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Variable name changing only

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This commit is contained in:
Harry Moffat 2008-05-16 22:00:16 +00:00
parent c76d8b7504
commit 431eb16260
13 changed files with 94 additions and 81 deletions
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4
Cantera/src/equil/vcs_Gibbs.cpp
View file

@ -40,7 +40,7 @@ namespace VCSnonideal {
double g = 0.0;
for (int iph = 0; iph < m_numPhases; iph++) {
vcs_VolPhase *Vphase = VPhaseList[iph];
vcs_VolPhase *Vphase = m_VolPhaseList[iph];
if ((TPhInertMoles[iph] > 0.0) && (tPhMoles[iph] > 0.0)) {
g += TPhInertMoles[iph] *
log(TPhInertMoles[iph] / tPhMoles[iph]);
@ -80,7 +80,7 @@ namespace VCSnonideal {
if (TPhInertMoles[iphase] > 0.0) {
phaseMols += TPhInertMoles[iphase];
g += TPhInertMoles[iphase] * log(TPhInertMoles[iphase] / phaseMols);
vcs_VolPhase *Vphase = VPhaseList[iphase];
vcs_VolPhase *Vphase = m_VolPhaseList[iphase];
if (Vphase->GasPhase == iphase) {
g += TPhInertMoles[iphase] * log(m_pressurePA/1.01325E5);
}

4
Cantera/src/equil/vcs_MultiPhaseEquil.cpp
View file

@ -1586,7 +1586,7 @@ namespace VCSnonideal {
int nc = numComponents();
// scMatrix [nrxn][ncomp]
const DoubleStarStar &scMatrix = m_vsolvePtr->m_stoichCoeffRxnMatrix;
const std::vector<int> indSpecies = m_vsolvePtr->m_speciesIndexVector;
const std::vector<int> indSpecies = m_vsolvePtr->m_speciesMapIndex;
if ((int) rxn > nsp - nc) return;
int j = indSpecies[rxn + nc];
nu[j] = 1.0;
@ -1616,7 +1616,7 @@ namespace VCSnonideal {
int vcs_MultiPhaseEquil::component(int m) const {
int nc = numComponents();
if (m < nc) return m_vsolvePtr->m_speciesIndexVector[m];
if (m < nc) return m_vsolvePtr->m_speciesMapIndex[m];
else return -1;
}

2
Cantera/src/equil/vcs_TP.cpp
View file

@ -153,7 +153,7 @@ namespace VCSnonideal {
//}
for (int iph = 0; iph < m_numPhases; iph++) {
vcs_VolPhase* vph = VPhaseList[iph];
vcs_VolPhase* vph = m_VolPhaseList[iph];
vph->setState_TP(m_temperature, m_pressurePA);
vph->sendToVCSGStar(VCS_DATA_PTR(m_SSfeSpecies));
}

4
Cantera/src/equil/vcs_elem_rearrange.cpp
View file

@ -236,7 +236,7 @@ namespace VCSnonideal {
* to reflect the switch in the element positions.
*/
for (int iph = 0; iph < m_numPhases; iph++) {
volPhase = VPhaseList[iph];
volPhase = m_VolPhaseList[iph];
for (int e = 0; e < volPhase->nElemConstraints; e++) {
if (volPhase->ElGlobalIndex[e] == ipos) {
volPhase->ElGlobalIndex[e] = jpos;
@ -248,7 +248,7 @@ namespace VCSnonideal {
}
vcsUtil_dsw(VCS_DATA_PTR(m_elemAbundancesGoal), ipos, jpos);
vcsUtil_dsw(VCS_DATA_PTR(m_elemAbundances), ipos, jpos);
vcsUtil_isw(VCS_DATA_PTR(IndEl), ipos, jpos);
vcsUtil_isw(VCS_DATA_PTR(m_elementMapIndex), ipos, jpos);
vcsUtil_isw(VCS_DATA_PTR(m_elType), ipos, jpos);
vcsUtil_isw(VCS_DATA_PTR(m_elementActive), ipos, jpos);
for (j = 0; j < m_numSpeciesTot; ++j) {

