[Equil] replace references to Phase::name by Phase::id

ischoegl · ischoegl · commit 3c985044fed1 · 2019-10-07T12:01:37.000-05:00
* reference phases using Phase::id instead
* create private vcs_VolPhase::m_phaseID
* vcs_VolPhase::PhaseID() replaces vcs_VolPhase::PhaseName
* clarify conflation of 'phase id' in vcs_solve (which references a numeric
phase number) rather than a string 'phase id' as used elsewhere
* i.e. VCS_SOLVE::m_phaseNum replaces VCS_SOLVE::m_phaseID
diff --git a/include/cantera/equil/MultiPhase.h b/include/cantera/equil/MultiPhase.h
@@ -670,8 +670,8 @@ inline std::ostream& operator<<(std::ostream& s, MultiPhase& x)
 {
     x.updatePhases();
     for (size_t ip = 0; ip < x.nPhases(); ip++) {
-        if (x.phase(ip).name() != "") {
-            s << "*************** " << x.phase(ip).name() << " *****************" << std::endl;
+        if (x.phase(ip).id() != "") {
+            s << "*************** " << x.phase(ip).id() << " *****************" << std::endl;
         } else {
             s << "*************** Phase " << ip << " *****************" << std::endl;
         }
diff --git a/include/cantera/equil/vcs_VolPhase.h b/include/cantera/equil/vcs_VolPhase.h
@@ -92,11 +92,11 @@ class vcs_VolPhase
     /*!
      * @param phaseNum    index of the phase in the vcs problem
      * @param numSpecies  Number of species in the phase
-     * @param phaseName   String name for the phase
+     * @param phaseID     String identifier for the phase
      * @param molesInert  kmoles of inert in the phase (defaults to zero)
      */
     void resize(const size_t phaseNum, const size_t numSpecies,
-                const size_t numElem, const char* const phaseName,
+                const size_t numElem, const char* const phaseID,
                 const double molesInert = 0.0);
 
     void elemResize(const size_t numElemConstraints);
@@ -623,10 +623,13 @@ class vcs_VolPhase
     size_t m_numSpecies;
 
 public:
-    //! String name for the phase
-    std::string PhaseName;
+    //! String identifier for the phase
+    std::string PhaseID();
 
 private:
+    //! String identifier of the phase
+    std::string m_phaseID;
+
     //!  Total moles of inert in the phase
     double m_totalMolesInert;
 
diff --git a/include/cantera/equil/vcs_solve.h b/include/cantera/equil/vcs_solve.h
@@ -527,7 +527,7 @@ class VCS_SOLVE
      *       in the private data structure. All references to the species
      *       properties must employ the ind[] index vector.
      *    4. Initialization of arrays to zero.
-     *    5. Check to see if the problem is well posed (If all the element 
+     *    5. Check to see if the problem is well posed (If all the element
      *       abundances are zero, the algorithm will fail)
      *
      * @param printLvl Print level of the routine
@@ -1354,7 +1354,7 @@ class VCS_SOLVE
     vector_int m_speciesStatus;
 
     //! Mapping from the species number to the phase number
-    std::vector<size_t> m_phaseID;
+    std::vector<size_t> m_phaseNum;
 
     //! Boolean indicating whether a species belongs to a single-species phase
     // vector<bool> can't be used here because it doesn't work with std::swap
diff --git a/src/equil/MultiPhase.cpp b/src/equil/MultiPhase.cpp
@@ -55,7 +55,7 @@ void MultiPhase::addPhase(ThermoPhase* p, doublereal moles)
 
     if (!p->compatibleWithMultiPhase()) {
         throw CanteraError("MultiPhase::addPhase", "Phase '{}'' is not "
-            "compatible with MultiPhase equilibrium solver", p->name());
+            "compatible with MultiPhase equilibrium solver", p->id());
     }
 
