From 69bffa380046aa430716a4f5632c19ebce471159 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Tue, 17 Jan 2012 04:10:26 +0000 Subject: [PATCH] Fixing compiler warnings, part 2 --- Cantera/src/base/ctml.cpp | 13 +- Cantera/src/base/vec_functions.h | 8 +- Cantera/src/equil/ChemEquil.cpp | 25 ++- Cantera/src/equil/ChemEquil.h | 8 +- Cantera/src/equil/MultiPhase.cpp | 2 +- Cantera/src/equil/MultiPhaseEquil.cpp | 2 +- Cantera/src/equil/vcs_dbocls.c | 6 +- Cantera/src/equil/vcs_dbols.c | 6 +- Cantera/src/equil/vcs_dbolsm.c | 14 +- Cantera/src/equil/vcs_phaseStability.cpp | 4 +- Cantera/src/thermo/ConstDensityThermo.cpp | 15 +- Cantera/src/thermo/ConstDensityThermo.h | 2 +- Cantera/src/thermo/Constituents.cpp | 58 +++--- Cantera/src/thermo/Constituents.h | 26 +-- Cantera/src/thermo/DebyeHuckel.cpp | 69 +++---- Cantera/src/thermo/Elements.cpp | 10 +- Cantera/src/thermo/Elements.h | 8 +- Cantera/src/thermo/GibbsExcessVPSSTP.cpp | 2 +- Cantera/src/thermo/HMWSoln.cpp | 183 +++++++++--------- Cantera/src/thermo/HMWSoln_input.cpp | 106 +++++----- Cantera/src/thermo/IdealGasPhase.cpp | 15 +- Cantera/src/thermo/IdealGasPhase.h | 2 +- Cantera/src/thermo/IdealMolalSoln.cpp | 15 +- Cantera/src/thermo/IdealSolidSolnPhase.cpp | 19 +- Cantera/src/thermo/IdealSolidSolnPhase.h | 2 +- Cantera/src/thermo/IdealSolnGasVPSS.cpp | 2 +- Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp | 11 +- Cantera/src/thermo/IonsFromNeutralVPSSTP.h | 6 +- Cantera/src/thermo/LatticePhase.cpp | 9 +- Cantera/src/thermo/LatticePhase.h | 2 +- Cantera/src/thermo/LatticeSolidPhase.cpp | 52 ++--- Cantera/src/thermo/MargulesVPSSTP.cpp | 16 +- Cantera/src/thermo/MargulesVPSSTP.h | 4 +- Cantera/src/thermo/MineralEQ3.cpp | 7 +- Cantera/src/thermo/MolalityVPSSTP.cpp | 62 +++--- Cantera/src/thermo/MolalityVPSSTP.h | 2 +- .../src/thermo/Nasa9PolyMultiTempRegion.cpp | 18 +- Cantera/src/thermo/PDSS_HKFT.cpp | 8 +- Cantera/src/thermo/PDSS_IonsFromNeutral.cpp | 2 +- Cantera/src/thermo/PDSS_IonsFromNeutral.h | 4 +- Cantera/src/thermo/Phase.cpp | 45 ++--- Cantera/src/thermo/Phase.h | 18 +- Cantera/src/thermo/PseudoBinaryVPSSTP.cpp | 2 +- Cantera/src/thermo/PseudoBinaryVPSSTP.h | 12 +- Cantera/src/thermo/PureFluidPhase.cpp | 7 +- Cantera/src/thermo/SemiconductorPhase.cpp | 3 +- Cantera/src/thermo/SpeciesThermoFactory.cpp | 10 +- Cantera/src/thermo/State.cpp | 14 +- Cantera/src/thermo/State.h | 6 +- Cantera/src/thermo/StoichSubstance.cpp | 7 +- Cantera/src/thermo/StoichSubstance.h | 2 +- Cantera/src/thermo/ThermoFactory.cpp | 22 +-- Cantera/src/thermo/VPStandardStateTP.cpp | 8 +- Cantera/src/thermo/VPStandardStateTP.h | 6 +- Cantera/src/transport/AqueousTransport.cpp | 4 +- Cantera/src/transport/AqueousTransport.h | 4 +- Cantera/src/transport/MixTransport.h | 2 +- 57 files changed, 468 insertions(+), 529 deletions(-) diff --git a/Cantera/src/base/ctml.cpp b/Cantera/src/base/ctml.cpp index 05ccfebde..bae797b6e 100644 --- a/Cantera/src/base/ctml.cpp +++ b/Cantera/src/base/ctml.cpp @@ -1127,10 +1127,8 @@ namespace ctml { string val; vector v; getStringArray(node, v); - int icol, irow; - int n = static_cast(v.size()); string::size_type icolon; - for (int i = 0; i < n; i++) { + for (size_t