From d4b4cec67364b644f7e6b51d17f9816304b6f901 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Tue, 17 Jan 2012 04:13:11 +0000 Subject: [PATCH] Fixed signed/unsigned comparison warnings in VCS Equilibrium solver --- Cantera/src/equil/vcs_Gibbs.cpp | 6 +-- Cantera/src/equil/vcs_MultiPhaseEquil.cpp | 10 ++-- Cantera/src/equil/vcs_TP.cpp | 7 ++- Cantera/src/equil/vcs_VolPhase.cpp | 27 +++++----- Cantera/src/equil/vcs_elem.cpp | 39 +++++++------- Cantera/src/equil/vcs_inest.cpp | 2 +- Cantera/src/equil/vcs_nondim.cpp | 20 ++++--- Cantera/src/equil/vcs_phaseStability.cpp | 26 +++++---- Cantera/src/equil/vcs_prep.cpp | 2 +- Cantera/src/equil/vcs_prob.cpp | 18 +++---- Cantera/src/equil/vcs_report.cpp | 2 +- Cantera/src/equil/vcs_root1d.cpp | 2 +- Cantera/src/equil/vcs_rxnadj.cpp | 2 +- Cantera/src/equil/vcs_setMolesLinProg.cpp | 7 ++- Cantera/src/equil/vcs_solve.cpp | 47 ++++++++--------- Cantera/src/equil/vcs_solve.h | 2 +- Cantera/src/equil/vcs_solve_TP.cpp | 64 ++++++++++------------- Cantera/src/equil/vcs_util.cpp | 18 +++---- 18 files changed, 141 insertions(+), 160 deletions(-) diff --git a/Cantera/src/equil/vcs_Gibbs.cpp b/Cantera/src/equil/vcs_Gibbs.cpp index a88349c81..8d2a36c18 100644 --- a/Cantera/src/equil/vcs_Gibbs.cpp +++ b/Cantera/src/equil/vcs_Gibbs.cpp @@ -35,7 +35,7 @@ namespace VCSnonideal { { double g = 0.0; - for (int iph = 0; iph < m_numPhases; iph++) { + for (size_t iph = 0; iph < m_numPhases; iph++) { vcs_VolPhase *Vphase = m_VolPhaseList[iph]; if ((TPhInertMoles[iph] > 0.0) && (tPhMoles[iph] > 0.0)) { g += TPhInertMoles[iph] * @@ -46,7 +46,7 @@ namespace VCSnonideal { } } - for (int kspec = 0; kspec < m_numSpeciesRdc; ++kspec) { + for (size_t kspec = 0; kspec < m_numSpeciesRdc; ++kspec) { if (m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { g += molesSp[kspec] * chemPot[kspec]; } @@ -68,7 +68,7 @@ namespace VCSnonideal { const double * const fe) { double g = 0.0; double phaseMols = 0.0; - for (int kspec = 0; kspec < m_numSpeciesRdc; ++kspec) { + for (size_t kspec = 0; kspec < m_numSpeciesRdc; ++kspec) { if (m_phaseID[kspec] == iphase) { if (m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { g += w[kspec] * fe[kspec]; diff --git a/Cantera/src/equil/vcs_MultiPhaseEquil.cpp b/Cantera/src/equil/vcs_MultiPhaseEquil.cpp index 1fca7bc68..92bf7b917 100644 --- a/Cantera/src/equil/vcs_MultiPhaseEquil.cpp +++ b/Cantera/src/equil/vcs_MultiPhaseEquil.cpp @@ -649,7 +649,7 @@ namespace VCSnonideal { */ m_mix->uploadMoleFractionsFromPhases(); size_t kGlob = 0; - for (int ip = 0; ip < m_vprob->NPhase; ip++) { + for (size_t ip = 0; ip < m_vprob->NPhase; ip++) { double phaseMole = 0.0; Cantera::ThermoPhase &tref = m_mix->phase(ip); for (size_t k = 0; k < tref.nSpecies(); k++, kGlob++) { @@ -690,7 +690,7 @@ namespace VCSnonideal { plogf(" (J/kmol)\n"); plogf("--------------------------------------------------" "-----------\n"); - for (int i = 0; i < m_vprob->nspecies; i++) { + for (size_t i = 0; i < m_vprob->nspecies; i++) { plogf("%-12s", m_vprob->SpName[i].c_str()); if (m_vprob->SpeciesUnknownType[i] == VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { plogf(" %15.3e %15.3e ", 0.0, m_vprob->mf[i]); @@ -1119,7 +1119,7 @@ namespace VCSnonideal { sProp->SpeciesThermo = ts_ptr; sProp->WtSpecies = tPhase->molecularWeight(k); sProp->FormulaMatrixCol.resize(vprob->ne, 0.0); - for (int e = 0; e < vprob->ne; e++) { + for (size_t e = 0; e < vprob->ne; e++) { sProp->FormulaMatrixCol[e] = vprob->FormulaMatrix[e][kT]; } sProp->Charge = tPhase->charge(k); @@ -1250,7 +1250,7 @@ namespace VCSnonideal { plogf(" Phase IDs of species\n"); plogf(" species phaseID phaseName "); plogf(" Initial_Estimated_kMols\n"); - for (int i = 0; i < vprob->nspecies; i++) { + for (size_t i = 0; i < vprob->nspecies; i++) { size_t iphase = vprob->PhaseID[i]; vcs_VolPhase *VolPhase = vprob->VPhaseList[iphase]; @@ -1267,7 +1267,7 @@ namespace VCSnonideal { plogf(" PhaseName PhaseNum SingSpec GasPhase EqnState NumSpec"); plogf(" TMolesInert Tmoles(kmol)\n"); - for (int iphase = 0; iphase < vprob->NPhase; iphase++) { + for (size_t iphase = 0; iphase < vprob->NPhase; iphase++) { vcs_VolPhase *VolPhase = vprob->VPhaseList[iphase]; std::string sEOS = string16_EOSType(VolPhase->m_eqnState); plogf("%16s %5d %5d %8d %16s %8d %16e ", VolPhase->PhaseName.c_str(), diff --git a/Cantera/src/equil/vcs_TP.cpp b/Cantera/src/equil/vcs_TP.cpp index d97b787cc..3804c0cdc 100644 --- a/Cantera/src/equil/vcs_TP.cpp +++ b/Cantera/src/equil/vcs_TP.cpp @@ -143,14 +143,14 @@ namespace VCSnonideal { // ff[i] = R * spt->GStar_R_calc(i, Temp, pres); //} - for (int iph = 0; iph < m_numPhases; iph++) { + for (size_t iph = 0; iph < m_numPhases; iph++) { vcs_VolPhase* vph = m_VolPhaseList[iph]; vph->setState_TP(m_temperature, m_pressurePA); vph->sendToVCS_GStar(VCS_DATA_PTR(m_SSfeSpecies)); } if (m_VCS_UnitsFormat == VCS_UNITS_UNITLESS) { - for (int i = 0; i < m_numSpeciesTot; ++i) { + for (size_t i = 0; i < m_numSpeciesTot; ++i) { m_SSfeSpecies[i] /= Temp; } } @@ -168,8 +168,7 @@ namespace VCSnonideal { * ***************************************************************************/ { - int i; - for (i = 0; i < m_numSpeciesTot; ++i) { + for (size_t i = 0; i < m_numSpeciesTot; ++i) { /* * For single species phases, initialize the chemical * potential with the value of the standard state chemical diff --git a/Cantera/src/equil/vcs_VolPhase.cpp b/Cantera/src/equil/vcs_VolPhase.cpp index 35301dd03..35727d9a3 100644 --- a/Cantera/src/equil/vcs_VolPhase.cpp +++ b/Cantera/src/equil/vcs_VolPhase.cpp @@ -73,7 +73,7 @@ namespace VCSnonideal { * Destructor for the VolPhase object. */ vcs_VolPhase::~vcs_VolPhase() { - for (int k = 0; k < m_numSpecies; k++) { + for (size_t k = 0; k < m_numSpecies; k++) { vcs_SpeciesProperties *sp = ListSpeciesPtr[k]; delete sp; sp = 0; @@ -164,7 +164,7 @@ namespace VCSnonideal { m_formulaMatrix.resize(m_numElemConstraints, m_numSpecies, 0.0); for (size_t e = 0; e < m_numElemConstraints; e++) { - for (int k = 0; k < m_numSpecies; k++) { + for (size_t k = 0; k < m_numSpecies; k++) { m_formulaMatrix[e][k] = b.m_formulaMatrix[e][k]; } } @@ -292,7 +292,7 @@ namespace VCSnonideal { IndSpecies.resize(nspecies, -1); if ((int) ListSpeciesPtr.size() >= m_numSpecies) { - for (int i = 0; i < m_numSpecies; i++) { + for (size_t i = 0; i < m_numSpecies; i++) { if (ListSpeciesPtr[i]) { delete ListSpeciesPtr[i]; ListSpeciesPtr[i] = 0; @@ -306,7 +306,7 @@ namespace VCSnonideal { Xmol.resize(nspecies, 0.0); fractionCreationDelta_.resize(nspecies, 0.0); - for (int i = 0; i < nspecies; i++) { + for (size_t i = 0; i < nspecies; i++) { Xmol[i] = 1.0/nspecies; fractionCreationDelta_[i] = 1.0/nspecies; } @@ -473,12 +473,12 @@ namespace VCSnonideal { */ void vcs_VolPhase::setMoleFractions(const double * const xmol) { double sum = -1.0; - for (int k = 0; k < m_numSpecies; k++) { + for (size_t k = 0; k < m_numSpecies; k++) { Xmol[k] = xmol[k]; sum+= xmol[k]; } if (std::fabs(sum) > 1.0E-13) { - for (int k = 0; k < m_numSpecies; k++) { + for (size_t k = 0; k < m_numSpecies; k++) { Xmol[k] /= sum; } } @@ -544,7 +544,7 @@ namespace VCSnonideal { } v_totalMoles = totalMoles; double sum = 0.0; - for (int k = 0; k < m_numSpecies; k++) { + for (size_t k = 0; k < m_numSpecies; k++) { Xmol[k] = moleFractions[k]; sum += moleFractions[k]; } @@ -553,7 +553,7 @@ namespace VCSnonideal { exit(EXIT_FAILURE); } if (sum != 1.0) { - for (int k = 0; k < m_numSpecies; k++) { + for (size_t k = 0; k < m_numSpecies; k++) { Xmol[k] /= sum; } } @@ -803,7 +803,7 @@ namespace VCSnonideal { if (!m_UpToDate_GStar) { _updateGStar(); } - for (int k = 0; k < m_numSpecies; k++) { + for (size_t k = 0; k < m_numSpecies; k++) { size_t kglob = IndSpecies[k]; gstar[kglob] = StarChemicalPotential[k]; } @@ -967,7 +967,6 @@ namespace VCSnonideal { * */ void vcs_VolPhase::_updateLnActCoeffJac() { - int k, j; double deltaMoles_j = 0.0; /* @@ -985,7 +984,7 @@ namespace VCSnonideal { /* * Loop over the columns species to be deltad */ - for (j = 0; j < m_numSpecies; j++) { + for (size_t j = 0; j < m_numSpecies; j++) { /* * Calculate a value for the delta moles of species j * -> NOte Xmol[] and Tmoles are always positive or zero @@ -998,7 +997,7 @@ namespace VCSnonideal { * mole fractions based on this. */ v_totalMoles = TMoles_base + deltaMoles_j; - for (k = 0; k < m_numSpecies; k++) { + for (size_t k = 0; k < m_numSpecies; k++) { Xmol[k] = Xmol_Base[k] * TMoles_base / v_totalMoles; } Xmol[j] = (moles_j_base + deltaMoles_j) / v_totalMoles; @@ -1013,7 +1012,7 @@ namespace VCSnonideal { * Calculate the column of the matrix */ double * const lnActCoeffCol = dLnActCoeffdMolNumber[j]; - for (k = 0; k < m_numSpecies; k++) { + for (size_t k = 0; k < m_numSpecies; k++) { lnActCoeffCol[k] = (ActCoeff[k] - ActCoeff_Base[k]) / ((ActCoeff[k] + ActCoeff_Base[k]) * 0.5 * deltaMoles_j); } @@ -1150,7 +1149,7 @@ namespace VCSnonideal { /***************************************************************************/ void vcs_VolPhase::setFractionCreationDeltas(const double * const F_k) { - for (int k = 0; k < m_numSpecies; k++) { + for (size_t k = 0; k < m_numSpecies; k++) { fractionCreationDelta_[k] = F_k[k]; } } diff --git a/Cantera/src/equil/vcs_elem.cpp b/Cantera/src/equil/vcs_elem.cpp index 6e6c20948..d880c3b68 100644 --- a/Cantera/src/equil/vcs_elem.cpp +++ b/Cantera/src/equil/vcs_elem.cpp @@ -17,9 +17,9 @@ namespace VCSnonideal { * back into the global structure */ void VCS_SOLVE::vcs_elab() { - for (int j = 0; j < m_numElemConstraints; ++j) { + for (size_t j = 0; j < m_numElemConstraints; ++j) { m_elemAbundances[j] = 0.0; - for (int i = 0; i < m_numSpeciesTot; ++i) { + for (size_t i = 0; i < m_numSpeciesTot; ++i) { if (m_speciesUnknownType[i] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { m_elemAbundances[j] += m_formulaMatrix[j][i] * m_molNumSpecies_old[i]; } @@ -87,7 +87,7 @@ namespace VCSnonideal { */ numNonZero = 0; multisign = false; - for (int kspec = 0; kspec < m_numSpeciesTot; kspec++) { + for (size_t kspec = 0; kspec < m_numSpeciesTot; kspec++) { eval = m_formulaMatrix[i][kspec]; if (eval < 0.0) { multisign = true; @@ -139,10 +139,9 @@ namespace VCSnonideal { * in m_molNumSpecies_old[]. *************************************************************************/ { - int i, j; - for (j = 0; j < m_numElemConstraints; ++j) { + for (size_t j = 0; j < m_numElemConstraints; ++j) { elemAbundPhase[j] = 0.0; - for (i = 0; i < m_numSpeciesTot; ++i) { + for (size_t i = 0; i < m_numSpeciesTot; ++i) { if (m_speciesUnknownType[i] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { if (m_phaseID[i] == iphase) { elemAbundPhase[j] += m_formulaMatrix[j][i] * m_molNumSpecies_old[i]; @@ -199,7 +198,7 @@ namespace VCSnonideal { * *************************************************************************/ { - int i, j, retn = 0, goodSpec, its; + int retn = 0, goodSpec, its; double xx, par, saveDir, dir; #ifdef DEBUG_MODE @@ -233,7 +232,7 @@ namespace VCSnonideal { int numNonZero = 0; bool changed = false; bool multisign = false; - for (i = 0; i < m_numElemConstraints; ++i) { + for (size_t i = 0; i < m_numElemConstraints; ++i) { numNonZero = 0; multisign = false; for (size_t kspec = 0; kspec < m_numSpeciesTot; kspec++) { @@ -298,7 +297,7 @@ namespace VCSnonideal { * the number of components. */ changed = false; - for (i = 0; i < m_numElemConstraints; ++i) { + for (size_t i = 0; i < m_numElemConstraints; ++i) { int elType = m_elType[i]; if (elType == VCS_ELEM_TYPE_ABSPOS) { for (size_t kspec = 0; kspec < m_numSpeciesTot; kspec++) { @@ -350,15 +349,15 @@ namespace VCSnonideal { * of length nc, not ne, as there may be degenerate rows when * nc .ne. ne. */ - for (i = 0; i < m_numComponents; ++i) { + for (size_t i = 0; i < m_numComponents; ++i) { x[i] = m_elemAbundances[i] - m_elemAbundancesGoal[i]; if (fabs(x[i]) > 1.0E-13) retn = 1; - for (j = 0; j < m_numComponents; ++j) { + for (size_t j = 0; j < m_numComponents; ++j) { aa[j + i*m_numElemConstraints] = m_formulaMatrix[j][i]; } } - i = vcsUtil_mlequ(aa, m_numElemConstraints, m_numComponents, x, 1); - if (i == 1) { + int err = vcsUtil_mlequ(aa, m_numElemConstraints, m_numComponents, x, 1); + if (err == 1) { plogf("vcs_elcorr ERROR: mlequ returned error condition\n"); return VCS_FAILED_CONVERGENCE; } @@ -366,7 +365,7 @@ namespace VCSnonideal { * Now apply the new direction without creating negative species. */ par = 0.5; - for (i = 0; i < m_numComponents; ++i) { + for (size_t i = 0; i < m_numComponents; ++i) { if (m_molNumSpecies_old[i] > 0.0) { xx = -x[i] / m_molNumSpecies_old[i]; if (par < xx) par = xx; @@ -379,7 +378,7 @@ namespace VCSnonideal { if (par < 1.0 && par > 0.0) { retn = 2; par *= 0.9999; - for (i = 0; i < m_numComponents; ++i) { + for (size_t i = 0; i < m_numComponents; ++i) { double tmp = m_molNumSpecies_old[i] + par * x[i]; if (tmp > 0.0) { m_molNumSpecies_old[i] = tmp; @@ -392,7 +391,7 @@ namespace VCSnonideal { } } } else { - for (i = 0; i < m_numComponents; ++i) { + for (size_t i = 0; i < m_numComponents; ++i) { double tmp = m_molNumSpecies_old[i] + x[i]; if (tmp > 0.0) { m_molNumSpecies_old[i] = tmp; @@ -429,7 +428,7 @@ namespace VCSnonideal { } saveDir = 0.0; goodSpec = TRUE; - for (i = 0; i < m_numComponents; ++i) { + for (size_t i = 0; i < m_numComponents; ++i) { dir = m_formulaMatrix[i][kspec] * (m_elemAbundancesGoal[i] - m_elemAbundances[i]); if (fabs(dir) > 1.0E-10) { if (dir > 0.0) { @@ -454,7 +453,7 @@ namespace VCSnonideal { if (goodSpec) { its = 0; xx = 0.0; - for (i = 0; i < m_numComponents; ++i) { + for (size_t i = 0; i < m_numComponents; ++i) { if (m_formulaMatrix[i][kspec] != 0.0) { xx += (m_elemAbundancesGoal[i] - m_elemAbundances[i]) / m_formulaMatrix[i][kspec]; its++; @@ -482,7 +481,7 @@ namespace VCSnonideal { goto L_CLEANUP; } - for (i = 0; i < m_numElemConstraints; ++i) { + for (size_t i = 0; i < m_numElemConstraints; ++i) { if (m_elType[i] == VCS_ELEM_TYPE_CHARGENEUTRALITY || (m_elType[i] == VCS_ELEM_TYPE_ABSPOS && m_elemAbundancesGoal[i] == 0.0)) { for (size_t kspec = 0; kspec < m_numSpeciesRdc; kspec++) { @@ -519,7 +518,7 @@ namespace VCSnonideal { * in the species concentrations to match the desired * electron charge exactly. */ - for (i = 0; i < m_numElemConstraints; ++i) { + for (size_t i = 0; i < m_numElemConstraints; ++i) { double dev = m_elemAbundancesGoal[i] - m_elemAbundances[i]; if (m_elType[i] == VCS_ELEM_TYPE_ELECTRONCHARGE && (fabs(dev) > 1.0E-300)) { bool useZeroed = true; diff --git a/Cantera/src/equil/vcs_inest.cpp b/Cantera/src/equil/vcs_inest.cpp index 44f509751..821e466de 100644 --- a/Cantera/src/equil/vcs_inest.cpp +++ b/Cantera/src/equil/vcs_inest.cpp @@ -107,7 +107,7 @@ namespace VCSnonideal { plogendl(); plogf("%s Element Goal Actual\n", pprefix); int jj = 0; - for (int j = 0; j < m_numElemConstraints; j++) { + for (size_t j = 0; j < m_numElemConstraints; j++) { if (m_elementActive[j]) { double tmp = 0.0; for (kspec = 0; kspec < nspecies; ++kspec) { diff --git a/Cantera/src/equil/vcs_nondim.cpp b/Cantera/src/equil/vcs_nondim.cpp index bd01b84fc..415f8dd49 100644 --- a/Cantera/src/equil/vcs_nondim.cpp +++ b/Cantera/src/equil/vcs_nondim.cpp @@ -104,12 +104,11 @@ namespace VCSnonideal { * the algorithm would have problems. */ void VCS_SOLVE::vcs_nondim_TP() { - int i; double tf; if (m_unitsState == VCS_DIMENSIONAL_G) { m_unitsState = VCS_NONDIMENSIONAL_G; tf = 1.0 / vcs_nondimMult_TP(m_VCS_UnitsFormat, m_temperature); - for (i = 0; i < m_numSpeciesTot; ++i) { + for (size_t i = 0; i < m_numSpeciesTot; ++i) { /* * Modify the standard state and total chemical potential data, * FF(I), to make it dimensionless, i.e., mu / RT. @@ -134,7 +133,7 @@ namespace VCSnonideal { * or the other is specified here. */ double esum = 0.0; - for (i = 0; i < m_numElemConstraints; ++i) { + for (size_t i = 0; i < m_numElemConstraints; ++i) { if (m_elType[i] == VCS_ELEM_TYPE_ABSPOS) { esum += fabs(m_elemAbundancesGoal[i]); } @@ -171,16 +170,16 @@ namespace VCSnonideal { plogendl(); } #endif - for (i = 0; i < m_numSpeciesTot; ++i) { + for (size_t i = 0; i < m_numSpeciesTot; ++i) { if (m_speciesUnknownType[i] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { m_molNumSpecies_old[i] *= (1.0 / m_totalMoleScale); } } - for (i = 0; i < m_numElemConstraints; ++i) { + for (size_t i = 0; i < m_numElemConstraints; ++i) { m_elemAbundancesGoal[i] *= (1.0 / m_totalMoleScale); } - for (int iph = 0; iph < m_numPhases; iph++) { + for (size_t iph = 0; iph < m_numPhases; iph++) { TPhInertMoles[iph] *= (1.0 / m_totalMoleScale); if (TPhInertMoles[iph] != 0.0) { vcs_VolPhase *vphase = m_VolPhaseList[iph]; @@ -205,12 +204,11 @@ namespace VCSnonideal { */ void VCS_SOLVE::vcs_redim_TP(void) { - int i; double tf; if (m_unitsState != VCS_DIMENSIONAL_G) { m_unitsState = VCS_DIMENSIONAL_G; tf = vcs_nondimMult_TP(m_VCS_UnitsFormat, m_temperature); - for (i = 0; i < m_numSpeciesTot; ++i) { + for (size_t i = 0; i < m_numSpeciesTot; ++i) { /* * Modify the standard state and total