     // save the pointer to the phase object
diff --git a/src/equil/MultiPhaseEquil.cpp b/src/equil/MultiPhaseEquil.cpp
@@ -706,7 +706,7 @@ void MultiPhaseEquil::reportCSV(const std::string& reportFile)
         ThermoPhase& tref = m_mix->phase(iphase);
         ThermoPhase* tp = &tref;
         tp->getMoleFractions(&mf[istart]);
-        string phaseName = tref.name();
+        string phaseID = tref.id();
         double TMolesPhase = phaseMoles(iphase);
         size_t nSpecies = tref.nSpecies();
         activity.resize(nSpecies, 0.0);
@@ -733,7 +733,7 @@ void MultiPhaseEquil::reportCSV(const std::string& reportFile)
             tp->getChemPotentials(mu.data());
 
             if (iphase == 0) {
-                fprintf(FP,"        Name,      Phase,  PhaseMoles,  Mole_Fract, "
+                fprintf(FP,"        Name,    PhaseID,  PhaseMoles,  Mole_Fract, "
                         "Molalities,  ActCoeff,   Activity,"
                         "ChemPot_SS0,   ChemPot,   mole_num,       PMVol, Phase_Volume\n");
 
@@ -746,15 +746,15 @@ void MultiPhaseEquil::reportCSV(const std::string& reportFile)
                 fprintf(FP,"%12s, %11s, %11.3e, %11.3e, %11.3e, %11.3e, %11.3e,"
                         "%11.3e, %11.3e, %11.3e, %11.3e, %11.3e\n",
                         sName.c_str(),
-                        phaseName.c_str(), TMolesPhase,
+                        phaseID.c_str(), TMolesPhase,
                         mf[istart + k], molalities[k], ac[k], activity[k],
                         mu0[k]*1.0E-6, mu[k]*1.0E-6,
                         mf[istart + k] * TMolesPhase,
                         VolPM[k], VolPhaseVolumes);
             }
         } else {
             if (iphase == 0) {
-                fprintf(FP,"        Name,       Phase,  PhaseMoles,  Mole_Fract,  "
+                fprintf(FP,"        Name,     PhaseID,  PhaseMoles,  Mole_Fract,  "
                         "Molalities,   ActCoeff,    Activity,"
                         "  ChemPotSS0,     ChemPot,   mole_num,       PMVol, Phase_Volume\n");
 
@@ -770,7 +770,7 @@ void MultiPhaseEquil::reportCSV(const std::string& reportFile)
                 fprintf(FP,"%12s, %11s, %11.3e, %11.3e, %11.3e, %11.3e, %11.3e, "
                         "%11.3e, %11.3e,% 11.3e, %11.3e, %11.3e\n",
                         sName.c_str(),
-                        phaseName.c_str(), TMolesPhase,
+                        phaseID.c_str(), TMolesPhase,
                         mf[istart + k], molalities[k], ac[k],
                         activity[k], mu0[k]*1.0E-6, mu[k]*1.0E-6,
                         mf[istart + k] * TMolesPhase,
diff --git a/src/equil/vcs_Gibbs.cpp b/src/equil/vcs_Gibbs.cpp
@@ -42,7 +42,7 @@ double VCS_SOLVE::vcs_GibbsPhase(size_t iphase, const double* const w,
     double g = 0.0;
     double phaseMols = 0.0;
     for (size_t kspec = 0; kspec < m_numSpeciesRdc; ++kspec) {
-        if (m_phaseID[kspec] == iphase && m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
+        if (m_phaseNum[kspec] == iphase && m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
             g += w[kspec] * fe[kspec];
             phaseMols += w[kspec];
         }
diff --git a/src/equil/vcs_MultiPhaseEquil.cpp b/src/equil/vcs_MultiPhaseEquil.cpp
@@ -469,7 +469,7 @@ int vcs_MultiPhaseEquil::equilibrate_TP(int estimateEquil,
             } else {
                 plogf("  %15.3e   %15.3e  ", m_mix->speciesMoles(i), m_mix->moleFraction(i));
                 if (m_mix->speciesMoles(i) <= 0.0) {
-                    size_t iph = m_vsolve.m_phaseID[i];
+                    size_t iph = m_vsolve.m_phaseNum[i];
                     vcs_VolPhase* VPhase = m_vsolve.m_VolPhaseList[iph].get();
                     if (VPhase->nSpecies() > 1) {
                         plogf("     -1.000e+300\n");
@@ -533,7 +533,7 @@ void vcs_MultiPhaseEquil::reportCSV(const std::string& reportFile)
 
