
}
int kin_getDeltaEntropy(int n, size_t len, double* deltaS)
{
try {
Kinetics& k = KineticsCabinet::item(n);
k.checkReactionArraySize(len);
k.getDeltaEntropy(deltaS);
return 0;
} catch (...) {
return handleAllExceptions(-1, ERR);
}
}
int kin_getCreationRates(int n, size_t len, double* cdot)
{
try {

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@ -1130,12 +1130,7 @@ bool MultiPhase::tempOK(const index_t p) const
{
return m_temp_OK[p];
}
//====================================================================================================================
/// Update the locally-stored species mole fractions.
void MultiPhase::updateMoleFractions()
{
uploadMoleFractionsFromPhases();
}
//====================================================================================================================
/// Update the locally-stored species mole fractions.
void MultiPhase::uploadMoleFractionsFromPhases()

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@ -46,14 +46,16 @@ gri30_update_rates_T()
/**
* Update the equilibrium constants in molar units.
* @todo This formulation assumes an ideal gas.
*/
void GRI_30_Kinetics::gri30_updateKc()
{
const doublereal* a =
&((IdealGasPhase*)m_thermo[0])->expGibbs_RT_ref()[0];
vector_fp a(m_kk);
m_thermo[0]->getGibbs_RT_ref(&a[0]);
for (size_t k = 0; k < m_kk; k++) {
a[k] = exp(a[k]);
}
doublereal exp_c_ref = exp(m_logc_ref);
update_kc(a, exp_c_ref, &m_rkcn[0]);
update_kc(&a[0], exp_c_ref, &m_rkcn[0]);
}

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@ -27,10 +27,6 @@ public:
virtual void error(const std::string& msg) {
mexErrMsgTxt(msg.c_str());
}
DEPRECATED(virtual int env()) {
return 1;
}
};
}

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@ -38,10 +38,6 @@ public:
std::string err = "raise \""+msg+"\"";
PyRun_SimpleString((char*)err.c_str());
}
DEPRECATED(virtual int env()) {
return 2;
}
};
}

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@ -44,7 +44,6 @@ ConstDensityThermo& ConstDensityThermo::operator=(const ConstDensityThermo& righ
m_cp0_R = right.m_cp0_R;
m_g0_RT = right.m_g0_RT;
m_s0_R = right.m_s0_R;
m_pe = right.m_pe;
m_pp = right.m_pp;
return *this;
@ -168,7 +167,6 @@ void ConstDensityThermo::initThermo()
m_g0_RT.resize(m_kk);
m_cp0_R.resize(m_kk);
m_s0_R.resize(m_kk);
m_pe.resize(m_kk, 0.0);
m_pp.resize(m_kk);
}

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@ -176,8 +176,6 @@ operator=(const DebyeHuckel& b)
m_waterProps = new WaterProps(m_waterSS);
}
m_expg0_RT = b.m_expg0_RT;
m_pe = b.m_pe;
m_pp = b.m_pp;
m_tmpV = b.m_tmpV;
m_speciesCharge_Stoich= b.m_speciesCharge_Stoich;
@ -1869,8 +1867,6 @@ void DebyeHuckel::initLengths()
m_d2lnActCoeffMolaldT2.resize(m_kk, 0.0);
m_dlnActCoeffMolaldP.resize(m_kk, 0.0);
m_B_Dot.resize(m_kk, 0.0);
m_expg0_RT.resize(m_kk, 0.0);
m_pe.resize(m_kk, 0.0);
m_pp.resize(m_kk, 0.0);
m_tmpV.resize(m_kk, 0.0);
if (m_formDH == DHFORM_BETAIJ ||

