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change of variable names

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This commit is contained in:
Harry Moffat 2008-04-25 00:28:38 +00:00
parent 0f4c0a3f7c
commit afd90fb206
8 changed files with 42 additions and 37 deletions
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6
Cantera/src/equil/vcs_TP.cpp
View file

@ -54,13 +54,13 @@ namespace VCSnonideal {
/*
* Store the temperature and pressure in the private global variables
*/
T = T_arg;
m_temperature = T_arg;
Pres = pres_arg;
/*
* Evaluate the standard state free energies
* at the current temperatures and pressures.
*/
iconv = vcs_evalSS_TP(ipr, ip1, T, pres_arg);
iconv = vcs_evalSS_TP(ipr, ip1, m_temperature, pres_arg);
/*
* Prepare the problem data:
@ -154,7 +154,7 @@ namespace VCSnonideal {
for (int iph = 0; iph < NPhase; iph++) {
vcs_VolPhase* vph = VPhaseList[iph];
vph->setState_TP(T, Pres);
vph->setState_TP(m_temperature, Pres);
vph->sendToVCSGStar(VCS_DATA_PTR(m_SSfeSpecies));
}

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

@ -224,7 +224,7 @@ namespace VCSnonideal {
/* ********************************************************** */
/* **** ESTIMATE REACTION ADJUSTMENTS *********************** */
/* ********************************************************** */
vcs_dzero(VCS_DATA_PTR(DelTPhMoles), NPhase);
vcs_dzero(VCS_DATA_PTR(m_deltaPhaseMoles), NPhase);
for (iph = 0; iph < NPhase; iph++) {
xtphMax[iph] = log(m_tPhaseMoles_new[iph] * 1.0E32);
xtphMin[iph] = log(m_tPhaseMoles_new[iph] * 1.0E-32);
@ -258,7 +258,7 @@ namespace VCSnonideal {
}
for (iph = 0; iph < NPhase; iph++) {
DelTPhMoles[iph] += DnPhase[irxn][iph] * m_deltaMolNumSpecies[kspec];
m_deltaPhaseMoles[iph] += DnPhase[irxn][iph] * m_deltaMolNumSpecies[kspec];
}
}
}

6
Cantera/src/equil/vcs_nondim.cpp
View file

@ -95,7 +95,7 @@ void VCS_SOLVE::vcs_nondim_TP(void) {
double tf;
if (UnitsState == VCS_DIMENSIONAL_G) {
UnitsState = VCS_NONDIMENSIONAL_G;
tf = 1.0 / vcs_nondimMult_TP(m_VCS_UnitsFormat, T);
tf = 1.0 / vcs_nondimMult_TP(m_VCS_UnitsFormat, m_temperature);
for (i = 0; i < m_numSpeciesTot; ++i) {
/*
* Modify the standard state and total chemical potential data,
@ -109,7 +109,7 @@ void VCS_SOLVE::vcs_nondim_TP(void) {
m_feSpecies_old[i] *= tf;
}
Faraday_dim = vcs_nondim_Farad(m_VCS_UnitsFormat, T);
Faraday_dim = vcs_nondim_Farad(m_VCS_UnitsFormat, m_temperature);
if (m_VCS_UnitsFormat == VCS_UNITS_MKS) {
for (i = 0; i < m_numSpeciesTot; ++i) {
if (SpeciesUnknownType[i] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
@ -136,7 +136,7 @@ void VCS_SOLVE::vcs_redim_TP(void)
double tf;
if (UnitsState != VCS_DIMENSIONAL_G) {
UnitsState = VCS_DIMENSIONAL_G;
tf = vcs_nondimMult_TP(m_VCS_UnitsFormat, T);
tf = vcs_nondimMult_TP(m_VCS_UnitsFormat, m_temperature);
for (i = 0; i < m_numSpeciesTot; ++i) {
/*
* Modify the standard state and total chemical potential data,