     for (size_t iphase = 0; iphase < nphase; iphase++) {
         ThermoPhase& tref = m_mix->phase(iphase);
-        string phaseName = tref.name();
+        string phaseID = tref.id();
         vcs_VolPhase* volP = m_vsolve.m_VolPhaseList[iphase].get();
         double TMolesPhase = volP->totalMoles();
         size_t nSpecies = tref.nSpecies();
@@ -562,7 +562,7 @@ void vcs_MultiPhaseEquil::reportCSV(const std::string& reportFile)
             tref.getChemPotentials(&mu[0]);
 
             if (iphase == 0) {
-                fprintf(FP,"        Name,      Phase,  PhaseMoles,  Mole_Fract, "
+                fprintf(FP,"        Name,    PhaseID,  PhaseMoles,  Mole_Fract, "
                         "Molalities,  ActCoeff,   Activity,"
                         "ChemPot_SS0,   ChemPot,   mole_num,       PMVol, Phase_Volume\n");
 
@@ -575,15 +575,15 @@ void vcs_MultiPhaseEquil::reportCSV(const std::string& reportFile)
                 fprintf(FP,"%12s, %11s, %11.3e, %11.3e, %11.3e, %11.3e, %11.3e,"
                         "%11.3e, %11.3e, %11.3e, %11.3e, %11.3e\n",
                         sName.c_str(),
-                        phaseName.c_str(), TMolesPhase,
+                        phaseID.c_str(), TMolesPhase,
                         tref.moleFraction(k), molalities[k], ac[k], activity[k],
                         mu0[k]*1.0E-6, mu[k]*1.0E-6,
                         tref.moleFraction(k) * TMolesPhase,
                         VolPM[k], VolPhaseVolumes);
             }
         } else {
             if (iphase == 0) {
-                fprintf(FP,"        Name,       Phase,  PhaseMoles,  Mole_Fract,  "
+                fprintf(FP,"        Name,     PhaseID,  PhaseMoles,  Mole_Fract,  "
                         "Molalities,   ActCoeff,    Activity,"
                         "  ChemPotSS0,     ChemPot,   mole_num,       PMVol, Phase_Volume\n");
 
@@ -599,7 +599,7 @@ void vcs_MultiPhaseEquil::reportCSV(const std::string& reportFile)
                 fprintf(FP,"%12s, %11s, %11.3e, %11.3e, %11.3e, %11.3e, %11.3e, "
                         "%11.3e, %11.3e,% 11.3e, %11.3e, %11.3e\n",
                         sName.c_str(),
-                        phaseName.c_str(), TMolesPhase,
+                        phaseID.c_str(), TMolesPhase,
                         tref.moleFraction(k), molalities[k], ac[k],
                         activity[k], mu0[k]*1.0E-6, mu[k]*1.0E-6,
                         tref.moleFraction(k) * TMolesPhase,
diff --git a/src/equil/vcs_VolPhase.cpp b/src/equil/vcs_VolPhase.cpp
@@ -28,6 +28,7 @@ vcs_VolPhase::vcs_VolPhase(VCS_SOLVE* owningSolverObject) :
     m_numElemConstraints(0),
     m_elemGlobalIndex(0),
     m_numSpecies(0),
+    m_phaseID("<phase-id>"),
     m_totalMolesInert(0.0),
     m_isIdealSoln(false),
     m_existence(VCS_PHASE_EXIST_NO),
@@ -58,8 +59,13 @@ vcs_VolPhase::~vcs_VolPhase()
     }
 }
 
+std::string vcs_VolPhase::PhaseID()
+{
+    return m_phaseID;
+}
+
 void vcs_VolPhase::resize(const size_t phaseNum, const size_t nspecies,
-                          const size_t numElem, const char* const phaseName,
+                          const size_t numElem, const char* const phaseID,
                           const double molesInert)
 {
     AssertThrowMsg(nspecies > 0, "vcs_VolPhase::resize", "nspecies Error");
@@ -68,17 +74,17 @@ void vcs_VolPhase::resize(const size_t phaseNum, const size_t nspecies,
     m_phiVarIndex = npos;
 
