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[Equil] Deprecate unused internal VCS functions

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This commit is contained in:
Ray Speth 2016-04-14 23:29:33 -04:00
parent 70824559ce
commit 9a848fbd0e
12 changed files with 60 additions and 4 deletions
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4
include/cantera/equil/vcs_MultiPhaseEquil.h
View file

@ -79,6 +79,7 @@ public:
*
* @param m Index of the component. Must be between 0 and the number of
* components, which can be obtained from the numComponents() command.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
size_t component(size_t m) const;
@ -94,6 +95,7 @@ public:
* @param rxn Reaction number.
* @param nu Vector of coefficients for the formation reaction. Length is
* equal to the number of species in the MultiPhase object.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
void getStoichVector(size_t rxn, vector_fp& nu);
@ -286,6 +288,7 @@ public:
/*!
* @returns the number of components. If an equilibrium
* problem hasn't been solved yet, it returns -1.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
size_t numComponents() const;
@ -293,6 +296,7 @@ public:
/*!
* @returns the number of element constraints. If an equilibrium problem
* hasn't been solved yet, it returns -1.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
size_t numElemConstraints() const;

2
include/cantera/equil/vcs_VolPhase.h
View file

@ -111,6 +111,7 @@ public:
* whenever a phase goes zero, we do not carry out calculations on it.
*
* @param kspec species number
* @deprecated Unused. To be removed after Cantera 2.3.
*/
double AC_calc_one(size_t kspec) const;
@ -454,6 +455,7 @@ public:
/*!
* @param e Element index
* @param eType type of the element.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
void setElementType(const size_t e, const int eType);

2
include/cantera/equil/vcs_prob.h
View file

@ -200,6 +200,7 @@ public:
* @param nPhase size to dimension all the phase lists to
* @param force If true, this will dimension the size to be equal to
* `nPhase` even if `nPhase` is less than the current value of NPHASE0
* @deprecated Unused. To be removed after Cantera 2.3.
*/
void resizePhase(size_t nPhase, int force);
@ -211,6 +212,7 @@ public:
* @param nsp size to dimension all the species lists to
* @param force If true, this will dimension the size to be equal to `nsp`
* even if `nsp` is less than the current value of #NSPECIES0
* @deprecated Unused. To be removed after Cantera 2.3.
*/
void resizeSpecies(size_t nsp, int force);

12
include/cantera/equil/vcs_solve.h
View file

@ -321,6 +321,7 @@ public:
* species order)
* @param[out] mu_i Dimensionless chemical potentials for phase
* species (VCS species order)
* @deprecated Unused. To be removed after Cantera 2.3.
*/
void vcs_chemPotPhase(const int stateCalc, const size_t iph, const double* const molNum,
double* const ac, double* const mu_i,
@ -563,6 +564,7 @@ public:
*
* NOTE: this is currently not used used anywhere.
* It may be in the future?
* @deprecated Unused. To be removed after Cantera 2.3.
*/
void vcs_deltag_Phase(const size_t iphase, const bool doDeleted,
const int stateCalc, const bool alterZeroedPhases = true);
@ -597,6 +599,7 @@ public:
*
* @param kspec Species number that is coming back to life
* @returns the number of kmol that the species should have.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
double vcs_birthGuess(const int kspec);
@ -829,6 +832,7 @@ public:
* attribute of the regular vcs algorithm. We don't want to violate this.
*
* NOTE: currently this routine is not used.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
int vcs_rxn_adj_cg();
@ -840,8 +844,6 @@ public:
* We allow the diagonal to be increased positively to any degree.
* We allow the diagonal to be decreased to 1/3 of the ideal solution
* value, but no more -> it must remain positive.
*
* NOTE: currently this routine is not used
*/
double vcs_Hessian_diag_adj(size_t irxn, double hessianDiag_Ideal);
@ -849,8 +851,6 @@ public:
//! the dependence of the activity coefficients on the mole numbers.
/*!
* (See framemaker notes, Eqn. 20 - VCS Equations document)
*
* NOTE: currently this routine is not used
*/
double vcs_Hessian_actCoeff_diag(size_t irxn);
@ -873,6 +873,7 @@ public:
* @param ANOTE Output character string stating the conclusions of the
* line search
* @returns the optimized step length found by the search
* @deprecated Unused. To be removed after Cantera 2.3.
*/
double vcs_line_search(const size_t irxn, const double dx_orig,
char* const ANOTE=0);
@ -890,6 +891,7 @@ public:
//! Switch all species data back to the original order.
/*!
* This destroys the data based on reaction ordering.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
int vcs_rearrange();
@ -1191,6 +1193,7 @@ private:
* 1. Vphase Existence is up to date
* 2. Vphase->IndSpecies is up to date
* 3. m_deltaGRxn_old[irxn] is up to date
* @deprecated Unused. To be removed after Cantera 2.3.
*/
bool recheck_deleted_phase(const int iphase);
@ -1305,6 +1308,7 @@ private:
* species in phases that participate in the reaction will be
* updated
* @returns the dimensionless deltaG of the reaction
* @deprecated Unused. To be removed after Cantera 2.3.
*/
double deltaG_Recalc_Rxn(const int stateCalc,
const size_t irxn, const double* const molNum,