4
Cantera/src/equil/vcs_inest.cpp
View file

@ -135,7 +135,7 @@ namespace VCSnonideal {
vcs_dzero(VCS_DATA_PTR(m_deltaMolNumSpecies), nspecies);
for (kspec = 0; kspec < nspecies; ++kspec) {
iph = m_phaseID[kspec];
Vphase = VPhaseList[iph];
Vphase = m_VolPhaseList[iph];
if (m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
if (molNum[kspec] <= 0.0) {
/*
@ -184,7 +184,7 @@ namespace VCSnonideal {
}
TMolesMultiphase = 0.0;
for (iph = 0; iph < m_numPhases; iph++) {
if (! VPhaseList[iph]->SingleSpecies) {
if (! m_VolPhaseList[iph]->SingleSpecies) {
TMolesMultiphase += m_tPhaseMoles_new[iph];
}
}

8
Cantera/src/equil/vcs_prep.cpp
View file

@ -51,7 +51,7 @@ namespace VCSnonideal {
* Treat that species as a single-species phase
*/
for (iph = 0; iph < m_numPhases; iph++) {
Vphase = VPhaseList[iph];
Vphase = m_VolPhaseList[iph];
Vphase->SingleSpecies = false;
if (TPhInertMoles[iph] > 0.0) {
Vphase->Existence = 2;
@ -72,7 +72,7 @@ namespace VCSnonideal {
*/
for (kspec = 0; kspec < m_numSpeciesTot; kspec++) {
iph = m_phaseID[kspec];
Vphase = VPhaseList[iph];
Vphase = m_VolPhaseList[iph];
if (Vphase->SingleSpecies) m_SSPhase[kspec] = TRUE;
else m_SSPhase[kspec] = FALSE;
}
@ -142,8 +142,8 @@ namespace VCSnonideal {
for (kspec = 0; kspec < m_numSpeciesTot; ++kspec) {
int pID = m_phaseID[kspec];
int spPhIndex = indPhSp[kspec];
vcs_VolPhase *vPhase = VPhaseList[pID];
int spPhIndex = m_speciesLocalPhaseIndex[kspec];
vcs_VolPhase *vPhase = m_VolPhaseList[pID];
vcs_SpeciesProperties *spProp = vPhase->ListSpeciesPtr[spPhIndex];
double sz = 0.0;
int eSize = spProp->FormulaMatrixCol.size();

2
Cantera/src/equil/vcs_rearrange.cpp
View file

@ -36,7 +36,7 @@ namespace VCSnonideal {
* Call it k1 and continue.
*/
for (j = 0; j < m_numSpeciesTot; ++j) {
l = m_speciesIndexVector[j];
l = m_speciesMapIndex[j];
k1 = j;
if (l == i) break;
}

4
Cantera/src/equil/vcs_report.cpp
View file

@ -152,7 +152,7 @@ namespace VCSnonideal {
plogf(" Inert Gas Species ");
} else {
plogf(" Inert Species in phase %16s ",
(VPhaseList[i])->PhaseName.c_str());
(m_VolPhaseList[i])->PhaseName.c_str());
}
plogf("%14.7E %14.7E %12.4E\n", TPhInertMoles[i],
TPhInertMoles[i] / m_tPhaseMoles_old[i], 0.0);
@ -244,7 +244,7 @@ namespace VCSnonideal {
print_line("-", m_numElemConstraints*10 + 58);
for (int iphase = 0; iphase < m_numPhases; iphase++) {
plogf(" %3d ", iphase);
vcs_VolPhase *VPhase = VPhaseList[iphase];
vcs_VolPhase *VPhase = m_VolPhaseList[iphase];
plogf("%-12.12s |",VPhase->PhaseName.c_str());
plogf("%10.3e |", m_tPhaseMoles_old[iphase]);
totalMoles += m_tPhaseMoles_old[iphase];

4
Cantera/src/equil/vcs_rxnadj.cpp
View file

@ -139,7 +139,7 @@ namespace VCSnonideal {
}
}
for (j = 0; j < m_numPhases; j++) {
if (! (VPhaseList[j])->SingleSpecies) {
if (! (m_VolPhaseList[j])->SingleSpecies) {
if (m_tPhaseMoles_old[j] > 0.0)
s -= SQUARE(dnPhase_irxn[j]) / m_tPhaseMoles_old[j];
}
@ -319,7 +319,7 @@ namespace VCSnonideal {
* Loop over all of the phases in the problem
*/
for (int iphase = 0; iphase < m_numPhases; iphase++) {
vcs_VolPhase *Vphase = VPhaseList[iphase];
vcs_VolPhase *Vphase = m_VolPhaseList[iphase];
/*
* We don't need to call single species phases;
*/