i = 0; i < v.size(); i++) { icolon = v[i].find(":"); if (icolon == string::npos) { throw CanteraError("getMatrixValues","Missing two colons (" @@ -1145,9 +1143,10 @@ namespace ctml { } key2 = rmm.substr(0,icolon); val = rmm.substr(icolon+1, rmm.size()); - icol = -1; - irow = -1; - for (int j = 0; j < szKey1; j++) { + + size_t icol = -1; + size_t irow = -1; + for (size_t j = 0; j < szKey1; j++) { if (key1 == keyStringRow[j]) { irow = j; break; @@ -1157,7 +1156,7 @@ namespace ctml { throw CanteraError("getMatrixValues","Row not matched by string: " + key1); } - for (int j = 0; j < szKey2; j++) { + for (size_t j = 0; j < szKey2; j++) { if (key2 == keyStringCol[j]) { icol = j; break; diff --git a/Cantera/src/base/vec_functions.h b/Cantera/src/base/vec_functions.h index d7c2e7a53..f219645d9 100644 --- a/Cantera/src/base/vec_functions.h +++ b/Cantera/src/base/vec_functions.h @@ -175,7 +175,7 @@ namespace Cantera { * @param len Length of the copy */ inline void fbo_copy_dbl_1(doublereal * const copyTo, const doublereal * const copyFrom, - const int len) { + const size_t len) { if (len > 0) { (void) memcpy((void *)copyTo, (const void *)copyFrom, len * sizeof(doublereal)); } @@ -190,7 +190,7 @@ namespace Cantera { * @param len Length of the copy */ inline void fvo_copy_dbl_1(std::vector ©To, const std::vector ©From, - const int len) { + const size_t len) { if (len > 0) { (void) memcpy((void *)(©To[0]), (const void *)(©From[0]), len * sizeof(doublereal)); } @@ -203,7 +203,7 @@ namespace Cantera { * @param v Vector to be zeroed * @param len Length of the copy */ - inline void fbo_zero_dbl_1(doublereal * const v, const int len) { + inline void fbo_zero_dbl_1(doublereal * const v, const size_t len) { if (len > 0) { (void) memset((void *)v, 0, len * sizeof(doublereal)); } @@ -216,7 +216,7 @@ namespace Cantera { * @param v Vector to be zeroed * @param len Length of the copy */ - inline void fvo_zero_dbl_1(std::vector &v, const int len) { + inline void fvo_zero_dbl_1(std::vector &v, const size_t len) { if (len > 0) { (void) memset((void *)(&v[0]), 0, len * sizeof(doublereal)); } diff --git a/Cantera/src/equil/ChemEquil.cpp b/Cantera/src/equil/ChemEquil.cpp index 91a469e41..314d82df8 100755 --- a/Cantera/src/equil/ChemEquil.cpp +++ b/Cantera/src/equil/ChemEquil.cpp @@ -317,7 +317,6 @@ namespace Cantera { int ChemEquil::estimateElementPotentials(thermo_t& s, vector_fp& lambda_RT, vector_fp& elMolesGoal, int loglevel) { - int m, n; if (loglevel > 0) beginLogGroup("estimateElementPotentials"); //for (k = 0; k < m_kk; k++) { @@ -333,7 +332,7 @@ namespace Cantera { vector_fp xMF_est(m_kk, 0.0); s.getMoleFractions(DATA_PTR(xMF_est)); - for (n = 0; n < s.nSpecies(); n++) { + for (size_t n = 0; n < s.nSpecies(); n++) { if (xMF_est[n] < 1.0E-20) { xMF_est[n] = 1.0E-20; } @@ -350,7 +349,7 @@ namespace Cantera { mp, m_orderVectorSpecies, m_orderVectorElements, formRxnMatrix); - for (m = 0; m < m_nComponents; m++) { + for (size_t m = 0; m < m_nComponents; m++) { int k = m_orderVectorSpecies[m]; m_component[m] = k; if (xMF_est[k] < 1.0E-8) { @@ -377,7 +376,7 @@ namespace Cantera { #ifdef DEBUG_MODE if (ChemEquil_print_lvl > 0) { PrintCtrl