diff --git a/include/cantera/equil/vcs_MultiPhaseEquil.h b/include/cantera/equil/vcs_MultiPhaseEquil.h index a3eaaca01..eaab27edd 100644 --- a/include/cantera/equil/vcs_MultiPhaseEquil.h +++ b/include/cantera/equil/vcs_MultiPhaseEquil.h @@ -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; diff --git a/include/cantera/equil/vcs_VolPhase.h b/include/cantera/equil/vcs_VolPhase.h index 775d0f1bc..a2f4011df 100644 --- a/include/cantera/equil/vcs_VolPhase.h +++ b/include/cantera/equil/vcs_VolPhase.h @@ -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); diff --git a/include/cantera/equil/vcs_prob.h b/include/cantera/equil/vcs_prob.h index 8768dfdb5..cd19c98cd 100644 --- a/include/cantera/equil/vcs_prob.h +++ b/include/cantera/equil/vcs_prob.h @@ -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); diff --git a/include/cantera/equil/vcs_solve.h b/include/cantera/equil/vcs_solve.h index 483abdd7c..e967c1206 100644 --- a/include/cantera/equil/vcs_solve.h +++ b/include/cantera/equil/vcs_solve.h @@ -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, diff --git a/include/cantera/equil/vcs_species_thermo.h b/include/cantera/equil/vcs_species_thermo.h index 424d534b2..fdfde9c6d 100644 --- a/include/cantera/equil/vcs_species_thermo.h +++ b/include/cantera/equil/vcs_species_thermo.h @@ -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); }; diff --git a/src/equil/vcs_MultiPhaseEquil.cpp b/src/equil/vcs_MultiPhaseEquil.cpp index 222451a6f..37ac93422 100644 --- a/src/equil/vcs_MultiPhaseEquil.cpp +++ b/src/equil/vcs_MultiPhaseEquil.cpp @@ -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]; diff --git a/src/equil/vcs_VolPhase.cpp b/src/equil/vcs_VolPhase.cpp index 7ed499638..7093c9cfb 100644 --- a/src/equil/vcs_VolPhase.cpp +++ b/src/equil/vcs_VolPhase.cpp @@ -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; } diff --git a/src/equil/vcs_prob.cpp b/src/equil/vcs_prob.cpp index 8d5652628..5f66ab3f0 100644 --- a/src/equil/vcs_prob.cpp +++ b/src/equil/vcs_prob.cpp @@ -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); diff --git a/src/equil/vcs_rearrange.cpp b/src/equil/vcs_rearrange.cpp index bb7267cb0..d55e98440 100644 --- a/src/equil/vcs_rearrange.cpp +++ b/src/equil/vcs_rearrange.cpp @@ -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 diff --git a/src/equil/vcs_rxnadj.cpp b/src/equil/vcs_rxnadj.cpp index 8ad95d73d..7ddd25002 100644 --- a/src/equil/vcs_rxnadj.cpp +++ b/src/equil/vcs_rxnadj.cpp @@ -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; diff --git a/src/equil/vcs_solve_TP.cpp b/src/equil/vcs_solve_TP.cpp index 588d35e2d..e0e457562 100644 --- a/src/equil/vcs_solve_TP.cpp +++ b/src/equil/vcs_solve_TP.cpp @@ -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) { diff --git a/src/equil/vcs_species_thermo.cpp b/src/equil/vcs_species_thermo.cpp index 86d7d7889..8ba1a2904 100644 --- a/src/equil/vcs_species_thermo.cpp +++ b/src/equil/vcs_species_thermo.cpp @@ -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); }