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@ -288,8 +288,6 @@ operator=(const HMWSoln& b)
m_waterProps = new WaterProps(dynamic_cast<PDSS_Water*>(m_waterSS));
}
m_expg0_RT = b.m_expg0_RT;
m_pe = b.m_pe;
m_pp = b.m_pp;
m_tmpV = b.m_tmpV;
m_speciesCharge_Stoich= b.m_speciesCharge_Stoich;
@ -1703,8 +1701,6 @@ void HMWSoln::initLengths()
m_speciesCharge_Stoich.resize(m_kk, 0.0);
m_Aionic.resize(m_kk, 0.0);
m_expg0_RT.resize(m_kk, 0.0);
m_pe.resize(m_kk, 0.0);
m_pp.resize(m_kk, 0.0);
m_tmpV.resize(m_kk, 0.0);
m_molalitiesCropped.resize(m_kk, 0.0);

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@ -65,7 +65,6 @@ operator=(const IdealGasPhase& right)
m_g0_RT = right.m_g0_RT;
m_s0_R = right.m_s0_R;
m_expg0_RT= right.m_expg0_RT;
m_pe = right.m_pe;
m_pp = right.m_pp;
}
return *this;
@ -482,7 +481,6 @@ void IdealGasPhase::initThermo()
m_expg0_RT.resize(m_kk);
m_cp0_R.resize(m_kk);
m_s0_R.resize(m_kk);
m_pe.resize(m_kk, 0.0);
m_pp.resize(m_kk);
}

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@ -99,8 +99,6 @@ operator=(const IdealMolalSoln& b)
IMS_egCut_ = b.IMS_egCut_;
IMS_agCut_ = b.IMS_agCut_;
IMS_bgCut_ = b.IMS_bgCut_;
m_expg0_RT = b.m_expg0_RT;
m_pe = b.m_pe;
m_pp = b.m_pp;
m_tmpV = b.m_tmpV;
IMS_lnActCoeffMolal_ = b.IMS_lnActCoeffMolal_;
@ -1299,8 +1297,6 @@ void IdealMolalSoln::initLengths()
* Obtain the limits of the temperature from the species
* thermo handler's limits.
*/
m_expg0_RT.resize(m_kk);
m_pe.resize(m_kk, 0.0);
m_pp.resize(m_kk);
m_speciesMolarVolume.resize(m_kk);
m_tmpV.resize(m_kk);

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@ -1048,22 +1048,6 @@ const vector_fp& IdealSolidSolnPhase::enthalpy_RT_ref() const
return m_h0_RT;
}
/*
* Returns a reference to the vector of nondimensional
* enthalpies of the reference state at the current temperature.
* Real reason for its existence is that it also checks
* to see if a recalculation of the reference thermodynamics
* functions needs to be done.
*/
const vector_fp& IdealSolidSolnPhase::expGibbs_RT_ref() const
{
_updateThermo();
for (size_t k = 0; k != m_kk; k++) {
m_expg0_RT[k] = exp(m_g0_RT[k]);
}
return m_expg0_RT;
}
/*
* Returns a reference to the vector of nondimensional
* enthalpies of the reference state at the current temperature.

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@ -130,7 +130,6 @@ operator=(const SurfPhase& right)
m_cp0 = right.m_cp0;
m_mu0 = right.m_mu0;
m_work = right.m_work;
m_pe = right.m_pe;
m_logsize = right.m_logsize;
}
return *this;
@ -338,7 +337,6 @@ void SurfPhase::initThermo()
m_cp0.resize(m_kk);
m_mu0.resize(m_kk);
m_work.resize(m_kk);
m_pe.resize(m_kk, 0.0);
vector_fp cov(m_kk, 0.0);
cov[0] = 1.0;
setCoverages(DATA_PTR(cov));
@ -348,27 +346,12 @@ void SurfPhase::initThermo()
}
}
void SurfPhase::setPotentialEnergy(int k, doublereal pe)
{
m_pe[k] = pe;
_updateThermo(true);
}
void SurfPhase::setSiteDensity(doublereal n0)
{
doublereal x = n0;
setParameters(1, &x);
}
//void SurfPhase::
//setElectricPotential(doublereal V) {
// for (int k = 0; k < m_kk; k++) {
// m_pe[k] = charge(k)*Faraday*V;
// }
// _updateThermo(true);
//}
/**
* Set the coverage fractions to a specified
* state. This routine converts to concentrations