40
Cantera/src/equil/vcs_solve.cpp
View file

@ -145,13 +145,13 @@ namespace VCSnonideal {
* ind[] is an index variable that keep track of solution vector
* rotations.
*/
m_speciesIndexVector.resize(nspecies0, 0);
indPhSp.resize(nspecies0, 0);
m_speciesMapIndex.resize(nspecies0, 0);
m_speciesLocalPhaseIndex.resize(nspecies0, 0);
/*
* IndEl[] is an index variable that keep track of element vector
* rotations.
*/
IndEl.resize(nelements, 0);
m_elementMapIndex.resize(nelements, 0);
/*
* ir[] is an index vector that keeps track of the irxn to species
@ -191,9 +191,9 @@ namespace VCSnonideal {
/*
* Malloc Phase Info
*/
VPhaseList.resize(nphase0, 0);
m_VolPhaseList.resize(nphase0, 0);
for (iph = 0; iph < nphase0; iph++) {
VPhaseList[iph] = new vcs_VolPhase();
m_VolPhaseList[iph] = new vcs_VolPhase();
}
/*
@ -236,8 +236,8 @@ namespace VCSnonideal {
int nspecies = m_numSpeciesTot;
for (j = 0; j < m_numPhases; j++) {
delete VPhaseList[j];
VPhaseList[j] = 0;
delete m_VolPhaseList[j];
m_VolPhaseList[j] = 0;
}
for (j = 0; j < nspecies; j++) {
@ -610,14 +610,14 @@ namespace VCSnonideal {
* of solution vector rotations.
*/
for (i = 0; i < nspecies; i++) {
m_speciesIndexVector[i] = i;
m_speciesMapIndex[i] = i;
}
/*
* IndEl[] is an index variable that keep track of element vector
* rotations.
*/
for (i = 0; i < nelements; i++) IndEl[i] = i;
for (i = 0; i < nelements; i++) m_elementMapIndex[i] = i;
/*
* ir[] -> will be done below once nc is defined.
* ic[] -> Define all species to be major species, initially.
@ -639,7 +639,7 @@ namespace VCSnonideal {
return VCS_PUB_BAD;
}
m_phaseID[kspec] = pub->PhaseID[kspec];
indPhSp[kspec] = numPhSp[iph];
m_speciesLocalPhaseIndex[kspec] = numPhSp[iph];
numPhSp[iph]++;
}
for (iph = 0; iph < nph; iph++) {
@ -654,7 +654,7 @@ namespace VCSnonideal {
if (m_numPhases == 1) {
for (kspec = 0; kspec < nspecies; kspec++) {
m_phaseID[kspec] = 0;
indPhSp[kspec] = kspec;
m_speciesLocalPhaseIndex[kspec] = kspec;
}
} else {
plogf("%sSpecies to Phase Mapping, PhaseID, is not defined\n", ser);
@ -695,13 +695,13 @@ namespace VCSnonideal {
* Use the object's assignment operator
*/
for (iph = 0; iph < nph; iph++) {
*(VPhaseList[iph]) = *(pub->VPhaseList[iph]);
*(m_VolPhaseList[iph]) = *(pub->VPhaseList[iph]);
/*
* Fix up the species thermo pointer in the vcs_SpeciesThermo object
* It should point to the species thermo pointer in the private
* data space.
*/
Vphase = VPhaseList[iph];
Vphase = m_VolPhaseList[iph];
for (int k = 0; k < Vphase->NVolSpecies; k++) {
vcs_SpeciesProperties *sProp = Vphase->ListSpeciesPtr[k];
int kT = Vphase->IndSpecies[k];
@ -713,7 +713,7 @@ namespace VCSnonideal {
* Specify the Activity Convention information
*/
for (iph = 0; iph < nph; iph++) {
Vphase = VPhaseList[iph];
Vphase = m_VolPhaseList[iph];
PhaseActConvention[iph] = Vphase->ActivityConvention;
if (Vphase->ActivityConvention != 0) {
/*
@ -789,7 +789,7 @@ namespace VCSnonideal {
m_tolmin2 = 0.01 * m_tolmin;
for (kspec = 0; kspec < m_numSpeciesTot; ++kspec) {
k = m_speciesIndexVector[kspec];
k = m_speciesMapIndex[kspec];
m_molNumSpecies_old[kspec] = pub->w[k];
m_molNumSpecies_new[kspec] = pub->mf[k];
m_feSpecies_curr[kspec] = pub->m_gibbsSpecies[k];
@ -799,7 +799,7 @@ namespace VCSnonideal {
* Transfer the element abundance goals to the solve object
*/
for (i = 0; i < m_numElemConstraints; i++) {
j = IndEl[i];
j = m_elementMapIndex[i];
m_elemAbundancesGoal[i] = pub->gai[j];
}
@ -823,7 +823,7 @@ namespace VCSnonideal {
*/
for (iph = 0; iph < m_numPhases; iph++) {
vcs_VolPhase *vPhase = VPhaseList[iph];
vcs_VolPhase *vPhase = m_VolPhaseList[iph];
vcs_VolPhase *pub_phase_ptr = pub->VPhaseList[iph];
if (vPhase->VP_ID != pub_phase_ptr->VP_ID) {
@ -915,7 +915,7 @@ namespace VCSnonideal {
* Call it K1 and continue.
*/
for (j = 0; j < m_numSpeciesTot; ++j) {
l = m_speciesIndexVector[j];
l = m_speciesMapIndex[j];
k1 = j;
if (l == i) break;
}
@ -939,7 +939,7 @@ namespace VCSnonideal {
int kT = 0;
for (int iph = 0; iph < pub->NPhase; iph++) {
vcs_VolPhase *pubPhase = pub->VPhaseList[iph];
vcs_VolPhase *vPhase = VPhaseList[iph];
vcs_VolPhase *vPhase = m_VolPhaseList[iph];
pubPhase->Existence = vPhase->Existence;
// Note pubPhase is not the same as vPhase, since they contain
// different indexing into the solution vector.
@ -1045,7 +1045,7 @@ double VCS_SOLVE::vcs_VolTotal(double tkelvin, double pres, double w[],
{
double volTot = 0.0;
for (int iphase = 0; iphase < m_numPhases; iphase++) {
vcs_VolPhase *Vphase = VPhaseList[iphase];
vcs_VolPhase *Vphase = m_VolPhaseList[iphase];
Vphase->setState_TP(tkelvin, pres);
Vphase->setMolesFromVCS(w);
double volp = Vphase->VolPM_calc();