     if (phaseNum == VP_ID_) {
-        if (strcmp(PhaseName.c_str(), phaseName)) {
+        if (strcmp(m_phaseID.c_str(), phaseID)) {
             throw CanteraError("vcs_VolPhase::resize",
-                               "Strings are different: " + PhaseName + " " +
-                               phaseName + " :unknown situation");
+                               "Strings are different: " + m_phaseID + " " +
+                               phaseID + " :unknown situation");
         }
     } else {
         VP_ID_ = phaseNum;
-        if (!phaseName) {
-            PhaseName = fmt::format("Phase_{}", VP_ID_);
+        if (!phaseID) {
+            m_phaseID = fmt::format("Phase_{}", VP_ID_);
         } else {
-            PhaseName = phaseName;
+            m_phaseID = phaseID;
         }
     }
     if (nspecies > 1) {
@@ -589,7 +595,7 @@ void vcs_VolPhase::setPtrThermoPhase(ThermoPhase* tp_ptr)
         if (m_numSpecies != 0) {
             plogf("Warning Nsp != NVolSpeces: %d %d \n", nsp, m_numSpecies);
         }
-        resize(VP_ID_, nsp, nelem, PhaseName.c_str());
+        resize(VP_ID_, nsp, nelem, m_phaseID.c_str());
     }
     TP_ptr->getMoleFractions(&Xmol_[0]);
     creationMoleNumbers_ = Xmol_;
diff --git a/src/equil/vcs_elem.cpp b/src/equil/vcs_elem.cpp
@@ -87,7 +87,7 @@ void VCS_SOLVE::vcs_elabPhase(size_t iphase, double* const elemAbundPhase)
     for (size_t j = 0; j < m_nelem; ++j) {
         elemAbundPhase[j] = 0.0;
         for (size_t i = 0; i < m_nsp; ++i) {
-            if (m_speciesUnknownType[i] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE && m_phaseID[i] == iphase) {
+            if (m_speciesUnknownType[i] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE && m_phaseNum[i] == iphase) {
                 elemAbundPhase[j] += m_formulaMatrix(i,j) * m_molNumSpecies_old[i];
             }
         }
diff --git a/src/equil/vcs_inest.cpp b/src/equil/vcs_inest.cpp
@@ -83,7 +83,7 @@ void VCS_SOLVE::vcs_inest(double* const aw, double* const sa, double* const sm,
     }
     for (size_t kspec = 0; kspec < m_numComponents; ++kspec) {
         if (m_speciesUnknownType[kspec] == VCS_SPECIES_TYPE_MOLNUM) {
-            m_tPhaseMoles_new[m_phaseID[kspec]] += m_molNumSpecies_old[kspec];
+            m_tPhaseMoles_new[m_phaseNum[kspec]] += m_molNumSpecies_old[kspec];
         }
     }
     double TMolesMultiphase = 0.0;
@@ -103,7 +103,7 @@ void VCS_SOLVE::vcs_inest(double* const aw, double* const sa, double* const sm,
     for (size_t kspec = 0; kspec < m_numComponents; ++kspec) {
         if (m_speciesUnknownType[kspec] == VCS_SPECIES_TYPE_MOLNUM) {
             if (! m_SSPhase[kspec]) {
-                size_t iph = m_phaseID[kspec];
+                size_t iph = m_phaseNum[kspec];
                 m_feSpecies_new[kspec] += log(m_molNumSpecies_new[kspec] / m_tPhaseMoles_old[iph]);
             }
         } else {
@@ -140,7 +140,7 @@ void VCS_SOLVE::vcs_inest(double* const aw, double* const sa, double* const sm,
         // the phase exists, it stays. If it doesn't exist in the estimate, it
         // doesn't come into existence here.
         if (! m_SSPhase[kspec]) {
-            size_t iph = m_phaseID[kspec];
+            size_t iph = m_phaseNum[kspec];
             if (m_deltaGRxn_new[irxn] > xtphMax[iph]) {
                 m_deltaGRxn_new[irxn] = 0.8 * xtphMax[iph];
             }
diff --git a/src/equil/vcs_phaseStability.cpp b/src/equil/vcs_phaseStability.cpp
@@ -125,7 +125,7 @@ size_t VCS_SOLVE::vcs_popPhaseID(std::vector<size_t> & phasePopPhaseIDs)
         if (existence > 0) {
             if (m_debug_print_lvl >= 2) {
                 plogf("  ---    %18s %5d           NA       %11.3e\n",
-                      Vphase->PhaseName, existence, m_tPhaseMoles_old[iph]);
+                      Vphase->PhaseID(), existence, m_tPhaseMoles_old[iph]);
             }
         } else {
             if (Vphase->m_singleSpecies) {
@@ -154,7 +154,7 @@ size_t VCS_SOLVE::vcs_popPhaseID(std::vector<size_t> & phasePopPhaseIDs)
 