pc(std::cout, -28, PrintCtrl::CT_OFF_GLOBALOBEY); - for (m = 0; m < m_nComponents; m++) { + for (size_t m = 0; m < m_nComponents; m++) { int isp = m_component[m]; string nnn = s.speciesName(isp); writelogf("isp = %d, %s\n", isp, nnn.c_str()); @@ -387,7 +386,7 @@ namespace Cantera { writelogf("Pressure = %g\n", pres); writelogf("Temperature = %g\n", temp); writelog(" id Name MF mu/RT \n"); - for (n = 0; n < s.nSpecies(); n++) { + for (size_t n = 0; n < s.nSpecies(); n++) { string nnn = s.speciesName(n); double mf = pc.cropAbs10(xMF_est[n], -28); writelogf("%10d %15s %10.5g %10.5g\n", @@ -396,8 +395,8 @@ namespace Cantera { } #endif DenseMatrix aa(m_nComponents, m_nComponents, 0.0); - for (m = 0; m < m_nComponents; m++) { - for (n = 0; n < m_nComponents; n++) { + for (size_t m = 0; m < m_nComponents; m++) { + for (size_t n = 0; n < m_nComponents; n++) { aa(m,n) = nAtoms(m_component[m], m_orderVectorElements[n]); } b[m] = mu_RT[m_component[m]]; @@ -412,15 +411,15 @@ namespace Cantera { addLogEntry("failed to estimate initial element potentials."); info = -2; } - for (m = 0; m < m_nComponents; m++) { + for (size_t m = 0; m < m_nComponents; m++) { lambda_RT[m_orderVectorElements[m]] = b[m]; } - for (m = m_nComponents; m < m_mm; m++) { + for (size_t m = m_nComponents; m < m_mm; m++) { lambda_RT[m_orderVectorElements[m]] = 0.0; } if (info == 0) { if (loglevel > 0) { - for (m = 0; m < m_mm; m++) { + for (size_t m = 0; m < m_mm; m++) { addLogEntry(s.elementName(m),lambda_RT[m]); } } @@ -429,11 +428,11 @@ namespace Cantera { #ifdef DEBUG_MODE if (ChemEquil_print_lvl > 0) { writelog(" id CompSpecies ChemPot EstChemPot Diff\n"); - for (m = 0; m < m_nComponents; m++) { + for (size_t m = 0; m < m_nComponents; m++) { int isp = m_component[m]; double tmp = 0.0; string sname = s.speciesName(isp); - for (n = 0; n < m_mm; n++) { + for (size_t n = 0; n < m_mm; n++) { tmp += nAtoms(isp, n) * lambda_RT[n]; } writelogf("%3d %16s %10.5g %10.5g %10.5g\n", @@ -441,7 +440,7 @@ namespace Cantera { } writelog(" id ElName Lambda_RT\n"); - for (m = 0; m < m_mm; m++) { + for (size_t m = 0; m < m_mm; m++) { string ename = s.elementName(m); writelogf(" %3d %6s %10.5g\n", m, ename.c_str(), lambda_RT[m]); } diff --git a/Cantera/src/equil/ChemEquil.h b/Cantera/src/equil/ChemEquil.h index b2f990b1d..2f0b09c0d 100755 --- a/Cantera/src/equil/ChemEquil.h +++ b/Cantera/src/equil/ChemEquil.h @@ -168,9 +168,9 @@ namespace Cantera { vector_fp& eMolesCalc, vector_fp& n_i_calc, double pressureConst); - int m_mm; - int m_kk; - int m_skip; + size_t m_mm; + size_t m_kk; + size_t m_skip; /** * This is equal to the rank of the stoichiometric coefficient @@ -215,7 +215,7 @@ namespace Cantera { * Index of the element id corresponding to the electric charge of each * species. Equal to -1 if there is no such element id. */ - int m_eloc; + size_t m_eloc; vector_fp m_startSoln; diff --git a/Cantera/src/equil/MultiPhase.cpp b/Cantera/src/equil/MultiPhase.cpp index 6e1697737..e27fe7c6e 100644 --- a/Cantera/src/equil/MultiPhase.cpp +++ b/Cantera/src/equil/MultiPhase.cpp @@ -508,7 +508,7 @@ namespace Cantera { } for (index_t ip = 0; ip < m_np; ip++) { phase_t* p = m_phase[ip]; - int nspPhase = p->nSpecies(); + size_t nspPhase = p->nSpecies(); doublereal phasemoles = m_moles[ip]; for (ik = 0; ik < nspPhase; ik++) { kGlobal = loc + ik; diff --git a/Cantera/src/equil/MultiPhaseEquil.cpp b/Cantera/src/equil/MultiPhaseEquil.cpp index 370034b1d..f93ea5c3d 100644 --- a/Cantera/src/equil/MultiPhaseEquil.cpp +++ b/Cantera/src/equil/MultiPhaseEquil.cpp @@ -460,7 +460,7 @@ namespace Cantera { // The left m_nel columns of A are now upper-diagonal. Now // reduce the m_nel columns to diagonal form by back-solving for (m = nRows-1; m > 0; m--) { - for (size_t n = m-1; n>= 0; n--) { + for (int n = m-1; n>= 0; n--) { if (m_A(n,m) != 0.0) { fctr = m_A(n,m); for (k = m; k < m_nsp; k++) { diff --git a/Cantera/src/equil/vcs_dbocls.c b/Cantera/src/equil/vcs_dbocls.c index 65765ebc5..9482f212c 100644 --- a/Cantera/src/equil/vcs_dbocls.c +++ b/Cantera/src/equil/vcs_dbocls.c @@ -700,8 +700,8 @@ static integer c__4 = 4; if (bl[j] > bu[j]) { nerr = 57; nchar = 58; - rdum2 = bl[j]; - rdum = bu[j]; + rdum2 = (real) bl[j]; + rdum = (real) bu[j]; xerrwv_("DBOCLS(). FOR J=(I1), BOUND BL(J)=(R1) IS .GT. " "BU(J)=(R2).", &nchar, &nerr, &level, &c__1, &j, & idum, &c__2, &rdum2, &rdum, (ftnlen)58); @@ -905,7 +905,7 @@ L30: if (rw[j] <= zero) { nerr = 50; nchar = 84; - rdum2 = rw[j]; + rdum2 = (real) rw[j]; xerrwv_("DBOCLS(). EACH PROVIDED COL. SCALE FACTOR M" "UST BE POSITIVE. COMP. (I1) NOW = (R1).", & nchar, &nerr, &level, &c__1, &j, &idum, &c__1, diff --git a/Cantera/src/equil/vcs_dbols.c b/Cantera/src/equil/vcs_dbols.c index 8d0e2ce56..6fe16e998 100644 --- a/Cantera/src/equil/vcs_dbols.c +++ b/Cantera/src/equil/vcs_dbols.c @@ -549,8 +549,8 @@ static integer c__2 = 2; if (bl[j] > bu[j]) { nerr = 5; nchar = 57; - rdum2 = bl[j]; - rdum = bu[j]; + rdum2 = (real) bl[j]; + rdum = (real) bu[j]; xerrwv_("DBOLS(). FOR J=(I1), BOUND BL(J)=(R1) IS .GT. B" "U(J)=(R2).", &nchar, &nerr, &level, &c__1, &j, & idum, &c__2, &rdum2, &rdum, (ftnlen)57); @@ -691,7 +691,7 @@ L30: if (rw[j] <= zero) { nerr = 9; nchar = 85; - rdum2 = rw[j]; + rdum2 = (real) rw[j]; xerrwv_("DBOLS(). EACH PROVIDED COL. SCALE FACTOR MU" "ST BE POSITIVE. COMPONENT (I1) NOW = (R1).", & nchar, &nerr, &level, &c__1, &j, &idum, &c__1, diff --git a/Cantera/src/equil/vcs_dbolsm.c b/Cantera/src/equil/vcs_dbolsm.c index f1898d298..aedd200ac 100644 --- a/Cantera/src/equil/vcs_dbolsm.c +++ b/Cantera/src/equil/vcs_dbolsm.c @@ -662,8 +662,8 @@ static integer c__4 = 4; if (bu[j] < bl[j]) { nerr = 35; nchar = 71; - rdum2 = bl[j]; - rdum = bu[j]; + rdum2 = (real) bl[j]; + rdum = (real) bu[j]; xerrwv_("DBOLSM(). FOR J=(I1) THE LOWER BOUND=(R1) IS .GT. T" "HE UPPER BOUND=(R2).", &nchar, &nerr, &level, &c__1, & j, &idum, &c__2, &rdum2, &rdum, (ftnlen)71); @@ -1431,8 +1431,8 @@ L590: nerr = 25; nlevel = 0; nchar = 88; - rdum2 = tolind; - rdum = d1mach_(&c__4); + rdum2 = (real) tolind; + rdum = (real) d1mach_(&c__4); xerrwv_("DBOLSM(). THE TOLERANCE FOR RANK DETERMINATION=(R1)" " IS LESS THAN MACHINE PRECISION=(R2).", &nchar, &nerr, &nlevel, &c__0, &idum, &idum, &c__2, &rdum2, &rdum, ( @@ -1460,7 +1460,7 @@ L590: tolsze = x[*ncols + ioff]; if (tolsze <= zero) { nerr = 27; - rdum2 = tolsze; + rdum2 = (real) tolsze; xerrwv_("DBOLSM(). THE RECIPROCAL OF THE BLOW-UP FACTOR FOR " "REJECTING VARIABLES MUST BE POSITIVE. NOW=(R1).", & nchar, &nerr, &level, &c__0, &idum, &idum, &c__1, & @@ -1508,7 +1508,7 @@ L590: nerr = 30; nlevel = 0; nchar = 104; - rdum2 = fac; + rdum2 = (real) fac; xerrwv_("DBOLSM(). THE FACTOR (NCOLS/MROWS) WHERE PRE-TRIANG" "ULARIZING IS PERFORMED MUST BE NONNEGATIVE. NOW=(R1)." , &nchar, &nerr, &nlevel, &c__0, &idum, &idum, &c__1, @@ -1534,7 +1534,7 @@ L590: nerr = 38; nlevel = 0; nchar = 116; - rdum2 = wt; + rdum2 = (real) wt; xerrwv_("DBOLSM(). THE ROW SEPARATOR TO APPLY WEIGHTING (I1) MUS" "T LIE BETWEEN 0 AND MROWS (I2). WEIGHT (R1) MUST BE POSI" "TIVE.", &nchar, &nerr, &nlevel, &c__2, &mval, minput, & diff --git a/Cantera/src/equil/vcs_phaseStability.cpp b/Cantera/src/equil/vcs_phaseStability.cpp index 57219a4b5..74cfa011c 100644 --- a/Cantera/src/equil/vcs_phaseStability.cpp +++ b/Cantera/src/equil/vcs_phaseStability.cpp @@ -47,7 +47,7 @@ namespace VCSnonideal { int kspec = Vphase->spGlobalIndexVCS(k); int irxn = kspec - m_numComponents; if (irxn >= 0) { - int iPopPossible = true; + bool iPopPossible = true; for (int j = 0; j < m_numComponents; ++j) { if (m_elType[j] == VCS_ELEM_TYPE_ABSPOS) { double stoicC = m_stoichCoeffRxnMatrix[irxn][j]; @@ -62,7 +62,7 @@ namespace VCSnonideal { } } } - if (iPopPossible == true) { + if (iPopPossible) { return true; } } diff --git a/Cantera/src/thermo/ConstDensityThermo.cpp b/Cantera/src/thermo/ConstDensityThermo.cpp index 119b17c5c..8468e1af5 100644 --- a/Cantera/src/thermo/ConstDensityThermo.cpp +++ b/Cantera/src/thermo/ConstDensityThermo.cpp @@ -134,14 +134,13 @@ namespace Cantera { if (tmax > 0.0) m_tmax = tmax; m_p0 = refPressure(); - int leng = m_kk; - m_h0_RT.resize(leng); - m_g0_RT.resize(leng); - m_expg0_RT.resize(leng); - m_cp0_R.resize(leng); - m_s0_R.resize(leng); - m_pe.resize(leng, 0.0); - m_pp.resize(leng); + m_h0_RT.resize(m_kk); + m_g0_RT.resize(m_kk); + m_expg0_RT.resize(m_kk); + m_cp0_R.resize(m_kk); + m_s0_R.resize(m_kk); + m_pe.resize(m_kk, 0.0); + m_pp.resize(m_kk); } diff --git a/Cantera/src/thermo/ConstDensityThermo.h b/Cantera/src/thermo/ConstDensityThermo.h index add5367c5..0fdc0db2d 100644 --- a/Cantera/src/thermo/ConstDensityThermo.h +++ b/Cantera/src/thermo/ConstDensityThermo.h @@ -402,7 +402,7 @@ namespace Cantera { protected: //! number of elements - int m_mm; + size_t m_mm; //! Minimum temperature for valid species standard state thermo props diff --git a/Cantera/src/thermo/Constituents.cpp b/Cantera/src/thermo/Constituents.cpp index 0687b236b..b16dbe336 100644 --- a/Cantera/src/thermo/Constituents.cpp +++ b/Cantera/src/thermo/Constituents.cpp @@ -74,19 +74,17 @@ namespace Cantera { } } - int Constituents::nElements() const { return m_Elements->nElements(); } - + size_t Constituents::nElements() const { return m_Elements->nElements(); } /* * Return the Atomic weight of element m. * units = Kg / Kmol */ - doublereal Constituents::atomicWeight(int m) const { + doublereal Constituents::atomicWeight(size_t m) const { return m_Elements->atomicWeight(m); } - - doublereal Constituents::entropyElement298(int m) const { + doublereal Constituents::entropyElement298(size_t