vcs_VolPhase update: Made more members private
This commit is contained in:
Harry Moffat
parent
0b6ccbcbef
commit
6f985cdc78
8 changed files with 79 additions and 78 deletions
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@ -701,7 +701,7 @@ namespace VCSnonideal {
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if (m_vprob->w[i] <= 0.0) {
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int iph = m_vprob->PhaseID[i];
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vcs_VolPhase *VPhase = m_vprob->VPhaseList[iph];
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if (VPhase->NVolSpecies > 1) {
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if (VPhase->nSpecies() > 1) {
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plogf(" -1.000e+300\n");
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} else {
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plogf("%15.3e\n", m_vprob->m_gibbsSpecies[i]);
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@ -1269,7 +1269,7 @@ namespace VCSnonideal {
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plogf("%16s %5d %5d %8d %16s %8d %16e ", VolPhase->PhaseName.c_str(),
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VolPhase->VP_ID, VolPhase->m_singleSpecies,
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VolPhase->m_gasPhase, sEOS.c_str(),
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VolPhase->NVolSpecies, VolPhase->totalMolesInert() );
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VolPhase->nSpecies(), VolPhase->totalMolesInert() );
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plogf("%16e\n", VolPhase->TotalMoles());
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}
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@ -1388,7 +1388,7 @@ namespace VCSnonideal {
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plogf("%16s %5d %5d %8d %16s %8d %16e ", VolPhase->PhaseName.c_str(),
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VolPhase->VP_ID, VolPhase->m_singleSpecies,
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VolPhase->m_gasPhase, sEOS.c_str(),
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VolPhase->NVolSpecies, VolPhase->totalMolesInert() );
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VolPhase->nSpecies(), VolPhase->totalMolesInert() );
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plogf("%16e\n", VolPhase->TotalMoles() );
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}
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@ -42,7 +42,7 @@ namespace VCSnonideal {
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p_activityConvention(0),
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m_numElemConstraints(0),
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m_elemGlobalIndex(0),
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NVolSpecies(0),
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m_numSpecies(0),
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m_totalMolesInert(0.0),
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m_isIdealSoln(false),
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m_existence(0),
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@ -75,7 +75,7 @@ namespace VCSnonideal {
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* Destructor for the VolPhase object.
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*/
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vcs_VolPhase::~vcs_VolPhase() {
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for (int k = 0; k < NVolSpecies; k++) {
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for (int k = 0; k < m_numSpecies; k++) {
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vcs_SpeciesProperties *sp = ListSpeciesPtr[k];
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delete sp;
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sp = 0;
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@ -102,7 +102,7 @@ namespace VCSnonideal {
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p_VCS_UnitsFormat(b.p_VCS_UnitsFormat),
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p_activityConvention(b.p_activityConvention),
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m_numElemConstraints(b.m_numElemConstraints),
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NVolSpecies(b.NVolSpecies),
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m_numSpecies(b.m_numSpecies),
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m_totalMolesInert(b.m_totalMolesInert),
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m_isIdealSoln(b.m_isIdealSoln),
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m_existence(b.m_existence),
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@ -139,7 +139,7 @@ namespace VCSnonideal {
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vcs_VolPhase& vcs_VolPhase::operator=(const vcs_VolPhase& b) {
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int k;
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if (&b != this) {
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int old_num = NVolSpecies;
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int old_num = m_numSpecies;
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// Note: we comment this out for the assignment operator
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// specifically, because it isn't true for the assignment
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@ -152,7 +152,7 @@ namespace VCSnonideal {
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m_gasPhase = b.m_gasPhase;
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m_eqnState = b.m_eqnState;
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NVolSpecies = b.NVolSpecies;
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m_numSpecies = b.m_numSpecies;
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m_numElemConstraints = b.m_numElemConstraints;
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ChargeNeutralityElement = b.ChargeNeutralityElement;
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@ -165,16 +165,16 @@ namespace VCSnonideal {
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m_elementActive = b.m_elementActive;
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m_elementType = b.m_elementType;
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m_formulaMatrix.resize(m_numElemConstraints, NVolSpecies, 0.0);
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m_formulaMatrix.resize(m_numElemConstraints, m_numSpecies, 0.0);
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for (int e = 0; e < m_numElemConstraints; e++) {
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for (int k = 0; k < NVolSpecies; k++) {
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for (int k = 0; k < m_numSpecies; k++) {
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m_formulaMatrix[e][k] = b.m_formulaMatrix[e][k];
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}
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}
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m_speciesUnknownType = b.m_speciesUnknownType;
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m_elemGlobalIndex = b.m_elemGlobalIndex;
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NVolSpecies = b.NVolSpecies;
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m_numSpecies = b.m_numSpecies;
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PhaseName = b.PhaseName;
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m_totalMolesInert = b.m_totalMolesInert;
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p_activityConvention= b.p_activityConvention;
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@ -194,8 +194,8 @@ namespace VCSnonideal {
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ListSpeciesPtr[k] = 0;