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

@ -193,7 +193,7 @@ int VCS_SOLVE::vcs_prep_oneTime(int printLvl)
modifiedSoln = true;
if (Pres <= 0.0) pres = 1.0;
else pres = Pres;
retn = vcs_evalSS_TP(0, 0, T, pres);
retn = vcs_evalSS_TP(0, 0, m_temperature, pres);
for (kspec = 0; kspec < m_numSpeciesTot; ++kspec) {
if (SpeciesUnknownType[kspec] == VCS_SPECIES_TYPE_MOLNUM) {
m_molNumSpecies_old[kspec] = - m_SSfeSpecies[kspec];
@ -289,7 +289,7 @@ int VCS_SOLVE::vcs_prep(void) {
vcs_vdzero(m_molNumSpecies_new, m_numSpeciesTot);
vcs_dzero(&(DnPhase[0][0]), m_numSpeciesTot*NPhase);
vcs_izero(&(PhaseParticipation[0][0]), m_numSpeciesTot*NPhase);
vcs_dzero(VCS_DATA_PTR(DelTPhMoles), NPhase);
vcs_dzero(VCS_DATA_PTR(m_deltaPhaseMoles), NPhase);
vcs_dzero(VCS_DATA_PTR(m_tPhaseMoles_new), NPhase);
/*
* Calculate the total number of moles in all phases.

7
Cantera/src/equil/vcs_report.cpp
View file

@ -105,9 +105,10 @@ int VCS_SOLVE::vcs_report(int iconv)
* Calculate some quantities that may need updating
*/
vcs_tmoles();
Vol = vcs_VolTotal(T, Pres, VCS_DATA_PTR(m_molNumSpecies_old), VCS_DATA_PTR(VolPM));
Vol = vcs_VolTotal(m_temperature, Pres,
VCS_DATA_PTR(m_molNumSpecies_old), VCS_DATA_PTR(VolPM));
plogf("\t\tTemperature = %15.2g Kelvin\n", T);
plogf("\t\tTemperature = %15.2g Kelvin\n", m_temperature);
plogf("\t\tPressure = %15.5g Atmos\n", Pres);
plogf("\t\tVolume = %15.5g cm**3\n", Vol);
@ -301,7 +302,7 @@ int VCS_SOLVE::vcs_report(int iconv)
plogf("\n"); print_line("-", 93);
plogf("Chemical Potentials of the Species: (dimensionless)\n");
double rt = vcs_nondimMult_TP(m_VCS_UnitsFormat, T);
double rt = vcs_nondimMult_TP(m_VCS_UnitsFormat, m_temperature);
plogf("\t\t(RT = %g ", rt);
vcs_printChemPotUnits(m_VCS_UnitsFormat);
plogf(")\n");

15
Cantera/src/equil/vcs_solve.cpp
View file

@ -43,7 +43,7 @@ namespace VCSnonideal {
NPhase(0),
iest(0),
TMoles(0.0),
T(0.0),
m_temperature(0.0),
Pres(0.0),
tolmaj(0.0),
tolmin(0.0),
@ -133,7 +133,7 @@ namespace VCSnonideal {
m_tPhaseMoles_old.resize(nphase0, 0.0);
m_tPhaseMoles_new.resize(nphase0, 0.0);
DelTPhMoles.resize(nphase0, 0.0);
m_deltaPhaseMoles.resize(nphase0, 0.0);
TmpPhase.resize(nphase0, 0.0);
TmpPhase2.resize(nphase0, 0.0);
@ -580,8 +580,8 @@ namespace VCSnonideal {
*
* T, Pres, copy over here
*/
if (pub->T > 0.0) T = pub->T;
else T = 293.15;
if (pub->T > 0.0) m_temperature = pub->T;
else m_temperature = 293.15;
if (pub->Pres > 0.0) Pres = pub->Pres;
else Pres = 1.0;
/*
@ -772,7 +772,7 @@ namespace VCSnonideal {
int retn = VCS_SUCCESS;
bool status_change = false;
T = pub->T;
m_temperature = pub->T;
Pres = pub->Pres;
m_VCS_UnitsFormat = pub->m_VCS_UnitsFormat;
iest = pub->iest;
@ -902,7 +902,8 @@ namespace VCSnonideal {
int k1 = 0;
vcs_tmoles();
Vol = vcs_VolTotal(T, Pres, VCS_DATA_PTR(m_molNumSpecies_old), VCS_DATA_PTR(VolPM));
Vol = vcs_VolTotal(m_temperature, Pres,
VCS_DATA_PTR(m_molNumSpecies_old), VCS_DATA_PTR(VolPM));
for (i = 0; i < m_numSpeciesTot; ++i) {
/*
@ -928,7 +929,7 @@ namespace VCSnonideal {
pub->VolPM[i] = VolPM[k1];
}
pub->T = T;
pub->T = m_temperature;
pub->Pres = Pres;
pub->Vol = Vol;
int kT = 0;