m) const { return m_Elements->entropyElement298(m); } @@ -99,7 +97,6 @@ namespace Cantera { return m_Elements->atomicWeights(); } - /* * Return the atomic number of element m. */ @@ -107,7 +104,6 @@ namespace Cantera { return m_Elements->atomicNumber(m); } - /* * Add an element to the set. * @param symbol symbol string @@ -183,7 +179,7 @@ namespace Cantera { * * -> Passthrough to the Element class. */ - int Constituents::elementIndex(std::string name) const { + size_t Constituents::elementIndex(std::string name) const { return (m_Elements->elementIndex(name)); } @@ -226,8 +222,8 @@ namespace Cantera { * * units = kg / kmol. */ - doublereal Constituents::molecularWeight(int k) const { - if (k < 0 || k >= nSpecies()) { + doublereal Constituents::molecularWeight(size_t k) const { + if (k >= nSpecies()) { throw SpeciesRangeError("Constituents::molecularWeight", k, nSpecies()); } @@ -280,17 +276,17 @@ namespace Cantera { m_speciesNames.push_back(name); m_speciesCharge.push_back(charge); m_speciesSize.push_back(size); - int m_mm = m_Elements->nElements(); + size_t m_mm = m_Elements->nElements(); // Create a changeable copy of the element composition. We now change the charge potentially vector_fp compNew(m_mm); - for (int m = 0; m < m_mm; m++) { + for (size_t m = 0; m < m_mm; m++) { compNew[m] = comp[m]; } double wt = 0.0; const vector_fp &aw = m_Elements->atomicWeights(); if (charge != 0.0) { - int eindex = m_Elements->elementIndex("E"); - if (eindex >= 0) { + size_t eindex = m_Elements->elementIndex("E"); + if (eindex != -1) { doublereal ecomp = compNew[eindex]; if (fabs (charge + ecomp) > 0.001) { if (ecomp != 0.0) { @@ -309,8 +305,8 @@ namespace Cantera { if (m_kk > 0) { vector_fp old(m_speciesComp); m_speciesComp.resize(m_kk*m_mm, 0.0); - for (int k = 0; k < m_kk; k++) { - int m_old = m_mm - 1; + for (size_t k = 0; k < m_kk; k++) { + size_t m_old = m_mm - 1; for (int m = 0; m < m_old; m++) { m_speciesComp[k * m_mm + m] = old[k * (m_old) + m]; } @@ -325,7 +321,7 @@ namespace Cantera { // "Element List doesn't include E, yet this species has charge:" + name); } } - for (int m = 0; m < m_mm; m++) { + for (size_t m = 0; m < m_mm; m++) { m_speciesComp.push_back(compNew[m]); wt += compNew[m] * aw[m]; } @@ -346,15 +342,15 @@ namespace Cantera { addUniqueSpecies(const std::string& name, const doublereal* comp, doublereal charge, doublereal size) { vector::const_iterator it = m_speciesNames.begin(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (*it == name) { /* * We have found a match. At this point we could do some * compatibility checks. However, let's just return for the * moment without specifying any error. */ - int m_mm = m_Elements->nElements(); - for (int i = 0; i < m_mm; i++) { + size_t m_mm = m_Elements->nElements(); + for (size_t i = 0; i < m_mm; i++) { if (comp[i] != m_speciesComp[m_kk * m_mm + i]) { throw CanteraError("addUniqueSpecies", "Duplicate species have different " @@ -400,9 +396,9 @@ namespace Cantera { * * If name isn't in the list, then a -1 is returned. */ - int Constituents::speciesIndex(std::string name) const { + size_t Constituents::speciesIndex(std::string name) const { vector::const_iterator