chemical potential data, * FF(I), to make it have units, i.e. mu = RT * mu_star @@ -230,16 +228,16 @@ namespace VCSnonideal { plogendl(); } #endif - for (i = 0; i < m_numSpeciesTot; ++i) { + for (size_t i = 0; i < m_numSpeciesTot; ++i) { if (m_speciesUnknownType[i] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { m_molNumSpecies_old[i] *= m_totalMoleScale; } } - for (i = 0; i < m_numElemConstraints; ++i) { + for (size_t i = 0; i < m_numElemConstraints; ++i) { m_elemAbundancesGoal[i] *= m_totalMoleScale; } - for (int iph = 0; iph < m_numPhases; iph++) { + for (size_t iph = 0; iph < m_numPhases; iph++) { TPhInertMoles[iph] *= m_totalMoleScale; if (TPhInertMoles[iph] != 0.0) { vcs_VolPhase *vphase = m_VolPhaseList[iph]; diff --git a/Cantera/src/equil/vcs_phaseStability.cpp b/Cantera/src/equil/vcs_phaseStability.cpp index 4d1e9df53..ca7b0fda7 100644 --- a/Cantera/src/equil/vcs_phaseStability.cpp +++ b/Cantera/src/equil/vcs_phaseStability.cpp @@ -75,9 +75,8 @@ namespace VCSnonideal { * @return returns the phase id of the phase that pops back into * existence. Returns -1 if there are no phases */ - int VCS_SOLVE::vcs_popPhaseID() { - int iphasePop = -1; - int iph; + size_t VCS_SOLVE::vcs_popPhaseID() { + size_t iphasePop = -1; size_t irxn, kspec; doublereal FephaseMax = -1.0E30; doublereal Fephase = -1.0E30; @@ -92,7 +91,7 @@ namespace VCSnonideal { plogf(" --------------------------------------------------------------\n"); } #endif - for (iph = 0; iph < m_numPhases; iph++) { + for (size_t iph = 0; iph < m_numPhases; iph++) { Vphase = m_VolPhaseList[iph]; int existence = Vphase->exists(); #ifdef DEBUG_MODE @@ -219,7 +218,6 @@ namespace VCSnonideal { size_t irxn = kspec - m_numComponents; doublereal s; - int j, k; // Calculate the initial moles of the phase being born. // Here we set it to 10x of the value which would cause the phase to be // zeroed out within the algorithm. We may later adjust the value. @@ -243,14 +241,14 @@ namespace VCSnonideal { if (Vphase->m_singleSpecies) { s = 0.0; double *dnPhase_irxn = m_deltaMolNumPhase[irxn]; - for (j = 0; j < m_numComponents; ++j) { + for (size_t j = 0; j < m_numComponents; ++j) { if (!m_SSPhase[j]) { if (m_molNumSpecies_old[j] > 0.0) { s += SQUARE(m_stoichCoeffRxnMatrix[irxn][j]) / m_molNumSpecies_old[j]; } } } - for (j = 0; j < m_numPhases; j++) { + for (size_t j = 0; j < m_numPhases; j++) { Vphase = m_VolPhaseList[j]; if (! Vphase->m_singleSpecies) { if (m_tPhaseMoles_old[j] > 0.0) @@ -276,7 +274,7 @@ namespace VCSnonideal { /* * section to do damping of the m_deltaMolNumSpecies[] */ - for (j = 0; j < m_numComponents; ++j) { + for (size_t j = 0; j < m_numComponents; ++j) { double stoicC = m_stoichCoeffRxnMatrix[irxn][j]; if (stoicC != 0.0) { if (m_elType[j] == VCS_ELEM_TYPE_ABSPOS) { @@ -318,10 +316,10 @@ namespace VCSnonideal { fracDelta = Vphase->fractionCreationDeltas(); double sumFrac = 0.0; - for (k = 0; k < Vphase->nSpecies(); k++) { + for (size_t k = 0; k < Vphase->nSpecies(); k++) { sumFrac += fracDelta[k]; } - for (k = 0; k < Vphase->nSpecies(); k++) { + for (size_t k = 0; k < Vphase->nSpecies(); k++) { X_est[k] = fracDelta[k] / sumFrac; } @@ -331,12 +329,12 @@ namespace VCSnonideal { double * molNumSpecies_tmp = DATA_PTR(m_deltaGRxn_tmp); - for (k = 0; k < Vphase->nSpecies(); k++) { + for (size_t k = 0; k < Vphase->nSpecies(); k++) { kspec = Vphase->spGlobalIndexVCS(k); double delmol = deltaMolNumPhase * X_est[k]; if (kspec >= m_numComponents) { irxn = kspec - m_numComponents; - for (j = 0; j < m_numComponents; ++j) { + for (size_t j = 0; j < m_numComponents; ++j) { double stoicC = m_stoichCoeffRxnMatrix[irxn][j]; if (stoicC != 0.0) { if (m_elType[j] == VCS_ELEM_TYPE_ABSPOS) { @@ -348,7 +346,7 @@ namespace VCSnonideal { } doublereal ratioComp = 0.0; - for (j = 0; j < m_numComponents; ++j) { + for (size_t j = 0; j < m_numComponents; ++j) { double deltaJ = m_molNumSpecies_old[j] - molNumSpecies_tmp[j]; if (molNumSpecies_tmp[j] < 0.0) { ratioComp = 1.0; @@ -387,7 +385,7 @@ namespace VCSnonideal { return 3; } - for (k = 0; k < Vphase->nSpecies(); k++) { + for (size_t k = 0; k < Vphase->nSpecies(); k++) { kspec = Vphase->spGlobalIndexVCS(k); if (kspec < m_numComponents) { m_speciesStatus[kspec] = VCS_SPECIES_COMPONENT; diff --git a/Cantera/src/equil/vcs_prep.cpp b/Cantera/src/equil/vcs_prep.cpp index 2e9e9d30a..0630dd188 100644 --- a/Cantera/src/equil/vcs_prep.cpp +++ b/Cantera/src/equil/vcs_prep.cpp @@ -297,7 +297,7 @@ namespace VCSnonideal { */ bool VCS_SOLVE::vcs_wellPosed(VCS_PROB *vprob) { double sum = 0.0; - for (int e = 0; e < vprob->ne; e++) { + for (size_t e = 0; e < vprob->ne; e++) { sum = sum + vprob->gai[e]; } if (sum < 1.0E-20) { diff --git a/Cantera/src/equil/vcs_prob.cpp b/Cantera/src/equil/vcs_prob.cpp index 232afbfd5..6110b6138 100644 --- a/Cantera/src/equil/vcs_prob.cpp +++ b/Cantera/src/equil/vcs_prob.cpp @@ -87,7 +87,7 @@ namespace VCSnonideal { WtSpecies.resize(nspecies, 0.0); Charge.resize(nspecies, 0.0); SpeciesThermo.resize(nspecies,0); - for (int kspec = 0; kspec < nspecies; kspec++) { + for (size_t kspec = 0; kspec < nspecies; kspec++) { VCS_SPECIES_THERMO *ts_tmp = new VCS_SPECIES_THERMO(0, 0); if (ts_tmp == 0) { plogf("Failed to init a ts struct\n"); @@ -96,7 +96,7 @@ namespace VCSnonideal { SpeciesThermo[kspec] = ts_tmp; } VPhaseList.resize(nph, 0); - for (int iphase = 0; iphase < NPhase; iphase++) { + for (size_t iphase = 0; iphase < NPhase; iphase++) { VPhaseList[iphase] = new vcs_VolPhase(); } } @@ -193,13 +193,12 @@ namespace VCSnonideal { */ void VCS_PROB::set_gai () { - int kspec, j; double *ElemAbund = VCS_DATA_PTR(gai); double *const *const fm = FormulaMatrix.baseDataAddr(); vcs_dzero(ElemAbund, ne); - for (j = 0; j < ne; j++) { - for (kspec = 0; kspec < nspecies; kspec++) { + for (size_t j = 0; j < ne; j++) { + for (size_t kspec = 0; kspec < nspecies; kspec++) { ElemAbund[j] += fm[j][kspec] * w[kspec]; } } @@ -223,7 +222,6 @@ namespace VCSnonideal { */ void VCS_PROB::prob_report(int print_lvl) { m_printLvl = print_lvl; - int i, iphase; vcs_VolPhase *Vphase = 0; /* * Printout the species information: PhaseID's and mole nums @@ -250,7 +248,7 @@ namespace VCSnonideal { plogf(" Phase IDs of species\n"); plogf(" species phaseID phaseName "); plogf(" Initial_Estimated_Moles Species_Type\n"); - for (i = 0; i < nspecies; i++) { + for (size_t i = 0; i < nspecies; i++) { Vphase = VPhaseList[PhaseID[i]]; plogf("%16s %5d %16s", SpName[i].c_str(), PhaseID[i], Vphase->PhaseName.c_str()); @@ -275,7 +273,7 @@ namespace VCSnonideal { " EqnState NumSpec"); plogf(" TMolesInert TKmoles\n"); - for (iphase = 0; iphase < NPhase; iphase++) { + for (size_t iphase = 0; iphase < NPhase; iphase++) { Vphase = VPhaseList[iphase]; std::string EOS_cstr = string16_EOSType(Vphase->m_eqnState); plogf("%16s %5d %5d %8d ", Vphase->PhaseName.c_str(), @@ -293,7 +291,7 @@ namespace VCSnonideal { //fac = 1.0E3; fac = 1.0; } - for (i = 0; i < ne; ++i) { + for (size_t i = 0; i < ne; ++i) { print_space(26); plogf("%-2.2s", ElName[i].c_str()); plogf("%20.12E ", fac * gai[i]); plogf("%3d %3d\n", m_elType[i], ElActive[i]); @@ -314,7 +312,7 @@ namespace VCSnonideal { plogf("\n"); plogf(" Species (phase) " " SS0ChemPot StarChemPot\n"); - for (iphase = 0; iphase < NPhase; iphase++) { + for (size_t iphase = 0; iphase < NPhase; iphase++) { Vphase = VPhaseList[iphase]; Vphase->setState_TP(T, PresPA); for (size_t kindex = 0; kindex < Vphase->nSpecies(); kindex++) { diff --git a/Cantera/src/equil/vcs_report.cpp b/Cantera/src/equil/vcs_report.cpp index c49f8a76f..129b0220b 100644 --- a/Cantera/src/equil/vcs_report.cpp +++ b/Cantera/src/equil/vcs_report.cpp @@ -249,7 +249,7 @@ namespace VCSnonideal { } plogf(" | Gibbs Total |\n"); print_line("-", m_numElemConstraints*10 + 58); - for (int iphase = 0; iphase < m_numPhases; iphase++) { + for (size_t iphase = 0; iphase < m_numPhases; iphase++) { plogf(" %3d ", iphase); vcs_VolPhase *VPhase = m_VolPhaseList[iphase]; plogf("%-12.12s |",VPhase->PhaseName.c_str()); diff --git a/Cantera/src/equil/vcs_root1d.cpp b/Cantera/src/equil/vcs_root1d.cpp index 37d36c3f6..668492724 100644 --- a/Cantera/src/equil/vcs_root1d.cpp +++ b/Cantera/src/equil/vcs_root1d.cpp @@ -129,7 +129,7 @@ static void print_funcEval(FILE *fp, double xval, double fval, int its) FILE *fp = 0; #endif double x1, x2, xnew, f1, f2, fnew, slope; - int its = 0; + size_t its = 0; int posStraddle = 0; int retn = VCS_SUCCESS; int foundPosF = FALSE; diff --git a/Cantera/src/equil/vcs_rxnadj.cpp b/Cantera/src/equil/vcs_rxnadj.cpp index 393d76e2f..f4c4ace7b 100644 --- a/Cantera/src/equil/vcs_rxnadj.cpp +++ b/Cantera/src/equil/vcs_rxnadj.cpp @@ -665,7 +665,7 @@ namespace VCSnonideal { /* * Loop over all of the phases in the problem */ - for (int iphase = 0; iphase < m_numPhases; iphase++) { + for (size_t iphase = 0; iphase < m_numPhases; iphase++) { vcs_VolPhase *Vphase = m_VolPhaseList[iphase]; /* * We don't need to call single species phases; diff --git a/Cantera/src/equil/vcs_setMolesLinProg.cpp b/Cantera/src/equil/vcs_setMolesLinProg.cpp index ff67fd09e..925ef7961 100644 --- a/Cantera/src/equil/vcs_setMolesLinProg.cpp +++ b/Cantera/src/equil/vcs_setMolesLinProg.cpp @@ -87,7 +87,6 @@ int VCS_SOLVE::vcs_setMolesLinProg() { double nu; double delta_xi, dxi_min = 1.0e10; bool redo = true; - int jcomp; int retn; int iter = 0; bool abundancesOK = true; @@ -156,7 +155,7 @@ int VCS_SOLVE::vcs_setMolesLinProg() { dg_rt = m_SSfeSpecies[ik]; dxi_min = 1.0e10; const double *sc_irxn = m_stoichCoeffRxnMatrix[irxn]; - for (jcomp = 0; jcomp < m_numElemConstraints; jcomp++) { + for (size_t jcomp = 0; jcomp < m_numElemConstraints; jcomp++) { dg_rt += m_SSfeSpecies[jcomp] * sc_irxn[jcomp]; } // fwd or rev direction. @@ -167,7 +166,7 @@ int VCS_SOLVE::vcs_setMolesLinProg() { dxi_min = m_molNumSpecies_old[ik]; } - for (jcomp = 0; jcomp < m_numComponents; jcomp++) { + for (size_t jcomp = 0; jcomp < m_numComponents; jcomp++) { nu = sc_irxn[jcomp]; // set max change in progress variable by @@ -196,7 +195,7 @@ int VCS_SOLVE::vcs_setMolesLinProg() { double dsLocal = idir*dxi_min; m_molNumSpecies_old[ik] += dsLocal; m_molNumSpecies_old[ik] = MAX(0.0, m_molNumSpecies_old[ik]); - for (jcomp = 0; jcomp < m_numComponents; jcomp++) { + for (size_t jcomp = 0; jcomp < m_numComponents; jcomp++) { bool full = false; if (m_molNumSpecies_old[jcomp] > 1.0E-15) { full = true; diff --git a/Cantera/src/equil/vcs_solve.cpp b/Cantera/src/equil/vcs_solve.cpp index dca139bbb..45ee8e3e5 100644 --- a/Cantera/src/equil/vcs_solve.cpp +++ b/Cantera/src/equil/vcs_solve.cpp @@ -92,7 +92,6 @@ namespace VCSnonideal { m_numElemConstraints = nelements; m_numComponents = nelements; - int iph; string ser = "VCS_SOLVE: ERROR:\n\t"; if (nspecies0 <= 0) { plogf("%s Number of species is nonpositive\n", ser.c_str()); @@ -208,7 +207,7 @@ namespace VCSnonideal { * Malloc Phase Info */ m_VolPhaseList.resize(nphase0, 0); - for (iph = 0; iph < nphase0; iph++) { + for (size_t iph = 0; iph < nphase0; iph++) { m_VolPhaseList[iph] = new vcs_VolPhase(this); } @@ -455,8 +454,6 @@ namespace VCSnonideal { * initialize the current equilibrium problem */ int VCS_SOLVE::vcs_prob_specifyFully(const VCS_PROB *pub) { - int i, j, kspec; - size_t iph; vcs_VolPhase *Vphase = 0; const char *ser = "vcs_pub_to_priv ERROR :ill defined