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}
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}
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ListSpeciesPtr.resize(NVolSpecies, 0);
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for (k = 0; k < NVolSpecies; k++) {
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ListSpeciesPtr.resize(m_numSpecies, 0);
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for (k = 0; k < m_numSpecies; k++) {
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ListSpeciesPtr[k] =
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new vcs_SpeciesProperties(*(b.ListSpeciesPtr[k]));
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}
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@ -281,11 +281,11 @@ namespace VCSnonideal {
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m_singleSpecies = true;
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}
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if (NVolSpecies == nspecies && numElem == m_numElemConstraints) {
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if (m_numSpecies == nspecies && numElem == m_numElemConstraints) {
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return;
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}
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NVolSpecies = nspecies;
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m_numSpecies = nspecies;
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if (nspecies > 1) {
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m_singleSpecies = false;
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}
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@ -293,8 +293,8 @@ namespace VCSnonideal {
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IndSpecies.resize(nspecies, -1);
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if ((int) ListSpeciesPtr.size() >= NVolSpecies) {
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for (int i = 0; i < NVolSpecies; i++) {
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if ((int) ListSpeciesPtr.size() >= m_numSpecies) {
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for (int i = 0; i < m_numSpecies; i++) {
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if (ListSpeciesPtr[i]) {
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delete ListSpeciesPtr[i];
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ListSpeciesPtr[i] = 0;
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@ -340,7 +340,7 @@ namespace VCSnonideal {
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m_elementActive.resize(numElemConstraints+1, 1);
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m_elementType.resize(numElemConstraints, VCS_ELEM_TYPE_ABSPOS);
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m_formulaMatrix.resize(numElemConstraints, NVolSpecies, 0.0);
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m_formulaMatrix.resize(numElemConstraints, m_numSpecies, 0.0);
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m_elementNames.resize(numElemConstraints, "");
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m_elemGlobalIndex.resize(numElemConstraints, -1);
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@ -392,7 +392,7 @@ namespace VCSnonideal {
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TP_ptr->getGibbs_ref(VCS_DATA_PTR(SS0ChemicalPotential));
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} else {
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double R = vcsUtil_gasConstant(p_VCS_UnitsFormat);
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for (int k = 0; k < NVolSpecies; k++) {
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for (int k = 0; k < m_numSpecies; k++) {
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int kglob = IndSpecies[k];
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vcs_SpeciesProperties *sProp = ListSpeciesPtr[k];
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VCS_SPECIES_THERMO *sTherm = sProp->SpeciesThermo;
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@ -433,7 +433,7 @@ namespace VCSnonideal {
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TP_ptr->getStandardChemPotentials(VCS_DATA_PTR(StarChemicalPotential));
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} else {
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double R = vcsUtil_gasConstant(p_VCS_UnitsFormat);
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for (int k = 0; k < NVolSpecies; k++) {
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for (int k = 0; k < m_numSpecies; k++) {
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int kglob = IndSpecies[k];
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vcs_SpeciesProperties *sProp = ListSpeciesPtr[k];
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VCS_SPECIES_THERMO *sTherm = sProp->SpeciesThermo;
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@ -473,12 +473,12 @@ namespace VCSnonideal {
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*/
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void vcs_VolPhase::setMoleFractions(const double * const xmol) {
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double sum = -1.0;
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for (int k = 0; k < NVolSpecies; k++) {
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for (int k = 0; k < m_numSpecies; k++) {
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Xmol[k] = xmol[k];
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sum+= xmol[k];
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}
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if (std::fabs(sum) > 1.0E-13) {
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for (int k = 0; k < NVolSpecies; k++) {
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for (int k = 0; k < m_numSpecies; k++) {
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Xmol[k] /= sum;
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}
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}
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@ -568,14 +568,14 @@ namespace VCSnonideal {
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}
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#endif
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for (int k = 0; k < NVolSpecies; k++) {
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for (int k = 0; k < m_numSpecies; k++) {
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if (m_speciesUnknownType[k] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
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kglob = IndSpecies[k];
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v_totalMoles += MAX(0.0, molesSpeciesVCS[kglob]);
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}
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}
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if (v_totalMoles > 0.0) {
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for (int k = 0; k < NVolSpecies; k++) {
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for (int k = 0; k < m_numSpecies; k++) {
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if (m_speciesUnknownType[k] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
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kglob = IndSpecies[k];
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tmp = MAX(0.0, molesSpeciesVCS[kglob]);
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@ -587,8 +587,8 @@ namespace VCSnonideal {
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// This is where we will start to store a better approximation
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// for the mole fractions, when the phase doesn't exist.