35
Cantera/src/equil/vcs_solve.h
View file

@ -1127,32 +1127,45 @@ public:
//! Index vector that keeps track of the species vector rearrangement
/*!
* At the end of each run, the species vector and associated data gets put back
* At the end of each run, the species vector and associated data gets put back
* in the original order.
*
* Example
*
* k = m_speciesIndexVector[kspec]
* k = m_speciesMapIndex[kspec]
*
* kspec = current order in the vcs_solve object
* k = original order in the vcs_prob object and in the MultiPhase object
*/
std::vector<int> m_speciesIndexVector;
std::vector<int> m_speciesMapIndex;
//! Index that keeps track of the index of the species according
//! to the phase
//! Index that keeps track of the index of the species within the local
//! phase
/*!
* indPhSp[k] = Index that keeps track of the index of the species according
* to the phase
* This returns the local index of the species within the phase. It's argument
* is the global species index within the VCS problem.
*
* k = m_speciesLocalPhaseIndex[kspec]
*
* k varies between 0 and the nSpecies in the phase
*
* Length = number of species
*/
std::vector<int> indPhSp;
std::vector<int> m_speciesLocalPhaseIndex;
//! Index vector that keeps track of the rearrangement of the elements
/*!
* IndEl[j]
* At the end of each run, the element vector and associated data gets put back
* in the original order.
*
* Example
*
* e = m_elementMapIndex[eNum]
*
* eNum = current order in the vcs_solve object
* e = original order in the vcs_prob object and in the MultiPhase object
*/
std::vector<int> IndEl;
std::vector<int> m_elementMapIndex;
//! Mapping between the species index for noncomponent species and the
//! full species index.
@ -1237,7 +1250,7 @@ public:
/*!
* Length = number of phases
*/
std::vector<vcs_VolPhase *> VPhaseList;
std::vector<vcs_VolPhase *> m_VolPhaseList;
//! String containing the title of the run
std::string m_title;