4
include/cantera/equil/vcs_species_thermo.h
View file

@ -101,6 +101,7 @@ public:
* @param TKelvin Temperature in Kelvin
* @param pres pressure in Pa
* @return standard state free energy in units of Kelvin.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
virtual double GStar_R_calc(size_t kspec, double TKelvin, double pres);
@ -111,6 +112,7 @@ public:
* @param kglob species global index.
* @param TKelvin Temperature in Kelvin
* @return standard state free energy in Kelvin.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
virtual double G0_R_calc(size_t kglob, double TKelvin);
@ -119,6 +121,7 @@ public:
* kspec, at the temperature TKelvin and pressure, Pres,
*
* @return standard state volume in m**3 / kmol
* @deprecated Unused. To be removed after Cantera 2.3.
*/
virtual double VolStar_calc(size_t kglob, double TKelvin, double Pres);
@ -131,6 +134,7 @@ public:
* @param kspec index of the species in the global species list within
* VCS_SOLVE. Phase and local species id can be looked up within object.
* @return activity coefficient for species kspec
* @deprecated Unused. To be removed after Cantera 2.3.
*/
virtual double eval_ac(size_t kspec);
};

8
src/equil/vcs_MultiPhaseEquil.cpp
View file

@ -1099,6 +1099,8 @@ int vcs_Cantera_update_vprob(MultiPhase* mphase, VCS_PROB* vprob)
void vcs_MultiPhaseEquil::getStoichVector(size_t rxn, vector_fp& nu)
{
warn_deprecated("vcs_MultiPhaseEquil::getStoichVector",
"Unused. To be removed after Cantera 2.3.");
size_t nsp = m_vsolve.m_numSpeciesTot;
nu.resize(nsp, 0.0);
for (size_t i = 0; i < nsp; i++) {
@ -1119,16 +1121,22 @@ void vcs_MultiPhaseEquil::getStoichVector(size_t rxn, vector_fp& nu)
size_t vcs_MultiPhaseEquil::numComponents() const
{
warn_deprecated("vcs_MultiPhaseEquil::numComponents",
"Unused. To be removed after Cantera 2.3.");
return m_vsolve.m_numComponents;
}
size_t vcs_MultiPhaseEquil::numElemConstraints() const
{
warn_deprecated("vcs_MultiPhaseEquil::numElemConstraints",
"Unused. To be removed after Cantera 2.3.");
return m_vsolve.m_numElemConstraints;
}
size_t vcs_MultiPhaseEquil::component(size_t m) const
{
warn_deprecated("vcs_MultiPhaseEquil::component",
"Unused. To be removed after Cantera 2.3.");
size_t nc = numComponents();
if (m < nc) {
return m_vsolve.m_speciesMapIndex[m];