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// This is currently unimplemented.
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for (int k = 0; k < NVolSpecies; k++) {
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Xmol[k] = 1.0 / NVolSpecies;
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for (int k = 0; k < m_numSpecies; k++) {
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Xmol[k] = 1.0 / m_numSpecies;
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}
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m_existence = 0;
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}
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@ -598,14 +598,14 @@ namespace VCSnonideal {
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*/
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if (m_phiVarIndex >= 0) {
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kglob = IndSpecies[m_phiVarIndex];
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if (NVolSpecies == 1) {
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if (m_numSpecies == 1) {
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Xmol[m_phiVarIndex] = 1.0;
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} else {
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Xmol[m_phiVarIndex] = 0.0;
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}
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double phi = molesSpeciesVCS[kglob];
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setElectricPotential(phi);
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if (NVolSpecies == 1) {
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if (m_numSpecies == 1) {
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m_existence = 1;
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}
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}
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@ -696,7 +696,7 @@ namespace VCSnonideal {
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_updateActCoeff();
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}
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int kglob;
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for (int k = 0; k < NVolSpecies; k++) {
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for (int k = 0; k < m_numSpecies; k++) {
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kglob = IndSpecies[k];
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AC[kglob] = ActCoeff[k];
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}
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@ -718,7 +718,7 @@ namespace VCSnonideal {
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(void) _updateVolPM();
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}
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int kglob;
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for (int k = 0; k < NVolSpecies; k++) {
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for (int k = 0; k < m_numSpecies; k++) {
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kglob = IndSpecies[k];
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VolPM[kglob] = PartialMolarVol[k];
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}
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@ -741,7 +741,7 @@ namespace VCSnonideal {
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_updateGStar();
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}
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int kglob;
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for (int k = 0; k < NVolSpecies; k++) {
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for (int k = 0; k < m_numSpecies; k++) {
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kglob = IndSpecies[k];
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gstar[kglob] = StarChemicalPotential[k];
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}
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@ -826,7 +826,7 @@ namespace VCSnonideal {
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if (m_useCanteraCalls) {
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TP_ptr->getStandardVolumes(VCS_DATA_PTR(StarMolarVol));
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} else {
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for (int k = 0; k < NVolSpecies; k++) {
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for (int k = 0; k < m_numSpecies; k++) {
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int kglob = IndSpecies[k];
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vcs_SpeciesProperties *sProp = ListSpeciesPtr[k];
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VCS_SPECIES_THERMO *sTherm = sProp->SpeciesThermo;
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@ -871,19 +871,19 @@ namespace VCSnonideal {
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if (m_useCanteraCalls) {
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TP_ptr->getPartialMolarVolumes(VCS_DATA_PTR(PartialMolarVol));
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} else {
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for (k = 0; k < NVolSpecies; k++) {
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for (k = 0; k < m_numSpecies; k++) {
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kglob = IndSpecies[k];
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vcs_SpeciesProperties *sProp = ListSpeciesPtr[k];
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VCS_SPECIES_THERMO *sTherm = sProp->SpeciesThermo;
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StarMolarVol[k] = (sTherm->VolStar_calc(kglob, Temp, Pres));
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}
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for (k = 0; k < NVolSpecies; k++) {
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for (k = 0; k < m_numSpecies; k++) {
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PartialMolarVol[k] = StarMolarVol[k];
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}
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}
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m_totalVol = 0.0;
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for (k = 0; k < NVolSpecies; k++) {
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for (k = 0; k < m_numSpecies; k++) {
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m_totalVol += PartialMolarVol[k] * Xmol[k];
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}
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m_totalVol *= v_totalMoles;
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@ -925,7 +925,7 @@ namespace VCSnonideal {
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/*
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* Loop over the columns species to be deltad
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*/
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for (j = 0; j < NVolSpecies; j++) {
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for (j = 0; j < m_numSpecies; j++) {
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/*
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* Calculate a value for the delta moles of species j
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* -> NOte Xmol[] and Tmoles are always positive or zero
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@ -938,7 +938,7 @@ namespace VCSnonideal {
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* mole fractions based on this.