62
Cantera/src/equil/vcs_solve_TP.cpp
View file

@ -170,9 +170,9 @@ namespace VCSnonideal {
/* **** Printout the initial conditions for problem ****** */
/* ******************************************************* */
if (m_numPhases > 1) {
if (! VPhaseList[1]->SingleSpecies) {
if (! m_VolPhaseList[1]->SingleSpecies) {
liqphase = TRUE;
numSpecliquid = VPhaseList[1]->NVolSpecies;
numSpecliquid = m_VolPhaseList[1]->NVolSpecies;
}
}
if (print_lvl != 0) {
@ -180,17 +180,17 @@ namespace VCSnonideal {
plogf("%s\n", m_title.c_str());
plogf("\n\n%5d SPECIES%8d ELEMENTS", m_numSpeciesTot, m_numElemConstraints);
plogf("%16d COMPONENTS\n%5d PHASE1 SPECIES", m_numComponents,
((VPhaseList[0])->NVolSpecies));
((m_VolPhaseList[0])->NVolSpecies));
plogf("%10d PHASE2 SPECIES%8d SINGLE SPECIES PHASES\n\n",
numSpecliquid,
m_numSpeciesTot - (VPhaseList[0])->NVolSpecies - numSpecliquid);
m_numSpeciesTot - (m_VolPhaseList[0])->NVolSpecies - numSpecliquid);
//string punits = "atm";
//if (m_VCS_UnitsFormat == 3) {
// punits = "Pa ";
//}
plogf(" PRESSURE%22.8g %3s\n", m_pressurePA, "Pa ");
plogf(" TEMPERATURE%19.3f K\n", m_temperature);
Vphase = VPhaseList[0];
Vphase = m_VolPhaseList[0];
if (Vphase->NVolSpecies > 0) {
plogf(" PHASE1 INERTS%17.3f\n", TPhInertMoles[0]);
}
@ -503,7 +503,7 @@ namespace VCSnonideal {
kspec = m_indexRxnToSpecies[irxn];
sc_irxn = m_stoichCoeffRxnMatrix[irxn];
iph = m_phaseID[kspec];
Vphase = VPhaseList[iph];
Vphase = m_VolPhaseList[iph];
#ifdef DEBUG_MODE
ANOTE[0] = '\0';
#endif
@ -833,7 +833,7 @@ namespace VCSnonideal {
* Set the existence flag
*/
iph = m_phaseID[kspec];
Vphase = VPhaseList[iph];
Vphase = m_VolPhaseList[iph];
Vphase->Existence = 0;
#ifdef DEBUG_MODE
sprintf(ANOTE, "zero SS phase: moles went neg");
@ -1128,7 +1128,7 @@ namespace VCSnonideal {
l2normdg(VCS_DATA_PTR(m_deltaGRxn_old)),
l2normdg(VCS_DATA_PTR(m_deltaGRxn_new)));
plogf(" Total kmoles of gas = %15.7E\n", m_tPhaseMoles_old[0]);
if ((m_numPhases > 1) && (! (VPhaseList[1])->SingleSpecies)) {
if ((m_numPhases > 1) && (! (m_VolPhaseList[1])->SingleSpecies)) {
plogf(" Total kmoles of liquid = %15.7E\n", m_tPhaseMoles_old[1]);
} else {
plogf(" Total kmoles of liquid = %15.7E\n", 0.0);
@ -1184,7 +1184,7 @@ namespace VCSnonideal {
plogf(" --- Phase_Name KMoles(after update)\n");
plogf(" --- "); vcs_print_line("-", 50);
for (iph = 0; iph < m_numPhases; iph++) {
Vphase = VPhaseList[iph];
Vphase = m_VolPhaseList[iph];
plogf(" --- %18s = %15.7E\n", Vphase->PhaseName.c_str(), m_tPhaseMoles_new[iph]);
}
plogf(" "); vcs_print_line("-", 103);
@ -1247,7 +1247,7 @@ namespace VCSnonideal {
*/
justDeletedMultiPhase = FALSE;
for (iph = 0; iph < m_numPhases; iph++) {
Vphase = VPhaseList[iph];
Vphase = m_VolPhaseList[iph];
if (!(Vphase->SingleSpecies)) {
if (m_tPhaseMoles_old[iph] != 0.0 &&