4
Cantera/src/equil/vcs_solve.h
View file

@ -668,10 +668,10 @@ public:
/*!
* Length number of phases.
*/
std::vector<double> DelTPhMoles;
std::vector<double> m_deltaPhaseMoles;
//! Temperature (Kelvin)
double T;
double m_temperature;
//! Pressure (units are Pascals)
double Pres;

33
Cantera/src/equil/vcs_solve_TP.cpp
View file

@ -238,7 +238,7 @@ namespace VCSnonideal {
numSpecliquid,
m_numSpeciesTot - (VPhaseList[0])->NVolSpecies - numSpecliquid);
plogf(" PRESSURE%22.3f ATM\n TEMPERATURE%19.3f K\n",
Pres, T);
Pres, m_temperature);
Vphase = VPhaseList[0];
if (Vphase->NVolSpecies > 0) {
plogf(" PHASE1 INERTS%17.3f\n", TPhInertMoles[0]);
@ -250,7 +250,8 @@ namespace VCSnonideal {
plogf(" FROM ESTIMATE Type\n\n");
for (i = 0; i < m_numElemConstraints; ++i) {
print_space(26); plogf("%-2.2s", (ElName[i]).c_str());
plogf("%20.12E%20.12E %3d\n", m_elemAbundancesGoal[i], m_elemAbundances[i], m_elType[i]);
plogf("%20.12E%20.12E %3d\n", m_elemAbundancesGoal[i], m_elemAbundances[i],
m_elType[i]);
}
if (iest < 0) {
plogf("\n MODIFIED LINEAR PROGRAMMING ESTIMATE OF EQUILIBRIUM\n");
@ -279,7 +280,7 @@ namespace VCSnonideal {
print_space(14);
for (i = 0; i < m_numElemConstraints; ++i) plogf(" %-2.2s", ElName[i].c_str());
plogf(" SI(I)\n");
RT = vcs_nondimMult_TP(m_VCS_UnitsFormat, T);
RT = vcs_nondimMult_TP(m_VCS_UnitsFormat, m_temperature);
for (i = 0; i < m_numSpeciesTot; ++i) {
plogf(" %-12s", SpName[i].c_str());
for (j = 0; j < m_numElemConstraints; ++j) {
@ -499,7 +500,7 @@ namespace VCSnonideal {
/*
* Zero out the net change in moles of multispecies phases
*/
vcs_dzero(VCS_DATA_PTR(DelTPhMoles), NPhase);
vcs_dzero(VCS_DATA_PTR(m_deltaPhaseMoles), NPhase);
/* **************************************************************** */
/* ***************** MAIN LOOP IN CALCULATION ******************** */
/* **************************************************************** */
@ -975,11 +976,11 @@ namespace VCSnonideal {
dnPhase_irxn = DnPhase[irxn];
for (iph = 0; iph < NPhase; iph++) {
DelTPhMoles[iph] += dx * dnPhase_irxn[iph];
m_deltaPhaseMoles[iph] += dx * dnPhase_irxn[iph];
}
}
#ifdef DEBUG_MODE
checkDelta1(VCS_DATA_PTR(m_deltaMolNumSpecies), VCS_DATA_PTR(DelTPhMoles), kspec+1);
checkDelta1(VCS_DATA_PTR(m_deltaMolNumSpecies), VCS_DATA_PTR(m_deltaPhaseMoles), kspec+1);
