From 6f985cdc78ab86dffc66f44cc36da4d5c52e4384 Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Thu, 7 Aug 2008 23:40:52 +0000 Subject: [PATCH] vcs_VolPhase update: Made more members private --- Cantera/src/equil/vcs_MultiPhaseEquil.cpp | 6 +- Cantera/src/equil/vcs_VolPhase.cpp | 88 ++++++++++++----------- Cantera/src/equil/vcs_VolPhase.h | 9 ++- Cantera/src/equil/vcs_prep.cpp | 16 ++--- Cantera/src/equil/vcs_prob.cpp | 8 +-- Cantera/src/equil/vcs_solve.cpp | 14 ++-- Cantera/src/equil/vcs_solve.h | 2 +- Cantera/src/equil/vcs_solve_TP.cpp | 14 ++-- 8 files changed, 79 insertions(+), 78 deletions(-) diff --git a/Cantera/src/equil/vcs_MultiPhaseEquil.cpp b/Cantera/src/equil/vcs_MultiPhaseEquil.cpp index 0fc2a75c3..e584a8ba2 100644 --- a/Cantera/src/equil/vcs_MultiPhaseEquil.cpp +++ b/Cantera/src/equil/vcs_MultiPhaseEquil.cpp @@ -701,7 +701,7 @@ namespace VCSnonideal { if (m_vprob->w[i] <= 0.0) { int iph = m_vprob->PhaseID[i]; vcs_VolPhase *VPhase = m_vprob->VPhaseList[iph]; - if (VPhase->NVolSpecies > 1) { + if (VPhase->nSpecies() > 1) { plogf(" -1.000e+300\n"); } else { plogf("%15.3e\n", m_vprob->m_gibbsSpecies[i]); @@ -1269,7 +1269,7 @@ namespace VCSnonideal { plogf("%16s %5d %5d %8d %16s %8d %16e ", VolPhase->PhaseName.c_str(), VolPhase->VP_ID, VolPhase->m_singleSpecies, VolPhase->m_gasPhase, sEOS.c_str(), - VolPhase->NVolSpecies, VolPhase->totalMolesInert() ); + VolPhase->nSpecies(), VolPhase->totalMolesInert() ); plogf("%16e\n", VolPhase->TotalMoles()); } @@ -1388,7 +1388,7 @@ namespace VCSnonideal { plogf("%16s %5d %5d %8d %16s %8d %16e ", VolPhase->PhaseName.c_str(), VolPhase->VP_ID, VolPhase->m_singleSpecies, VolPhase->m_gasPhase, sEOS.c_str(), - VolPhase->NVolSpecies, VolPhase->totalMolesInert() ); + VolPhase->nSpecies(), VolPhase->totalMolesInert() ); plogf("%16e\n", VolPhase->TotalMoles() ); } diff --git a/Cantera/src/equil/vcs_VolPhase.cpp b/Cantera/src/equil/vcs_VolPhase.cpp index b21a5574d..9f2d0f717 100644 --- a/Cantera/src/equil/vcs_VolPhase.cpp +++ b/Cantera/src/equil/vcs_VolPhase.cpp @@ -42,7 +42,7 @@ namespace VCSnonideal { p_activityConvention(0), m_numElemConstraints(0), m_elemGlobalIndex(0), - NVolSpecies(0), + m_numSpecies(0), m_totalMolesInert(0.0), m_isIdealSoln(false), m_existence(0), @@ -75,7 +75,7 @@ namespace VCSnonideal { * Destructor for the VolPhase object. */ vcs_VolPhase::~vcs_VolPhase() { - for (int k = 0; k < NVolSpecies; k++) { + for (int k = 0; k < m_numSpecies; k++) { vcs_SpeciesProperties *sp = ListSpeciesPtr[k]; delete sp; sp = 0; @@ -102,7 +102,7 @@ namespace VCSnonideal { p_VCS_UnitsFormat(b.p_VCS_UnitsFormat), p_activityConvention(b.p_activityConvention), m_numElemConstraints(b.m_numElemConstraints), - NVolSpecies(b.NVolSpecies), + m_numSpecies(b.m_numSpecies), m_totalMolesInert(b.m_totalMolesInert), m_isIdealSoln(b.m_isIdealSoln), m_existence(b.m_existence), @@ -139,7 +139,7 @@ namespace VCSnonideal { vcs_VolPhase& vcs_VolPhase::operator=(const vcs_VolPhase& b) { int k; if (&b != this) { - int old_num = NVolSpecies; + int old_num = m_numSpecies; // Note: we comment this out for the assignment operator // specifically, because it isn't true for the assignment @@ -152,7 +152,7 @@ namespace VCSnonideal { m_gasPhase = b.m_gasPhase; m_eqnState = b.m_eqnState; - NVolSpecies = b.NVolSpecies; + m_numSpecies = b.m_numSpecies; m_numElemConstraints = b.m_numElemConstraints; ChargeNeutralityElement = b.ChargeNeutralityElement; @@ -165,16 +165,16 @@ namespace VCSnonideal { m_elementActive = b.m_elementActive; m_elementType = b.m_elementType; - m_formulaMatrix.resize(m_numElemConstraints, NVolSpecies, 0.0); + m_formulaMatrix.resize(m_numElemConstraints, m_numSpecies, 0.0); for (int e = 0; e < m_numElemConstraints; e++) { - for (int k = 0; k < NVolSpecies; k++) { + for (int k = 0; k < m_numSpecies; k++) { m_formulaMatrix[e][k] = b.m_formulaMatrix[e][k]; } } m_speciesUnknownType = b.m_speciesUnknownType; m_elemGlobalIndex = b.m_elemGlobalIndex; - NVolSpecies = b.NVolSpecies; + m_numSpecies = b.m_numSpecies; PhaseName = b.PhaseName; m_totalMolesInert = b.m_totalMolesInert; p_activityConvention= b.p_activityConvention; @@ -194,8 +194,8 @@ namespace VCSnonideal { ListSpeciesPtr[k] = 0; } } - ListSpeciesPtr.resize(NVolSpecies, 0); - for (k = 0; k < NVolSpecies; k++) { + ListSpeciesPtr.resize(m_numSpecies, 0); + for (k = 0; k < m_numSpecies; k++) { ListSpeciesPtr[k] = new vcs_SpeciesProperties(*(b.ListSpeciesPtr[k])); } @@ -281,11 +281,11 @@ namespace VCSnonideal { m_singleSpecies = true; } - if (NVolSpecies == nspecies && numElem == m_numElemConstraints) { + if (m_numSpecies == nspecies && numElem == m_numElemConstraints) { return; } - NVolSpecies = nspecies; + m_numSpecies = nspecies; if (nspecies > 1) { m_singleSpecies = false; } @@ -293,8 +293,8 @@ namespace VCSnonideal { IndSpecies.resize(nspecies, -1); - if ((int) ListSpeciesPtr.size() >= NVolSpecies) { - for (int i = 0; i < NVolSpecies; i++) { + if ((int) ListSpeciesPtr.size() >= m_numSpecies) { + for (int i = 0; i < m_numSpecies; i++) { if (ListSpeciesPtr[i]) { delete ListSpeciesPtr[i]; ListSpeciesPtr[i] = 0; @@ -340,7 +340,7 @@ namespace VCSnonideal { m_elementActive.resize(numElemConstraints+1, 1); m_elementType.resize(numElemConstraints, VCS_ELEM_TYPE_ABSPOS); - m_formulaMatrix.resize(numElemConstraints, NVolSpecies, 0.0); + m_formulaMatrix.resize(numElemConstraints, m_numSpecies, 0.0); m_elementNames.resize(numElemConstraints, ""); m_elemGlobalIndex.resize(numElemConstraints, -1); @@ -392,7 +392,7 @@ namespace VCSnonideal { TP_ptr->getGibbs_ref(VCS_DATA_PTR(SS0ChemicalPotential)); } else { double R = vcsUtil_gasConstant(p_VCS_UnitsFormat); - for (int k = 0; k < NVolSpecies; k++) { + for (int k = 0; k < m_numSpecies; k++) { int