m_tPhaseMoles_old[iph]/m_totalMolNum <= VCS_DELETE_PHASE_CUTOFF) {
@ -1905,8 +1905,8 @@ namespace VCSnonideal {
* This contains the mole fraction that would be true if
* the phase just pops into existence.
*/
i = indPhSp[kspec];
Vphase = VPhaseList[iph];
i = m_speciesLocalPhaseIndex[kspec];
Vphase = m_VolPhaseList[iph];
m_molNumSpecies_new[kspec] = Vphase->molefraction(i);
}
}
@ -1992,7 +1992,7 @@ namespace VCSnonideal {
double *ds_kspec = VCS_DATA_PTR(m_deltaMolNumSpecies) + kspec;
double dg_irxn = m_deltaGRxn_new[irxn];
int iphase = m_phaseID[kspec];
vcs_VolPhase *Vphase = VPhaseList[iphase];
vcs_VolPhase *Vphase = m_VolPhaseList[iphase];
*do_delete = FALSE;
if (m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
if (w_kspec <= 0.0) {
@ -2217,7 +2217,7 @@ namespace VCSnonideal {
{
int klast = m_numSpeciesRdc - 1;
int iph = m_phaseID[kspec];
vcs_VolPhase *Vphase = VPhaseList[iph];
vcs_VolPhase *Vphase = m_VolPhaseList[iph];
int irxn = kspec - m_numComponents; /* This is the noncomponent rxn index */
/*
* Zero the concentration of the species.
@ -2326,7 +2326,7 @@ namespace VCSnonideal {
--(m_numRxnMinorZeroed);
}
int iph = m_phaseID[kspec];
vcs_VolPhase *Vphase = VPhaseList[iph];
vcs_VolPhase *Vphase = m_VolPhaseList[iph];
Vphase->setMolesFromVCSCheck(VCS_DATA_PTR(m_molNumSpecies_old), VCS_DATA_PTR(m_tPhaseMoles_old));
/*
* We may have popped a multispecies phase back
@ -2382,7 +2382,7 @@ namespace VCSnonideal {
void VCS_SOLVE::delete_multiphase(int iph) {
int kspec, j, irxn;
double dx;
vcs_VolPhase *Vphase = VPhaseList[iph];
vcs_VolPhase *Vphase = m_VolPhaseList[iph];
/*
* set the phase existence flag to dead
*/
@ -2853,7 +2853,7 @@ namespace VCSnonideal {
sprintf(ANOTE, "MultSpec: phase come alive DG = %11.3E",
m_deltaGRxn_new[irxn]);
#endif
Vphase = VPhaseList[iph];
Vphase = m_VolPhaseList[iph];
int numSpPhase = Vphase->NVolSpecies;
m_deltaMolNumSpecies[kspec] = m_totalMolNum * 10.0 * VCS_DELETE_PHASE_CUTOFF / numSpPhase;
}
@ -2918,7 +2918,7 @@ namespace VCSnonideal {
}
}
for (j = 0; j < m_numPhases; j++) {
Vphase = VPhaseList[j];
Vphase = m_VolPhaseList[j];
if (! Vphase->SingleSpecies) {
if (m_tPhaseMoles_old[j] > 0.0)
s -= SQUARE(dnPhase_irxn[j]) / m_tPhaseMoles_old[j];
@ -3034,7 +3034,7 @@ namespace VCSnonideal {
}
m_molNumSpecies_old[k] = 0.0;
iph = m_phaseID[k];
Vphase = VPhaseList[iph];
Vphase = m_VolPhaseList[iph];
Vphase->Existence = 0;
m_tPhaseMoles_old[iph] = 0.0;
#ifdef DEBUG_MODE
@ -3229,7 +3229,7 @@ namespace VCSnonideal {
int k;
for (iph = 0; iph < m_numPhases; iph++) {
lneed = FALSE;
vcs_VolPhase *Vphase = VPhaseList[iph];
vcs_VolPhase *Vphase = m_VolPhaseList[iph];
if (! Vphase->SingleSpecies) {
double sum = 0.0;
for (k = 0; k < Vphase->NVolSpecies; k++) {
@ -4037,7 +4037,7 @@ namespace VCSnonideal {
*