4
src/equil/vcs_VolPhase.cpp
View file

@ -288,6 +288,8 @@ void vcs_VolPhase::_updateActCoeff() const
double vcs_VolPhase::AC_calc_one(size_t kspec) const
{
warn_deprecated("vcs_VolPhase::AC_calc_one",
"Unused. To be removed after Cantera 2.3.");
if (! m_UpToDate_AC) {
_updateActCoeff();
}
@ -1100,6 +1102,8 @@ int vcs_VolPhase::elementType(const size_t e) const
void vcs_VolPhase::setElementType(const size_t e, const int eType)
{
warn_deprecated("vcs_VolPhase::setElementType",
"Unused. To be removed after Cantera 2.3.");
m_elementType[e] = eType;
}

4
src/equil/vcs_prob.cpp
View file

@ -105,6 +105,8 @@ VCS_PROB::~VCS_PROB()
void VCS_PROB::resizePhase(size_t nPhase, int force)
{
warn_deprecated("VCS_PROB::resizePhase",
"Unused. To be removed after Cantera 2.3.");
if (force || nPhase > NPHASE0) {
NPHASE0 = nPhase;
}
@ -112,6 +114,8 @@ void VCS_PROB::resizePhase(size_t nPhase, int force)
void VCS_PROB::resizeSpecies(size_t nsp, int force)
{
warn_deprecated("VCS_PROB::resizeSpecies",
"Unused. To be removed after Cantera 2.3.");
if (force || nsp > NSPECIES0) {
m_gibbsSpecies.resize(nsp, 0.0);
w.resize(nsp, 0.0);

2
src/equil/vcs_rearrange.cpp
View file

@ -14,6 +14,8 @@ namespace Cantera
{
int VCS_SOLVE::vcs_rearrange()
{
warn_deprecated("VCS_SOLVE::vcs_rearrange",
"Unused. To be removed after Cantera 2.3.");
size_t k1 = 0;
// Loop over all of the species

6
src/equil/vcs_rxnadj.cpp
View file

@ -302,6 +302,8 @@ size_t VCS_SOLVE::vcs_RxnStepSizes(int& forceComponentCalc, size_t& kSpecial)
int VCS_SOLVE::vcs_rxn_adj_cg()
{
warn_deprecated("VCS_SOLVE::vcs_rxn_adj_cg",
"Unused. To be removed after Cantera 2.3.");
int soldel = 0;
char ANOTE[128];
plogf(" ");
@ -523,6 +525,8 @@ void VCS_SOLVE::vcs_CalcLnActCoeffJac(const double* const moleSpeciesVCS)
double VCS_SOLVE::deltaG_Recalc_Rxn(const int stateCalc, const size_t irxn, const double* const molNum, double* const ac,
double* const mu_i)
{
warn_deprecated("VCS_SOLVE::deltaG_Recalc_Rxn",
"Unused. To be removed after Cantera 2.3.");
size_t kspec = irxn + m_numComponents;
for (size_t iphase = 0; iphase < m_numPhases; iphase++) {
if (m_phaseParticipation(iphase,irxn)) {
@ -538,6 +542,8 @@ double VCS_SOLVE::deltaG_Recalc_Rxn(const int stateCalc, const size_t irxn, cons
double VCS_SOLVE::vcs_line_search(const size_t irxn, const double dx_orig, char* const ANOTE)
{
warn_deprecated("VCS_SOLVE::vcs_line_search",
"Unused. To be removed after Cantera 2.3.");
int its = 0;
size_t kspec = m_indexRxnToSpecies[irxn];
const int MAXITS = 10;