interface -> bailout:\n\t"; @@ -516,8 +513,8 @@ namespace VCSnonideal { /* * FormulaMatrix[] -> Copy the formula matrix over */ - for (i = 0; i < nspecies; i++) { - for (j = 0; j < nelements; j++) { + for (size_t i = 0; i < nspecies; i++) { + for (size_t j = 0; j < nelements; j++) { m_formulaMatrix[j][i] = pub->FormulaMatrix[j][i]; } } @@ -536,7 +533,7 @@ namespace VCSnonideal { * Malloc and Copy the VCS_SPECIES_THERMO structures * */ - for (kspec = 0; kspec < nspecies; kspec++) { + for (size_t kspec = 0; kspec < nspecies; kspec++) { if (m_speciesThermoList[kspec] != NULL) { delete m_speciesThermoList[kspec]; } @@ -573,12 +570,12 @@ namespace VCSnonideal { * Formulate the Goal Element Abundance Vector */ if (pub->gai.size() != 0) { - for (i = 0; i < nelements; i++) m_elemAbundancesGoal[i] = pub->gai[i]; + for (size_t i = 0; i < nelements; i++) m_elemAbundancesGoal[i] = pub->gai[i]; } else { if (m_doEstimateEquil == 0) { - for (j = 0; j < nelements; j++) { + for (size_t j = 0; j < nelements; j++) { m_elemAbundancesGoal[j] = 0.0; - for (kspec = 0; kspec < nspecies; kspec++) { + for (size_t kspec = 0; kspec < nspecies; kspec++) { if (m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { m_elemAbundancesGoal[j] += m_formulaMatrix[j][kspec] * m_molNumSpecies_old[kspec]; } @@ -608,7 +605,7 @@ namespace VCSnonideal { /* * TPhInertMoles[] -> must be copied over here */ - for (iph = 0; iph < nph; iph++) { + for (size_t iph = 0; iph < nph; iph++) { Vphase = pub->VPhaseList[iph]; TPhInertMoles[iph] = Vphase->totalMolesInert(); } @@ -630,7 +627,7 @@ namespace VCSnonideal { * m_speciesIndexVector[] is an index variable that keep track * of solution vector rotations. */ - for (i = 0; i < nspecies; i++) { + for (size_t i = 0; i < nspecies; i++) { m_speciesMapIndex[i] = i; } @@ -638,12 +635,12 @@ namespace VCSnonideal { * IndEl[] is an index variable that keep track of element vector * rotations. */ - for (i = 0; i < nelements; i++) m_elementMapIndex[i] = i; + for (size_t i = 0; i < nelements; i++) m_elementMapIndex[i] = i; /* * Define all species to be major species, initially. */ - for (i = 0; i < nspecies; i++) { + for (size_t i = 0; i < nspecies; i++) { // m_rxnStatus[i] = VCS_SPECIES_MAJOR; m_speciesStatus[i] = VCS_SPECIES_MAJOR; } @@ -653,8 +650,8 @@ namespace VCSnonideal { */ if (pub->PhaseID.size() != 0) { std::vector numPhSp(nph, 0); - for (kspec = 0; kspec < nspecies; kspec++) { - iph = pub->PhaseID[kspec]; + for (size_t kspec = 0; kspec < nspecies; kspec++) { + size_t iph = pub->PhaseID[kspec]; if (iph < 0 || iph >= nph) { plogf("%sSpecies to Phase Mapping, PhaseID, has a bad value\n", ser); @@ -666,7 +663,7 @@ namespace VCSnonideal { m_speciesLocalPhaseIndex[kspec] = numPhSp[iph]; numPhSp[iph]++; } - for (iph = 0; iph < nph; iph++) { + for (size_t iph = 0; iph < nph; iph++) { Vphase = pub->VPhaseList[iph]; if (numPhSp[iph] != Vphase->nSpecies()) { plogf("%sNumber of species in phase %d, %s, doesn't match\n", @@ -676,7 +673,7 @@ namespace VCSnonideal { } } else { if (m_numPhases == 1) { - for (kspec = 0; kspec < nspecies; kspec++) { + for (size_t kspec = 0; kspec < nspecies; kspec++) { m_phaseID[kspec] = 0; m_speciesLocalPhaseIndex[kspec] = kspec; } @@ -695,7 +692,7 @@ namespace VCSnonideal { /* * Copy over the element names and types */ - for (i = 0; i < nelements; i++) { + for (size_t i = 0; i < nelements; i++) { m_elementName[i] = pub->ElName[i]; m_elType[i] = pub->m_elType[i]; m_elementActive[i] = pub->ElActive[i]; @@ -708,7 +705,7 @@ namespace VCSnonideal { } } - for (i = 0; i < nelements; i++) { + for (size_t i = 0; i < nelements; i++) { if (m_elType[i] == VCS_ELEM_TYPE_CHARGENEUTRALITY) { if (m_elemAbundancesGoal[i] != 0.0) { if (fabs(m_elemAbundancesGoal[i]) > 1.0E-9) { @@ -728,14 +725,14 @@ namespace VCSnonideal { /* * Copy over the species names */ - for (i = 0; i < nspecies; i++) { + for (size_t i = 0; i < nspecies; i++) { m_speciesName[i] = pub->SpName[i]; } /* * Copy over all of the phase information * Use the object's assignment operator */ - for (iph = 0; iph < nph; iph++) { + for (size_t iph = 0; iph < nph; iph++) { *(m_VolPhaseList[iph]) = *(pub->VPhaseList[iph]); /* * Fix up the species thermo pointer in the vcs_SpeciesThermo object @@ -753,7 +750,7 @@ namespace VCSnonideal { /* * Specify the Activity Convention information */ - for (iph = 0; iph < nph; iph++) { + for (size_t iph = 0; iph < nph; iph++) { Vphase = m_VolPhaseList[iph]; m_phaseActConvention[iph] = Vphase->p_activityConvention; if (Vphase->p_activityConvention != 0) { @@ -974,7 +971,7 @@ namespace VCSnonideal { pub->PresPA = m_pressurePA; pub->Vol = m_totalVol; size_t kT = 0; - for (int iph = 0; iph < pub->NPhase; iph++) { + for (size_t iph = 0; iph < pub->NPhase; iph++) { vcs_VolPhase *pubPhase = pub->VPhaseList[iph]; vcs_VolPhase *vPhase = m_VolPhaseList[iph]; pubPhase->setTotalMolesInert(vPhase->totalMolesInert()); @@ -1074,7 +1071,7 @@ namespace VCSnonideal { double VCS_SOLVE::vcs_VolTotal(const double tkelvin, const double pres, const double w[], double volPM[]) { double VolTot = 0.0; - for (int iphase = 0; iphase < m_numPhases; iphase++) { + for (size_t iphase = 0; iphase < m_numPhases; iphase++) { vcs_VolPhase *Vphase = m_VolPhaseList[iphase]; Vphase->setState_TP(tkelvin, pres); Vphase->setMolesFromVCS(VCS_STATECALC_OLD, w); diff --git a/Cantera/src/equil/vcs_solve.h b/Cantera/src/equil/vcs_solve.h index 68cebd637..79ec859d0 100644 --- a/Cantera/src/equil/vcs_solve.h +++ b/Cantera/src/equil/vcs_solve.h @@ -516,7 +516,7 @@ public: * @return returns the phase id of the phase that pops back into * existence. Returns -1 if there are no phases */ - int