                 if (m_debug_print_lvl >= 2) {
                     plogf("  ---    %18s %5d %10.3g %10.3g %s\n",
-                          Vphase->PhaseName, existence, Fephase,
+                          Vphase->PhaseID(), existence, Fephase,
                           m_tPhaseMoles_old[iph], anote);
                 }
             } else {
@@ -171,13 +171,13 @@ size_t VCS_SOLVE::vcs_popPhaseID(std::vector<size_t> & phasePopPhaseIDs)
                     }
                     if (m_debug_print_lvl >= 2) {
                         plogf("  ---    %18s %5d  %11.3g %11.3g\n",
-                              Vphase->PhaseName, existence, Fephase,
+                              Vphase->PhaseID(), existence, Fephase,
                               m_tPhaseMoles_old[iph]);
                     }
                 } else {
                     if (m_debug_print_lvl >= 2) {
                         plogf("  ---    %18s %5d   blocked  %11.3g\n",
-                              Vphase->PhaseName,
+                              Vphase->PhaseID(),
                               existence, m_tPhaseMoles_old[iph]);
                     }
                 }
@@ -215,7 +215,7 @@ int VCS_SOLVE::vcs_popPhaseRxnStepSizes(const size_t iphasePop)
                    "called for a phase that exists!");
     if (m_debug_print_lvl >= 2) {
         plogf("  ---  vcs_popPhaseRxnStepSizes() called to pop phase %s %d into existence\n",
-              Vphase->PhaseName, iphasePop);
+              Vphase->PhaseID(), iphasePop);
     }
     // Section for a single-species phase
     if (Vphase->m_singleSpecies) {
@@ -307,7 +307,7 @@ int VCS_SOLVE::vcs_popPhaseRxnStepSizes(const size_t iphasePop)
                 }
             } else {
                 if (m_elType[j] == VCS_ELEM_TYPE_ABSPOS) {
-                    size_t jph = m_phaseID[j];
+                    size_t jph = m_phaseNum[j];
                     if ((jph != iphasePop) && (!m_SSPhase[j])) {
                         double fdeltaJ = fabs(deltaJ);
                         if (m_molNumSpecies_old[j] > 0.0) {
diff --git a/src/equil/vcs_prep.cpp b/src/equil/vcs_prep.cpp
@@ -16,7 +16,7 @@ void VCS_SOLVE::vcs_SSPhase()
 {
     vector_int numPhSpecies(m_numPhases, 0);
     for (size_t kspec = 0; kspec < m_nsp; ++kspec) {
-        numPhSpecies[m_phaseID[kspec]]++;
+        numPhSpecies[m_phaseNum[kspec]]++;
     }
 
     // Handle the special case of a single species in a phase that has been
@@ -37,7 +37,7 @@ void VCS_SOLVE::vcs_SSPhase()
     // information concerning the phase ID of species. SSPhase = Boolean
     // indicating whether a species is in a single species phase or not.
     for (size_t kspec = 0; kspec < m_nsp; kspec++) {
-        size_t iph = m_phaseID[kspec];
+        size_t iph = m_phaseNum[kspec];
         vcs_VolPhase* Vphase = m_VolPhaseList[iph].get();
         if (Vphase->m_singleSpecies) {
             m_SSPhase[kspec] = true;
@@ -70,7 +70,7 @@ int VCS_SOLVE::vcs_prep(int printLvl)
     }
 