*************************************************************************/
{
vcs_VolPhase *Vphase = VPhaseList[iph];
vcs_VolPhase *Vphase = m_VolPhaseList[iph];
int nkk = Vphase->NVolSpecies;
int k, kspec;
@ -4316,7 +4316,7 @@ namespace VCSnonideal {
*/
for (iphase = 0; iphase < m_numPhases; iphase++) {
if (!CurrPhAC[iphase]) {
Vphase = VPhaseList[iphase];
Vphase = m_VolPhaseList[iphase];
if (!Vphase->SingleSpecies) {
Vphase->setMolesFromVCS(z);
Vphase->sendToVCSActCoeff(VCS_DATA_PTR(actCoeff_ptr));
@ -4546,7 +4546,7 @@ namespace VCSnonideal {
sum = 0.0;
for (i = 0; i < m_numPhases; i++) {
sum += m_tPhaseMoles_old[i];
Vphase = VPhaseList[i];
Vphase = m_VolPhaseList[i];
// Took out because we aren't updating mole fractions in Vphase
// Vphase->TMoles = m_tPhaseMoles_old[i];
if (m_tPhaseMoles_old[i] == 0.0) {
@ -4574,7 +4574,7 @@ namespace VCSnonideal {
void VCS_SOLVE::vcs_updateVP(const int vcsState) {
vcs_VolPhase *Vphase;
for (int i = 0; i < m_numPhases; i++) {
Vphase = VPhaseList[i];
Vphase = m_VolPhaseList[i];
if (vcsState == VCS_STATECALC_OLD) {
Vphase->setMolesFromVCSCheck(VCS_DATA_PTR(m_molNumSpecies_old),
VCS_DATA_PTR(m_tPhaseMoles_old), i);
@ -4646,11 +4646,11 @@ namespace VCSnonideal {
/*
* Handle the index pointer in the phase structures first
*/
pv1 = VPhaseList[m_phaseID[k1]];
pv2 = VPhaseList[m_phaseID[k2]];
pv1 = m_VolPhaseList[m_phaseID[k1]];
pv2 = m_VolPhaseList[m_phaseID[k2]];
kp1 = indPhSp[k1];
kp2 = indPhSp[k2];
kp1 = m_speciesLocalPhaseIndex[k1];
kp2 = m_speciesLocalPhaseIndex[k2];
#ifdef DEBUG_MODE
if (pv1->IndSpecies[kp1] != k1) {
plogf("Indexing error in program\n");
@ -4676,8 +4676,8 @@ namespace VCSnonideal {
SWAP(m_feSpecies_new[k1], m_feSpecies_new[k2], t1);
SWAP(m_SSPhase[k1], m_SSPhase[k2], j);
SWAP(m_phaseID[k1], m_phaseID[k2], j);
SWAP(m_speciesIndexVector[k1], m_speciesIndexVector[k2], j);
SWAP(indPhSp[k1], indPhSp[k2], j);
SWAP(m_speciesMapIndex[k1], m_speciesMapIndex[k2], j);
SWAP(m_speciesLocalPhaseIndex[k1], m_speciesLocalPhaseIndex[k2], j);
SWAP(SpecActConvention[k1], SpecActConvention[k2], j);
SWAP(SpecLnMnaught[k1], SpecLnMnaught[k2], t1);
SWAP(m_actCoeffSpecies_new[k1], m_actCoeffSpecies_new[k2], t1);
@ -4757,7 +4757,7 @@ namespace VCSnonideal {
double *dtmp_ptr;
int irxnl = m_numRxnRdc;
if (doDeleted) irxnl = m_numRxnTot;
vcs_VolPhase *vPhase = VPhaseList[iphase];
vcs_VolPhase *vPhase = m_VolPhaseList[iphase];
#ifdef DEBUG_MODE
if (vcs_debug_print_lvl >= 2) {

2
Cantera/src/equil/vcs_species_thermo.cpp
View file

@ -427,7 +427,7 @@ double VCS_SOLVE::vcs_Gxs_calc(int iphase)
int kspec;
double Gxs = 0.0, ac;
double totmol = m_tPhaseMoles_old[iphase];
vcs_VolPhase *Vphase = VPhaseList[iphase];
vcs_VolPhase *Vphase = m_VolPhaseList[iphase];
VCS_SPECIES_THERMO *ts_ptr;
if (totmol != 0.0 && Vphase->Activity_Coeff_Model != VCS_AC_CONSTANT) {