vcs_popPhaseID(); + size_t vcs_popPhaseID(); //! Calculates the deltas of the reactions due to phases popping //! into existence diff --git a/Cantera/src/equil/vcs_solve_TP.cpp b/Cantera/src/equil/vcs_solve_TP.cpp index daa119fba..5b9f8c6a6 100644 --- a/Cantera/src/equil/vcs_solve_TP.cpp +++ b/Cantera/src/equil/vcs_solve_TP.cpp @@ -52,7 +52,7 @@ namespace VCSnonideal { dchange[iph] += dsLocal[k]; } } - for (int iphase = 0; iphase < m_numPhases; iphase++) { + for (size_t iphase = 0; iphase < m_numPhases; iphase++) { double denom = MAX(m_totalMolNum, 1.0E-4); if (!vcs_doubleEqual(dchange[iphase]/denom, delTPhMoles[iphase]/denom)) { plogf("checkDelta1: we have found a problem\n"); @@ -114,7 +114,7 @@ namespace VCSnonideal { double *sc_irxn = NULL; /* Stoichiometric coefficients for cur rxn */ double *dnPhase_irxn; double atomComp; - int iphasePop; + size_t iphasePop; #ifdef DEBUG_MODE char ANOTE[128]; /* @@ -397,7 +397,7 @@ namespace VCSnonideal { * */ soldel = -1; - if (iphasePop >= 0) { + if (iphasePop != -1) { soldel = vcs_popPhaseRxnStepSizes(iphasePop); if (soldel == 3) { iphasePop = -1; @@ -409,7 +409,7 @@ namespace VCSnonideal { #endif } } - if (iphasePop < 0) { + if (iphasePop == -1) { /* * Figure out the new reaction step sizes * for the major species (do minor species in the future too) @@ -488,7 +488,7 @@ namespace VCSnonideal { #ifdef DEBUG_MODE ANOTE[0] = '\0'; #endif - if (iphasePop >= 0) { + if (iphasePop != -1) { if (iph == iphasePop) { dx = m_deltaMolNumSpecies[kspec]; m_molNumSpecies_new[kspec] = m_molNumSpecies_old[kspec] + m_deltaMolNumSpecies[kspec]; @@ -546,7 +546,7 @@ namespace VCSnonideal { } #endif } else { - for (int j = 0; j < m_numElemConstraints; ++j) { + for (size_t j = 0; j < m_numElemConstraints; ++j) { int elType = m_elType[j]; if (elType == VCS_ELEM_TYPE_ABSPOS) { atomComp = m_formulaMatrix[j][kspec]; @@ -840,7 +840,7 @@ namespace VCSnonideal { ++m_numRxnMinorZeroed; allMinorZeroedSpecies = (m_numRxnMinorZeroed == m_numRxnRdc); - for (int kk = 0; kk < m_numSpeciesTot; kk++) { + for (size_t kk = 0; kk < m_numSpeciesTot; kk++) { m_deltaMolNumSpecies[kk] = 0.0; m_molNumSpecies_new[kk] = m_molNumSpecies_old[kk]; } @@ -2084,7 +2084,6 @@ namespace VCSnonideal { int VCS_SOLVE::delta_species(const size_t kspec, double * const delta_ptr) { size_t irxn = kspec - m_numComponents; int retn = 1; - int j; double tmp; double delta = *delta_ptr; #ifdef DEBUG_MODE @@ -2101,7 +2100,7 @@ namespace VCSnonideal { */ double dx = delta; double *sc_irxn = m_stoichCoeffRxnMatrix[irxn]; - for (j = 0; j < m_numComponents; ++j) { + for (size_t j = 0; j < m_numComponents; ++j) { if (m_molNumSpecies_old[j] > 0.0) { tmp = sc_irxn[j] * dx; if (-tmp > m_molNumSpecies_old[j]) { @@ -2129,7 +2128,7 @@ namespace VCSnonideal { m_tPhaseMoles_old[iph] += dx; vcs_setFlagsVolPhase(iph, false, VCS_STATECALC_OLD); - for (j = 0; j < m_numComponents; ++j) { + for (size_t j = 0; j < m_numComponents; ++j) { tmp = sc_irxn[j] * dx; if (tmp != 0.0) { iph = m_phaseID[j]; @@ -2253,7 +2252,7 @@ namespace VCSnonideal { if (! m_SSPhase[klast]) { if (Vphase->exists() != VCS_PHASE_EXIST_ALWAYS) { bool stillExists = false; - for (int k = 0; k < m_numSpeciesRdc; k++) { + for (size_t k = 0; k < m_numSpeciesRdc; k++) { if (m_speciesUnknownType[k] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { if (m_phaseID[k] == iph) { if (m_molNumSpecies_old[k] > 0.0) { @@ -2432,9 +2431,9 @@ namespace VCSnonideal { } } } - int jcomp; + double deltaLarge, dj, dxWant, dxPerm = 0.0, dxPerm2 = 0.0; - for (int kcomp = 0; kcomp < m_numComponents; ++kcomp) { + for (size_t kcomp = 0; kcomp < m_numComponents; ++kcomp) { if (m_phaseID[kcomp] == iph) { #ifdef DEBUG_MODE if (m_debug_print_lvl >= 2) { @@ -2452,7 +2451,7 @@ namespace VCSnonideal { if (dxWant + m_molNumSpecies_old[kspec] < 0.0) { dxPerm = -m_molNumSpecies_old[kspec]; } - for (jcomp = 0; kcomp < m_numComponents; ++kcomp) { + for (size_t jcomp = 0; kcomp < m_numComponents; ++kcomp) { if (jcomp != kcomp) { if (m_phaseID[jcomp] == iph) { dxPerm = 0.0; @@ -3190,7 +3189,7 @@ namespace VCSnonideal { if (m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { maxConcPossKspec = 1.0E10; nonZeroesKspec = 0; - for (int j = 0; j < m_numElemConstraints; ++j) { + for (size_t j = 0; j < m_numElemConstraints; ++j) { if (m_elementActive[j]) { if (m_elType[j] == VCS_ELEM_TYPE_ABSPOS) { double nu = m_formulaMatrix[j][kspec]; @@ -3642,7 +3641,7 @@ namespace VCSnonideal { * which is so low that species will always be zero * */ - for (int j = 0; j < m_numElemConstraints; ++j) { + for (size_t j = 0; j < m_numElemConstraints; ++j) { int elType = m_elType[j]; if (elType == VCS_ELEM_TYPE_ABSPOS) { double atomComp = m_formulaMatrix[j][kspec]; @@ -3676,7 +3675,7 @@ namespace VCSnonideal { * existence. */ if (irxn >= 0) { - for (int j = 0; j < m_numComponents; ++j) { + for (size_t j = 0; j < m_numComponents; ++j) { double stoicC = m_stoichCoeffRxnMatrix[irxn][j]; if (stoicC != 0.0) { double negChangeComp = - stoicC; @@ -3798,7 +3797,7 @@ namespace VCSnonideal { return VCS_SPECIES_MAJOR; } else { double szAdj = m_scSize[irxn] * std::sqrt((double)m_numRxnTot); - for (int k = 0; k < m_numComponents; ++k) { + for (size_t k = 0; k < m_numComponents; ++k) { if (!