     for (size_t kspec = 0; kspec < m_nsp; ++kspec) {
-        size_t pID = m_phaseID[kspec];
+        size_t pID = m_phaseNum[kspec];
         size_t spPhIndex = m_speciesLocalPhaseIndex[kspec];
         vcs_VolPhase* vPhase = m_VolPhaseList[pID].get();
         vcs_SpeciesProperties* spProp = vPhase->speciesProperty(spPhIndex);
diff --git a/src/equil/vcs_prob.cpp b/src/equil/vcs_prob.cpp
@@ -41,12 +41,12 @@ void VCS_SOLVE::prob_report(int print_lvl)
         plogf("\t\tPres = %g atm\n", pres_atm);
         plogf("\n");
         plogf("             Phase IDs of species\n");
-        plogf("            species     phaseID        phaseName   ");
+        plogf("            species     phaseNum       phaseID     ");
         plogf(" Initial_Estimated_Moles   Species_Type\n");
         for (size_t i = 0; i < m_nsp; i++) {
-            vcs_VolPhase* Vphase = m_VolPhaseList[m_phaseID[i]].get();
-            plogf("%16s      %5d   %16s", m_mix->speciesName(i), m_phaseID[i],
-                  Vphase->PhaseName);
+            vcs_VolPhase* Vphase = m_VolPhaseList[m_phaseNum[i]].get();
+            plogf("%16s      %5d   %16s", m_mix->speciesName(i), m_phaseNum[i],
+                  Vphase->PhaseID());
             if (m_doEstimateEquil >= 0) {
                 plogf("             %-10.5g", m_molNumSpecies_old[i]);
             } else {
@@ -65,13 +65,13 @@ void VCS_SOLVE::prob_report(int print_lvl)
         // Printout of the Phase structure information
         writeline('-', 80, true, true);
         plogf("             Information about phases\n");
-        plogf("  PhaseName    PhaseNum SingSpec  GasPhase   "
+        plogf("  PhaseID      PhaseNum SingSpec  GasPhase   "
               " EqnState    NumSpec");
         plogf("  TMolesInert      TKmoles\n");
 
         for (size_t iphase = 0; iphase < m_numPhases; iphase++) {
             vcs_VolPhase* Vphase = m_VolPhaseList[iphase].get();
-            plogf("%16s %5d %5d %8d ", Vphase->PhaseName,
+            plogf("%16s %5d %5d %8d ", Vphase->PhaseID(),
                   Vphase->VP_ID_, Vphase->m_singleSpecies, Vphase->m_gasPhase);
             plogf("%16s %8d %16e ", Vphase->eos_name(),
                   Vphase->nSpecies(), Vphase->totalMolesInert());
@@ -101,7 +101,7 @@ void VCS_SOLVE::prob_report(int print_lvl)
                 size_t kglob = Vphase->spGlobalIndexVCS(kindex);
                 plogf("%16s ", m_mix->speciesName(kglob));
                 if (kindex == 0) {
-                    plogf("%16s", Vphase->PhaseName);
+                    plogf("%16s", Vphase->PhaseID());
                 } else {
                     plogf("                ");
                 }
diff --git a/src/equil/vcs_report.cpp b/src/equil/vcs_report.cpp
diff --git a/src/equil/vcs_rxnadj.cpp b/src/equil/vcs_rxnadj.cpp
diff --git a/src/equil/vcs_solve.cpp b/src/equil/vcs_solve.cpp
diff --git a/src/equil/vcs_solve_TP.cpp b/src/equil/vcs_solve_TP.cpp