kglob = IndSpecies[k]; vcs_SpeciesProperties *sProp = ListSpeciesPtr[k]; VCS_SPECIES_THERMO *sTherm = sProp->SpeciesThermo; @@ -433,7 +433,7 @@ namespace VCSnonideal { TP_ptr->getStandardChemPotentials(VCS_DATA_PTR(StarChemicalPotential)); } else { double R = vcsUtil_gasConstant(p_VCS_UnitsFormat); - for (int k = 0; k < NVolSpecies; k++) { + for (int k = 0; k < m_numSpecies; k++) { int kglob = IndSpecies[k]; vcs_SpeciesProperties *sProp = ListSpeciesPtr[k]; VCS_SPECIES_THERMO *sTherm = sProp->SpeciesThermo; @@ -473,12 +473,12 @@ namespace VCSnonideal { */ void vcs_VolPhase::setMoleFractions(const double * const xmol) { double sum = -1.0; - for (int k = 0; k < NVolSpecies; k++) { + for (int k = 0; k < m_numSpecies; k++) { Xmol[k] = xmol[k]; sum+= xmol[k]; } if (std::fabs(sum) > 1.0E-13) { - for (int k = 0; k < NVolSpecies; k++) { + for (int k = 0; k < m_numSpecies; k++) { Xmol[k] /= sum; } } @@ -568,14 +568,14 @@ namespace VCSnonideal { } #endif - for (int k = 0; k < NVolSpecies; k++) { + for (int k = 0; k < m_numSpecies; k++) { if (m_speciesUnknownType[k] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { kglob = IndSpecies[k]; v_totalMoles += MAX(0.0, molesSpeciesVCS[kglob]); } } if (v_totalMoles > 0.0) { - for (int k = 0; k < NVolSpecies; k++) { + for (int k = 0; k < m_numSpecies; k++) { if (m_speciesUnknownType[k] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { kglob = IndSpecies[k]; tmp = MAX(0.0, molesSpeciesVCS[kglob]); @@ -587,8 +587,8 @@ namespace VCSnonideal { // This is where we will start to store a better approximation // for the mole fractions, when the phase doesn't exist. // This is currently unimplemented. - for (int k = 0; k < NVolSpecies; k++) { - Xmol[k] = 1.0 / NVolSpecies; + for (int k = 0; k < m_numSpecies; k++) { + Xmol[k] = 1.0 / m_numSpecies; } m_existence = 0; } @@ -598,14 +598,14 @@ namespace VCSnonideal { */ if (m_phiVarIndex >= 0) { kglob = IndSpecies[m_phiVarIndex]; - if (NVolSpecies == 1) { + if (m_numSpecies == 1) { Xmol[m_phiVarIndex] = 1.0; } else { Xmol[m_phiVarIndex] = 0.0; } double phi = molesSpeciesVCS[kglob]; setElectricPotential(phi); - if (NVolSpecies == 1) { + if (m_numSpecies == 1) { m_existence = 1; } } @@ -696,7 +696,7 @@ namespace VCSnonideal { _updateActCoeff(); } int kglob; - for (int k = 0; k < NVolSpecies; k++) { + for (int k = 0; k < m_numSpecies; k++) { kglob = IndSpecies[k]; AC[kglob] = ActCoeff[k]; } @@ -718,7 +718,7 @@ namespace VCSnonideal { (void) _updateVolPM(); } int kglob; - for (int k = 0; k < NVolSpecies; k++) { + for (int k = 0; k < m_numSpecies; k++) { kglob = IndSpecies[k]; VolPM[kglob] = PartialMolarVol[k]; } @@ -741,7 +741,7 @@ namespace VCSnonideal { _updateGStar(); } int kglob; - for (int k = 0; k < NVolSpecies; k++) { + for (int k = 0; k < m_numSpecies; k++) { kglob = IndSpecies[k]; gstar[kglob] = StarChemicalPotential[k]; } @@ -826,7 +826,7 @@ namespace VCSnonideal { if (m_useCanteraCalls) { TP_ptr->getStandardVolumes(VCS_DATA_PTR(StarMolarVol)); } else { - for (int k = 0; k < NVolSpecies; k++) { + for (int k = 0; k < m_numSpecies; k++) { int kglob = IndSpecies[k]; vcs_SpeciesProperties *sProp = ListSpeciesPtr[k]; VCS_SPECIES_THERMO *sTherm = sProp->SpeciesThermo; @@ -871,19 +871,19 @@ namespace VCSnonideal { if (m_useCanteraCalls) { TP_ptr->getPartialMolarVolumes(VCS_DATA_PTR(PartialMolarVol)); } else { - for (k = 0; k < NVolSpecies; k++) { + for (k = 0; k < m_numSpecies; k++) { kglob = IndSpecies[k]; vcs_SpeciesProperties *sProp = ListSpeciesPtr[k]; VCS_SPECIES_THERMO *sTherm = sProp->SpeciesThermo; StarMolarVol[k] = (sTherm->VolStar_calc(kglob, Temp, Pres)); } - for (k = 0; k < NVolSpecies; k++) { + for (k = 0; k < m_numSpecies; k++) { PartialMolarVol[k] = StarMolarVol[k]; } } m_totalVol = 0.0; - for (k = 0; k < NVolSpecies; k++) { + for (k = 0; k < m_numSpecies; k++) { m_totalVol += PartialMolarVol[k] * Xmol[k]; } m_totalVol *= v_totalMoles; @@ -925,7 +925,7 @@ namespace VCSnonideal { /* * Loop over the columns species to be deltad */ - for (j = 0; j < NVolSpecies; j++) { + for (j = 0; j < m_numSpecies; j++) { /* * Calculate a value for the delta moles of species j * -> NOte Xmol[] and Tmoles are always positive or zero @@ -938,7 +938,7 @@ namespace VCSnonideal { * mole fractions based on this. */ v_totalMoles = TMoles_base + deltaMoles_j; - for (k = 0; k < NVolSpecies; k++) { + for (k = 0; k < m_numSpecies; k++) { Xmol[k] = Xmol_Base[k] * TMoles_base / v_totalMoles; } Xmol[j] = (moles_j_base + deltaMoles_j) / v_totalMoles; @@ -953,7 +953,7 @@ namespace VCSnonideal { * Calculate the column of the matrix */ double * const lnActCoeffCol = dLnActCoeffdMolNumber[j]; - for (k = 0; k < NVolSpecies; k++) { + for (k = 0; k < m_numSpecies; k++) { lnActCoeffCol[k] = (ActCoeff[k] - ActCoeff_Base[k]) / ((ActCoeff[k] + ActCoeff_Base[k]) * 0.5 * deltaMoles_j); } @@ -961,7 +961,7 @@ namespace VCSnonideal { * Revert to the base case Xmol, v_totalMoles */ v_totalMoles = TMoles_base; - vcs_vdcopy(Xmol, Xmol_Base, NVolSpecies); + vcs_vdcopy(Xmol, Xmol_Base, m_numSpecies); } /* * Go get base values for the activity coefficients. @@ -1000,11 +1000,11 @@ namespace VCSnonideal { * Now copy over the values */ int j, k, jglob, kglob; - for (j = 0; j < NVolSpecies; j++) { + for (j = 0; j < m_numSpecies; j++) { jglob = IndSpecies[j]; double * const lnACJacVCS_col = LnACJac_VCS[jglob]; const double * const lnACJac_col = dLnActCoeffdMolNumber[j]; - for (k = 0; k < NVolSpecies; k++) { + for (k = 0; k < m_numSpecies; k++) { kglob = IndSpecies[k]; lnACJacVCS_col[kglob] = lnACJac_col[k]; } @@ -1031,9 +1031,9 @@ namespace VCSnonideal { m_phi = TP_ptr->electricPotential(); int nsp = TP_ptr->nSpecies(); int nelem = TP_ptr->nElements(); - if (nsp != NVolSpecies) { - if (NVolSpecies != 0) { - plogf("Warning Nsp != NVolSpeces: %d %d \n", nsp, NVolSpecies); + if (nsp != m_numSpecies) { + if (m_numSpecies != 0) { + plogf("Warning Nsp != NVolSpeces: %d %d \n", nsp, m_numSpecies); } resize(VP_ID, nsp, nelem, PhaseName.c_str()); } @@ -1528,5 +1528,11 @@ namespace VCSnonideal { int vcs_VolPhase::elementActive(const int e) const { return m_elementActive[e]; } + + //! Return the number of species in the phase + int vcs_VolPhase::nSpecies() const { + return m_numSpecies; + } + } diff --git a/Cantera/src/equil/vcs_VolPhase.h b/Cantera/src/equil/vcs_VolPhase.h index ee31f70a8..e8202e264 100644 --- a/Cantera/src/equil/vcs_VolPhase.h +++ b/Cantera/src/equil/vcs_VolPhase.h @@ -534,6 +534,10 @@ namespace VCSnonideal { int elementActive(const int e) const; + + //! Return the number of species in the phase + int nSpecies() const; + private: //! Evaluate the activity coefficients at the current conditions @@ -603,7 +607,6 @@ namespace VCSnonideal { */ void _updateMoleFractionDependencies(); - /************************************************************************* * MEMBER DATA * @@ -747,10 +750,10 @@ namespace VCSnonideal { //! storred in VCS_PROB or VCS_SOLVE std::vector m_elemGlobalIndex; - public: //! Number of species in the phase - int NVolSpecies; + int m_numSpecies; + public: //! String name for the phase std::string PhaseName; diff --git a/Cantera/src/equil/vcs_prep.cpp b/Cantera/src/equil/vcs_prep.cpp index fceb57b26..725c4d031 100644 --- a/Cantera/src/equil/vcs_prep.cpp +++ b/Cantera/src/equil/vcs_prep.cpp @@ -24,16 +24,9 @@ namespace VCSnonideal { - - void VCS_SOLVE::vcs_SSPhase(void) - /************************************************************************** - * - * vcs_SSPhase: - * - * Calculate the status of single species phases. - * - *************************************************************************/ - { + + // Calculate the status of single species phases. + void VCS_SOLVE::vcs_SSPhase() { int kspec, iph; vcs_VolPhase *Vphase; @@ -57,8 +50,7 @@ namespace VCSnonideal { if (TPhInertMoles[iph] == 0.0) { Vphase->m_singleSpecies = true; } - } - Vphase->NVolSpecies = numPhSpecies[iph]; + } } /* diff --git a/Cantera/src/equil/vcs_prob.cpp b/Cantera/src/equil/vcs_prob.cpp index b418ac837..1e598ad20 100644 --- a/Cantera/src/equil/vcs_prob.cpp +++ b/Cantera/src/equil/vcs_prob.cpp @@ -285,7 +285,7 @@ namespace VCSnonideal { plogf("%16s %5d %5d %8d ", Vphase->PhaseName.c_str(), Vphase->VP_ID, Vphase->m_singleSpecies, Vphase->m_gasPhase); plogf("%16s %8d %16e ", EOS_cstr.c_str(), - Vphase->NVolSpecies, Vphase->totalMolesInert()); + Vphase->nSpecies(), Vphase->totalMolesInert()); if (iest >= 0) plogf("%16e\n", Vphase->TotalMoles()); else plogf(" N/A\n"); } @@ -321,7 +321,7 @@ namespace VCSnonideal { for (iphase = 0; iphase < NPhase; iphase++) { Vphase = VPhaseList[iphase]; Vphase->setState_TP(T, PresPA); - for (int kindex = 0; kindex < Vphase->NVolSpecies; kindex++) { + for (int kindex = 0; kindex < Vphase->nSpecies(); kindex++) { int kglob = Vphase->spGlobalIndexVCS(kindex); plogf("%16s ", SpName[kglob].c_str()); if (kindex == 0) { @@ -489,7 +489,7 @@ namespace VCSnonideal { istart = iK; vcs_VolPhase *volP = VPhaseList[iphase]; //const Cantera::ThermoPhase *tptr = volP->ptrThermoPhase(); - int nSpeciesPhase = volP->NVolSpecies; + int nSpeciesPhase = volP->nSpecies(); volPM.resize(nSpeciesPhase, 0.0); volP->sendToVCS_VolPM(VCS_DATA_PTR(volPM)); @@ -518,7 +518,7 @@ namespace VCSnonideal { vcs_VolPhase *volP = VPhaseList[iphase]; const Cantera::ThermoPhase *tp = volP->ptrThermoPhase(); string phaseName = volP->PhaseName; - int nSpeciesPhase = volP->NVolSpecies; + int nSpeciesPhase = volP->nSpecies(); volP->sendToVCS_VolPM(VCS_DATA_PTR(volPM)); double TMolesPhase = volP->TotalMoles(); //AssertTrace(TMolesPhase == m_mix->phaseMoles(iphase)); diff --git a/Cantera/src/equil/vcs_solve.cpp b/Cantera/src/equil/vcs_solve.cpp index d7474ac3a..1727060b7 100644 --- a/Cantera/src/equil/vcs_solve.cpp +++ b/Cantera/src/equil/vcs_solve.cpp @@ -666,7 +666,7 @@ namespace VCSnonideal { } for (iph = 0; iph < nph; iph++) { Vphase = pub->VPhaseList[iph]; - if (numPhSp[iph] != Vphase->NVolSpecies) { + if (numPhSp[iph] != Vphase->nSpecies()) { plogf("%sNumber of species in phase %d, %s, doesn't match\n", ser, iph, Vphase->PhaseName.c_str()); return VCS_PUB_BAD; @@ -724,7 +724,7 @@ namespace VCSnonideal { * data space. */ Vphase = m_VolPhaseList[iph]; - for (int k = 0; k < Vphase->NVolSpecies; k++) { + for (int k = 0; k < Vphase->nSpecies(); k++) { vcs_SpeciesProperties *sProp = Vphase->speciesProperty(k); int kT = Vphase->spGlobalIndexVCS(k); sProp->SpeciesThermo = m_speciesThermoList[kT]; @@ -749,7 +749,7 @@ namespace VCSnonideal { */ int iSolvent = Vphase->spGlobalIndexVCS(0); double mnaught = m_wtSpecies[iSolvent] / 1000.; - for (int k = 1; k < Vphase->NVolSpecies; k++) { + for (int k = 1; k < Vphase->nSpecies(); k++) { int kspec = Vphase->spGlobalIndexVCS(k); m_actConventionSpecies[kspec] = Vphase->p_activityConvention; m_lnMnaughtSpecies[kspec] = log(mnaught); @@ -869,10 +869,10 @@ namespace VCSnonideal { vPhase->m_eqnState = pub_phase_ptr->m_eqnState; - if (vPhase->NVolSpecies != pub_phase_ptr->NVolSpecies) { + if (vPhase->nSpecies() != pub_phase_ptr->nSpecies()) { plogf("%sNVolSpecies value have changed:%d %d\n", yo.c_str(), - vPhase->NVolSpecies, - pub_phase_ptr->NVolSpecies); + vPhase->nSpecies(), + pub_phase_ptr->nSpecies()); retn = VCS_PUB_BAD; } @@ -965,7 +965,7 @@ namespace VCSnonideal { pubPhase->setElectricPotential(vPhase->electricPotential()); double sumMoles = pubPhase->totalMolesInert(); pubPhase->setMoleFractions(VCS_DATA_PTR(vPhase->moleFractions())); - for (int k = 