8
src/equil/vcs_solve_TP.cpp
View file

@ -1883,6 +1883,8 @@ int VCS_SOLVE::vcs_recheck_deleted()
bool VCS_SOLVE::recheck_deleted_phase(const int iphase)
{
warn_deprecated("VCS_SOLVE::recheck_deleted_phase",
"Unused. To be removed after Cantera 2.3.");
// Check first to see if the phase is in fact deleted
const vcs_VolPhase* Vphase = m_VolPhaseList[iphase];
if (Vphase->exists() != VCS_PHASE_EXIST_NO) {
@ -2824,6 +2826,8 @@ void VCS_SOLVE::vcs_chemPotPhase(const int stateCalc,
double* const ac, double* const mu_i,
const bool do_deleted)
{
warn_deprecated("VCS_SOLVE::vcs_chemPotPhase",
"Unused. To be removed after Cantera 2.3.");
vcs_VolPhase* Vphase = m_VolPhaseList[iph];
size_t nkk = Vphase->nSpecies();
double tMoles = TPhInertMoles[iph];
@ -3672,6 +3676,8 @@ void VCS_SOLVE::vcs_printDeltaG(const int stateCalc)
void VCS_SOLVE::vcs_deltag_Phase(const size_t iphase, const bool doDeleted,
const int stateCalc, const bool alterZeroedPhases)
{
warn_deprecated("VCS_SOLVE::vcs_deltag_Phase",
"Unused. To be removed after Cantera 2.3.");
double* feSpecies=0;
double* deltaGRxn=0;
double* actCoeffSpecies=0;
@ -3860,6 +3866,8 @@ void VCS_SOLVE::vcs_switch_pos(const bool ifunc, const size_t k1, const size_t k
double VCS_SOLVE::vcs_birthGuess(const int kspec)
{
warn_deprecated("VCS_SOLVE::vcs_birthGuess",
"Unused. To be removed after Cantera 2.3.");
size_t irxn = kspec - m_numComponents;
double dx = 0.0;
if (m_speciesUnknownType[kspec] == VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {

8
src/equil/vcs_species_thermo.cpp
View file

@ -86,6 +86,8 @@ VCS_SPECIES_THERMO* VCS_SPECIES_THERMO::duplMyselfAsVCS_SPECIES_THERMO()
double VCS_SPECIES_THERMO::GStar_R_calc(size_t kglob, double TKelvin,
double pres)
{
warn_deprecated("VCS_SPECIES_THERMO::GStar_R_calc",
"Unused. To be removed after Cantera 2.3.");
double fe = G0_R_calc(kglob, TKelvin);
OwningPhase->setState_TP(TKelvin, pres);
fe = OwningPhase->GStar_calc_one(IndexSpeciesPhase);
@ -95,12 +97,16 @@ double VCS_SPECIES_THERMO::GStar_R_calc(size_t kglob, double TKelvin,
double VCS_SPECIES_THERMO::VolStar_calc(size_t kglob, double TKelvin,
double presPA)
{
warn_deprecated("VCS_SPECIES_THERMO::VolStar_calc",
"Unused. To be removed after Cantera 2.3.");
OwningPhase->setState_TP(TKelvin, presPA);
return OwningPhase->VolStar_calc_one(IndexSpeciesPhase);
}
double VCS_SPECIES_THERMO::G0_R_calc(size_t kglob, double TKelvin)
{
warn_deprecated("VCS_SPECIES_THERMO::G0_R_calc",
"Unused. To be removed after Cantera 2.3.");
if (SS0_Model == VCS_SS0_CONSTANT) {
return SS0_feSave;
}
@ -121,6 +127,8 @@ double VCS_SPECIES_THERMO::eval_ac(size_t kglob)
// they are, then the currPhAC[] boolean may be used to reduce repeated
// work. Just set currPhAC[iph], when the activity coefficients for all
// species in the phase are reevaluated.
warn_deprecated("VCS_SPECIES_THERMO::eval_ac",
"Unused. To be removed after Cantera 2.3.");
return OwningPhase->AC_calc_one(IndexSpeciesPhase);
}