Original file line number	Diff line number	Diff line change
`@@ -670,8 +670,8 @@ inline std::ostream& operator<<(std::ostream& s, MultiPhase& x)`
`670`	`670`	`{`
`671`	`671`	`x.updatePhases();`
`672`	`672`	`for (size_t ip = 0; ip < x.nPhases(); ip++) {`
`673`		`- if (x.phase(ip).name() != "") {`
`674`		`- s << "************* " << x.phase(ip).name() << " ***************" << std::endl;`
	`673`	`+ if (x.phase(ip).id() != "") {`
	`674`	`+ s << "************* " << x.phase(ip).id() << " ***************" << std::endl;`
`675`	`675`	`} else {`
`676`	`676`	`s << "************* Phase " << ip << " ***************" << std::endl;`
`677`	`677`	`}`
Original file line number	Diff line number	Diff line change
`@@ -55,7 +55,7 @@ void MultiPhase::addPhase(ThermoPhase* p, doublereal moles)`
`55`	`55`
`56`	`56`	`if (!p->compatibleWithMultiPhase()) {`
`57`	`57`	`throw CanteraError("MultiPhase::addPhase", "Phase '{}'' is not "`
`58`		`- "compatible with MultiPhase equilibrium solver", p->name());`
	`58`	`+ "compatible with MultiPhase equilibrium solver", p->id());`
`59`	`59`	`}`
`60`	`60`
`61`	`61`	`// save the pointer to the phase object`
Original file line number	Diff line number	Diff line change
`@@ -42,7 +42,7 @@ double VCS_SOLVE::vcs_GibbsPhase(size_t iphase, const double* const w,`
`42`	`42`	`double g = 0.0;`
`43`	`43`	`double phaseMols = 0.0;`
`44`	`44`	`for (size_t kspec = 0; kspec < m_numSpeciesRdc; ++kspec) {`
`45`		`- if (m_phaseID[kspec] == iphase && m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {`
	`45`	`+ if (m_phaseNum[kspec] == iphase && m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {`
`46`	`46`	`g += w[kspec] * fe[kspec];`
`47`	`47`	`phaseMols += w[kspec];`
`48`	`48`	`}`
Original file line number	Diff line number	Diff line change
`@@ -87,7 +87,7 @@ void VCS_SOLVE::vcs_elabPhase(size_t iphase, double* const elemAbundPhase)`
`87`	`87`	`for (size_t j = 0; j < m_nelem; ++j) {`
`88`	`88`	`elemAbundPhase[j] = 0.0;`
`89`	`89`	`for (size_t i = 0; i < m_nsp; ++i) {`
`90`		`- if (m_speciesUnknownType[i] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE && m_phaseID[i] == iphase) {`
	`90`	`+ if (m_speciesUnknownType[i] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE && m_phaseNum[i] == iphase) {`
`91`	`91`	`elemAbundPhase[j] += m_formulaMatrix(i,j) * m_molNumSpecies_old[i];`
`92`	`92`	`}`
`93`	`93`	`}`
Original file line number	Diff line number	Diff line change
`@@ -83,7 +83,7 @@ void VCS_SOLVE::vcs_inest(double* const aw, double* const sa, double* const sm,`
`83`	`83`	`}`
`84`	`84`	`for (size_t kspec = 0; kspec < m_numComponents; ++kspec) {`
`85`	`85`	`if (m_speciesUnknownType[kspec] == VCS_SPECIES_TYPE_MOLNUM) {`
`86`		`- m_tPhaseMoles_new[m_phaseID[kspec]] += m_molNumSpecies_old[kspec];`
	`86`	`+ m_tPhaseMoles_new[m_phaseNum[kspec]] += m_molNumSpecies_old[kspec];`
`87`	`87`	`}`
`88`	`88`	`}`
`89`	`89`	`double TMolesMultiphase = 0.0;`
`@@ -103,7 +103,7 @@ void VCS_SOLVE::vcs_inest(double* const aw, double* const sa, double* const sm,`
`103`	`103`	`for (size_t kspec = 0; kspec < m_numComponents; ++kspec) {`
`104`	`104`	`if (m_speciesUnknownType[kspec] == VCS_SPECIES_TYPE_MOLNUM) {`
`105`	`105`	`if (! m_SSPhase[kspec]) {`
`106`		`- size_t iph = m_phaseID[kspec];`
	`106`	`+ size_t iph = m_phaseNum[kspec];`
`107`	`107`	`m_feSpecies_new[kspec] += log(m_molNumSpecies_new[kspec] / m_tPhaseMoles_old[iph]);`
`108`	`108`	`}`
`109`	`109`	`} else {`
`@@ -140,7 +140,7 @@ void VCS_SOLVE::vcs_inest(double* const aw, double* const sa, double* const sm,`
`140`	`140`	`// the phase exists, it stays. If it doesn't exist in the estimate, it`
`141`	`141`	`// doesn't come into existence here.`
`142`	`142`	`if (! m_SSPhase[kspec]) {`
`143`		`- size_t iph = m_phaseID[kspec];`
	`143`	`+ size_t iph = m_phaseNum[kspec];`
`144`	`144`	`if (m_deltaGRxn_new[irxn] > xtphMax[iph]) {`
`145`	`145`	`m_deltaGRxn_new[irxn] = 0.8 * xtphMax[iph];`
`146`	`146`	`}`