(m_SSPhase[k])) { if (m_stoichCoeffRxnMatrix[irxn][k] != 0.0) { if (m_molNumSpecies_old[kspec] * szAdj >= m_molNumSpecies_old[k] * 0.01) { @@ -4437,19 +4436,18 @@ namespace VCSnonideal { * Reconciles Phase existence flags with total moles in each phase. */ double VCS_SOLVE::vcs_tmoles() { - int i; double sum; vcs_VolPhase *Vphase; - for (i = 0; i < m_numPhases; i++) { + for (size_t i = 0; i < m_numPhases; i++) { m_tPhaseMoles_old[i] = TPhInertMoles[i]; } - for (i = 0; i < m_numSpeciesTot; i++) { + for (size_t i = 0; i < m_numSpeciesTot; i++) { if (m_speciesUnknownType[i] == VCS_SPECIES_TYPE_MOLNUM) { m_tPhaseMoles_old[m_phaseID[i]] += m_molNumSpecies_old[i]; } } sum = 0.0; - for (i = 0; i < m_numPhases; i++) { + for (size_t i = 0; i < m_numPhases; i++) { sum += m_tPhaseMoles_old[i]; Vphase = m_VolPhaseList[i]; // Took out because we aren't updating mole fractions in Vphase @@ -4471,7 +4469,7 @@ namespace VCSnonideal { for (i = 0; i < m_numPhases; i++) { double m_tPhaseMoles_old_a = TPhInertMoles[i]; - for (int k = 0; k < m_numSpeciesTot; k++) { + for (size_t k = 0; k < m_numSpeciesTot; k++) { if (m_speciesUnknownType[k] == VCS_SPECIES_TYPE_MOLNUM) { if (m_phaseID[k] == i) { m_tPhaseMoles_old_a += m_molNumSpecies_old[k]; @@ -4499,7 +4497,7 @@ namespace VCSnonideal { */ void VCS_SOLVE::vcs_updateVP(const int vcsState) { vcs_VolPhase *Vphase; - for (int i = 0; i < m_numPhases; i++) { + for (size_t i = 0; i < m_numPhases; i++) { Vphase = m_VolPhaseList[i]; if (vcsState == VCS_STATECALC_OLD) { Vphase->setMolesFromVCSCheck(VCS_STATECALC_OLD, @@ -4570,7 +4568,6 @@ namespace VCSnonideal { * */ bool VCS_SOLVE::vcs_evaluate_speciesType() { - int kspec; bool allMinorZeroedSpecies; m_numRxnMinorZeroed = 0; @@ -4582,7 +4579,7 @@ namespace VCSnonideal { plogendl(); } #endif - for (kspec = 0; kspec < m_numSpeciesTot; ++kspec) { + for (size_t kspec = 0; kspec < m_numSpeciesTot; ++kspec) { m_speciesStatus[kspec] = vcs_species_type(kspec); #ifdef DEBUG_MODE if (m_debug_print_lvl >= 5) { @@ -4864,7 +4861,6 @@ namespace VCSnonideal { * This can probably be solved by successive iteration. * This should be implemented. */ - int k; //alterZeroedPhases = false; if (alterZeroedPhases && false) { for (iph = 0; iph < m_numPhases; iph++) { @@ -4872,7 +4868,7 @@ namespace VCSnonideal { vcs_VolPhase *Vphase = m_VolPhaseList[iph]; if (! Vphase->m_singleSpecies) { double sum = 0.0; - for (k = 0; k < Vphase->nSpecies(); k++) { + for (size_t k = 0; k < Vphase->nSpecies(); k++) { kspec = Vphase->spGlobalIndexVCS(k); if (m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { sum += molNumSpecies[kspec]; @@ -4886,7 +4882,7 @@ namespace VCSnonideal { if (lneed) { double poly = 0.0; - for (k = 0; k < Vphase->nSpecies(); k++) { + for (size_t k = 0; k < Vphase->nSpecies(); k++) { kspec = Vphase->spGlobalIndexVCS(k); // We may need to look at deltaGRxn for components! if (kspec >= m_numComponents) { @@ -4901,7 +4897,7 @@ 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->nSpecies(); k++) { + for (size_t k = 0; k < Vphase->nSpecies(); k++) { kspec = Vphase->spGlobalIndexVCS(k); if (kspec >= m_numComponents) { irxn = kspec - m_numComponents; @@ -5302,15 +5298,14 @@ namespace VCSnonideal { /*******************************************************************************/ void VCS_SOLVE::vcs_setFlagsVolPhases(const bool upToDate, const int stateCalc) { - int iph; vcs_VolPhase *Vphase; if (!upToDate) { - for (iph = 0; iph < m_numPhases; iph++) { + for (size_t iph = 0; iph < m_numPhases; iph++) { Vphase = m_VolPhaseList[iph]; Vphase->setMolesOutOfDate(stateCalc); } } else { - for (iph = 0; iph < m_numPhases; iph++) { + for (size_t iph = 0; iph < m_numPhases; iph++) { Vphase = m_VolPhaseList[iph]; Vphase->setMolesCurrent(stateCalc); } @@ -5338,9 +5333,8 @@ namespace VCSnonideal { * VCS_STATECALC_OLD). */ void VCS_SOLVE::vcs_updateMolNumVolPhases(const int stateCalc) { - int iph; vcs_VolPhase *Vphase; - for (iph = 0; iph < m_numPhases; iph++) { + for (size_t iph = 0; iph < m_numPhases; iph++) { Vphase = m_VolPhaseList[iph]; Vphase->updateFromVCS_MoleNumbers(stateCalc); } diff --git a/Cantera/src/equil/vcs_util.cpp b/Cantera/src/equil/vcs_util.cpp index 5d74b95ea..c9b7a31fa 100644 --- a/Cantera/src/equil/vcs_util.cpp +++ b/Cantera/src/equil/vcs_util.cpp @@ -321,7 +321,7 @@ namespace VCSnonideal { * @param m number of rhs's */ int vcsUtil_mlequ(double *c, size_t idem, size_t n, double *b, size_t m) { - int i, j, k, l; + size_t k; double R; if (n > idem || n <= 0) { plogf("vcsUtil_mlequ ERROR: badly dimensioned matrix: %d %d\n", n, idem); @@ -334,7 +334,7 @@ namespace VCSnonideal { * will be on the diagonal. We can therfore just invert the * diagonal at the end of the program to solve the equation system. */ - for (i = 0; i < n; ++i) { + for (size_t i = 0; i < n; ++i) { if (c[i + i * idem] == 0.0) { /* * Do a simple form of row pivoting to find a non-zero pivot @@ -345,16 +345,16 @@ namespace VCSnonideal { plogf("vcsUtil_mlequ ERROR: Encountered a zero column: %d\n", i); return 1; FOUND_PIVOT: ; - for (j = 0; j < n; ++j) c[i + j * idem] += c[k + j * idem]; - for (j = 0; j < m; ++j) b[i + j * idem] += b[k + j * idem]; + for (size_t j = 0; j < n; ++j) c[i + j * idem] += c[k + j * idem]; + for (size_t j = 0; j < m; ++j) b[i + j * idem] += b[k + j * idem]; } - for (l = 0; l < n; ++l) { + for (size_t l = 0; l < n; ++l) { if (l != i && c[l + i * idem] != 0.0) { R = c[l + i * idem] / c[i + i * idem]; c[l + i * idem] = 0.0; - for (j = i+1; j < n; ++j) c[l + j * idem] -= c[i + j * idem] * R; - for (j = 0; j < m; ++j) b[l + j * idem] -= b[i + j * idem] * R; + for (size_t j = i+1; j < n; ++j) c[l + j * idem] -= c[i + j * idem] * R; + for (size_t j = 0; j < m; ++j) b[l + j * idem] -= b[i + j * idem] * R; } } } @@ -362,8 +362,8 @@ namespace VCSnonideal { * The negative in the last expression is due to the form of B upon * input */ - for (i = 0; i < n; ++i) { - for (j = 0; j < m; ++j) { + for (size_t i = 0; i < n; ++i) { + for (size_t j = 0; j < m; ++j) { b[i + j * idem] = -b[i + j * idem] / c[i + i*idem]; } }