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*/
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v_totalMoles = TMoles_base + deltaMoles_j;
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for (k = 0; k < NVolSpecies; k++) {
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for (k = 0; k < m_numSpecies; k++) {
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Xmol[k] = Xmol_Base[k] * TMoles_base / v_totalMoles;
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}
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Xmol[j] = (moles_j_base + deltaMoles_j) / v_totalMoles;
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@ -953,7 +953,7 @@ namespace VCSnonideal {
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* Calculate the column of the matrix
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*/
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double * const lnActCoeffCol = dLnActCoeffdMolNumber[j];
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for (k = 0; k < NVolSpecies; k++) {
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for (k = 0; k < m_numSpecies; k++) {
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lnActCoeffCol[k] = (ActCoeff[k] - ActCoeff_Base[k]) /
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((ActCoeff[k] + ActCoeff_Base[k]) * 0.5 * deltaMoles_j);
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}
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@ -961,7 +961,7 @@ namespace VCSnonideal {
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* Revert to the base case Xmol, v_totalMoles
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*/
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v_totalMoles = TMoles_base;
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vcs_vdcopy(Xmol, Xmol_Base, NVolSpecies);
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vcs_vdcopy(Xmol, Xmol_Base, m_numSpecies);
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}
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/*
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* Go get base values for the activity coefficients.
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@ -1000,11 +1000,11 @@ namespace VCSnonideal {
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* Now copy over the values
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*/
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int j, k, jglob, kglob;
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for (j = 0; j < NVolSpecies; j++) {
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for (j = 0; j < m_numSpecies; j++) {
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jglob = IndSpecies[j];
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double * const lnACJacVCS_col = LnACJac_VCS[jglob];
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const double * const lnACJac_col = dLnActCoeffdMolNumber[j];
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for (k = 0; k < NVolSpecies; k++) {
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for (k = 0; k < m_numSpecies; k++) {
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kglob = IndSpecies[k];
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lnACJacVCS_col[kglob] = lnACJac_col[k];
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}
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@ -1031,9 +1031,9 @@ namespace VCSnonideal {
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m_phi = TP_ptr->electricPotential();
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int nsp = TP_ptr->nSpecies();
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int nelem = TP_ptr->nElements();
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if (nsp != NVolSpecies) {
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if (NVolSpecies != 0) {
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plogf("Warning Nsp != NVolSpeces: %d %d \n", nsp, NVolSpecies);
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if (nsp != m_numSpecies) {
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if (m_numSpecies != 0) {
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plogf("Warning Nsp != NVolSpeces: %d %d \n", nsp, m_numSpecies);
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}
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resize(VP_ID, nsp, nelem, PhaseName.c_str());
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}
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@ -1528,5 +1528,11 @@ namespace VCSnonideal {
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int vcs_VolPhase::elementActive(const int e) const {
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return m_elementActive[e];
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}
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//! Return the number of species in the phase
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int vcs_VolPhase::nSpecies() const {
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return m_numSpecies;
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}
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}
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@ -534,6 +534,10 @@ namespace VCSnonideal {
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int elementActive(const int e) const;
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//! Return the number of species in the phase
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int nSpecies() const;
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private:
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//! Evaluate the activity coefficients at the current conditions
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@ -603,7 +607,6 @@ namespace VCSnonideal {
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*/
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void _updateMoleFractionDependencies();
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/*************************************************************************
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* MEMBER DATA *
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@ -747,10 +750,10 @@ namespace VCSnonideal {
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//! storred in VCS_PROB or VCS_SOLVE
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std::vector<int> m_elemGlobalIndex;
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public:
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//! Number of species in the phase
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int NVolSpecies;
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int m_numSpecies;
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public:
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//! String name for the phase
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std::string PhaseName;
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@ -24,16 +24,9 @@
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namespace VCSnonideal {
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void VCS_SOLVE::vcs_SSPhase(void)
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/**************************************************************************
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*
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* vcs_SSPhase:
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*
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* Calculate the status of single species phases.
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*
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*************************************************************************/
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{
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||||
// 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];
|
||||
}
|
||||
}
|
||||
|
||||
/*
|
||||
|
|
|
|||
|
|
@ -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));
|
||||
|
|
|
|||
|
|
@ -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) {
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
Loading…
Add table
Reference in a new issue