#endif
/*
* Branch point for returning -
@ -1036,7 +1037,7 @@ namespace VCSnonideal {
* conservation.
*/
iph = PhaseID[k];
DelTPhMoles[iph] -= m_deltaMolNumSpecies[k];
m_deltaPhaseMoles[iph] -= m_deltaMolNumSpecies[k];
m_deltaMolNumSpecies[k] = 0.0;
}
}
@ -1057,13 +1058,14 @@ namespace VCSnonideal {
m_deltaMolNumSpecies[i] *= par;
}
for (iph = 0; iph < NPhase; iph++) {
DelTPhMoles[iph] *= par;
m_deltaPhaseMoles[iph] *= par;
}
} else {
par = 1.0;
}
#ifdef DEBUG_MODE
checkDelta1(VCS_DATA_PTR(m_deltaMolNumSpecies), VCS_DATA_PTR(DelTPhMoles), m_numSpeciesTot);
checkDelta1(VCS_DATA_PTR(m_deltaMolNumSpecies),
VCS_DATA_PTR(m_deltaPhaseMoles), m_numSpeciesTot);
#endif
/*
@ -1074,7 +1076,8 @@ namespace VCSnonideal {
*/
for (kspec = 0; kspec < m_numSpeciesTot; ++kspec) {
m_molNumSpecies_new[kspec] = m_molNumSpecies_old[kspec] + m_deltaMolNumSpecies[kspec];
if (m_molNumSpecies_new[kspec] < 0.0 && (SpeciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE)) {
if (m_molNumSpecies_new[kspec] < 0.0 && (SpeciesUnknownType[kspec]
!= VCS_SPECIES_TYPE_INTERFACIALVOLTAGE)) {
plogf("vcs_solve_TP: ERROR on step change wt[%d:%s]: %g < 0.0",
kspec, SpName[kspec].c_str(), m_molNumSpecies_new[kspec]);
plogendl();
@ -1086,7 +1089,7 @@ namespace VCSnonideal {
* Calculate the tentative total mole numbers for each phase
*/
for (iph = 0; iph < NPhase; iph++) {
m_tPhaseMoles_new[iph] = m_tPhaseMoles_old[iph] + DelTPhMoles[iph];
m_tPhaseMoles_new[iph] = m_tPhaseMoles_old[iph] + m_deltaPhaseMoles[iph];
}
/*
* Calculate the new chemical potentials using the tentative
@ -2421,9 +2424,9 @@ namespace VCSnonideal {
/*
* Zero out the total moles counters for the phase
*/
m_tPhaseMoles_old[iph] = 0.0;
m_tPhaseMoles_new[iph] = 0.0;
DelTPhMoles[iph] = 0.0;
m_tPhaseMoles_old[iph] = 0.0;
m_tPhaseMoles_new[iph] = 0.0;
m_deltaPhaseMoles[iph] = 0.0;
/*
* Loop over all of the active species in the phase.
@ -2750,7 +2753,7 @@ namespace VCSnonideal {
m_molNumSpecies_new[kspec] = m_molNumSpecies_old[kspec] + al * m_deltaMolNumSpecies[kspec];
}
for (iph = 0; iph < NPhase; iph++) {
m_tPhaseMoles_new[iph] = m_tPhaseMoles_old[iph] + al * DelTPhMoles[iph];
m_tPhaseMoles_new[iph] = m_tPhaseMoles_old[iph] + al * m_deltaPhaseMoles[iph];
}
vcs_updateVP(1);