0; k < pubPhase->NVolSpecies; k++) { + for (int k = 0; k < pubPhase->nSpecies(); k++) { kT = pubPhase->spGlobalIndexVCS(k); if (pubPhase->phiVarIndex() == k) { diff --git a/Cantera/src/equil/vcs_solve.h b/Cantera/src/equil/vcs_solve.h index f010fcf42..6e1845a86 100644 --- a/Cantera/src/equil/vcs_solve.h +++ b/Cantera/src/equil/vcs_solve.h @@ -1271,7 +1271,7 @@ private: double * const ss, double test); - + //! Calculate the status of single species phases. void vcs_SSPhase(void); //! This function recalculates the deltaG for reaction, irxn diff --git a/Cantera/src/equil/vcs_solve_TP.cpp b/Cantera/src/equil/vcs_solve_TP.cpp index 449e8fd0a..2a7f58373 100644 --- a/Cantera/src/equil/vcs_solve_TP.cpp +++ b/Cantera/src/equil/vcs_solve_TP.cpp @@ -181,7 +181,7 @@ namespace VCSnonideal { plogf(" PRESSURE%22.8g %3s\n", m_pressurePA, "Pa "); plogf(" TEMPERATURE%19.3f K\n", m_temperature); Vphase = m_VolPhaseList[0]; - if (Vphase->NVolSpecies > 0) { + if (Vphase->nSpecies() > 0) { plogf(" PHASE1 INERTS%17.3f\n", TPhInertMoles[0]); } if (m_numPhases > 0) { @@ -2720,7 +2720,7 @@ namespace VCSnonideal { } double phaseDG = 1.0; - for (int kk = 0; kk < Vphase->NVolSpecies; kk++) { + for (int kk = 0; kk < Vphase->nSpecies(); kk++) { kspec = Vphase->spGlobalIndexVCS(kk); irxn = kspec + m_numComponents; if (m_deltaGRxn_old[irxn] > 50.0) m_deltaGRxn_old[irxn] = 50.0; @@ -3091,7 +3091,7 @@ namespace VCSnonideal { m_deltaGRxn_new[irxn]); #endif Vphase = m_VolPhaseList[iph]; - int numSpPhase = Vphase->NVolSpecies; + int numSpPhase = Vphase->nSpecies(); m_deltaMolNumSpecies[kspec] = m_totalMolNum * 10.0 * VCS_DELETE_PHASE_CUTOFF / numSpPhase; } @@ -3509,7 +3509,7 @@ namespace VCSnonideal { vcs_VolPhase *Vphase = m_VolPhaseList[iph]; if (! Vphase->m_singleSpecies) { double sum = 0.0; - for (k = 0; k < Vphase->NVolSpecies; k++) { + for (k = 0; k < Vphase->nSpecies(); k++) { kspec = Vphase->spGlobalIndexVCS(k); if (m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { sum += molNumSpecies[kspec]; @@ -3523,7 +3523,7 @@ namespace VCSnonideal { if (lneed) { double poly = 0.0; - for (k = 0; k < Vphase->NVolSpecies; k++) { + for (k = 0; k < Vphase->nSpecies(); k++) { kspec = Vphase->spGlobalIndexVCS(k); irxn = kspec - m_numComponents; // We may need to look at deltaGRxn for components! @@ -3538,7 +3538,7 @@ namespace VCSnonideal { * All of the m_deltaGRxn_new[]'s will be equal. If deltaGRxn[] is negative, then * the phase will come back into existence. */ - for (k = 0; k < Vphase->NVolSpecies; k++) { + for (k = 0; k < Vphase->nSpecies(); k++) { kspec = Vphase->spGlobalIndexVCS(k); irxn = kspec - m_numComponents; if (irxn >= 0) { @@ -4432,7 +4432,7 @@ namespace VCSnonideal { const bool do_deleted) { vcs_VolPhase *Vphase = m_VolPhaseList[iph]; - int nkk = Vphase->NVolSpecies; + int nkk = Vphase->nSpecies(); int k, kspec; #ifdef DEBUG_MODE