it = m_speciesNames.begin(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (*it == name) { /* * We have found a match. @@ -449,13 +445,13 @@ namespace Cantera { /* * Returns the number of atoms of element \c m in species \c k. */ - doublereal Constituents::nAtoms(int k, int m) const + doublereal Constituents::nAtoms(size_t k, size_t m) const { - const int m_mm = m_Elements->nElements(); - if (m < 0 || m >=m_mm) - throw ElementRangeError("Constituents::nAtoms",m,nElements()); - if (k < 0 || k >= nSpecies()) - throw SpeciesRangeError("Constituents::nAtoms",k,nSpecies()); + const size_t m_mm = m_Elements->nElements(); + if (m >= m_mm) + throw ElementRangeError("Constituents::nAtoms", m, nElements()); + if (k >= nSpecies()) + throw SpeciesRangeError("Constituents::nAtoms", k, nSpecies()); return m_speciesComp[m_mm * k + m]; } @@ -466,10 +462,10 @@ namespace Cantera { * Get a vector containing the atomic composition * of species k */ - void Constituents::getAtoms(int k, double *atomArray) const + void Constituents::getAtoms(size_t k, double *atomArray) const { - const int m_mm = m_Elements->nElements(); - for (int m = 0; m < m_mm; m++) { + const size_t m_mm = m_Elements->nElements(); + for (size_t m = 0; m < m_mm; m++) { atomArray[m] = (double) m_speciesComp[m_mm * k + m]; } } diff --git a/Cantera/src/thermo/Constituents.h b/Cantera/src/thermo/Constituents.h index 9abca9f24..6efbbd8e6 100644 --- a/Cantera/src/thermo/Constituents.h +++ b/Cantera/src/thermo/Constituents.h @@ -39,9 +39,9 @@ namespace Cantera { * minimum permissible species index value is assumed to be 0 * */ - SpeciesRangeError(std::string func, int k, int kmax) : - CanteraError(func, "Species index " + int2str(k) + - " outside valid range of 0 to " + int2str(kmax-1)) {} + SpeciesRangeError(std::string func, size_t k, size_t kmax) : + CanteraError(func, "Species index " + int2str(int(k)) + + " outside valid range of 0 to " + int2str(int(kmax)-1)) {} }; /******************************************************************/ @@ -114,20 +114,20 @@ namespace Cantera { /// If 'name' is not /// the name of an element in the set, then the value -1 is /// returned. - int elementIndex(std::string name) const; + size_t elementIndex(std::string name) const; /// Atomic weight of element m. /*! * @param m Element index */ - doublereal atomicWeight(int m) const; + doublereal atomicWeight(size_t m) const; /// Entropy of the element in its standard state at 298 K and 1 bar /*! * @param m Element index */ - doublereal entropyElement298(int m) const; + doublereal entropyElement298(size_t m) const; /// Atomic number of element m. /*! @@ -142,7 +142,7 @@ namespace Cantera { const vector_fp& atomicWeights() const; /// Number of elements. - int nElements() const; + size_t nElements() const; // @} @@ -221,7 +221,7 @@ namespace Cantera { * @return * Returns the molecular weight of species \c k. */ - doublereal molecularWeight(int k) const; + doublereal molecularWeight(size_t k) const; //! Return the Molar mass of species \c k /*! @@ -231,7 +231,7 @@ namespace Cantera { * @return * Return the molar mass of species k kg/kmol. */ - doublereal molarMass(int k) const { + doublereal molarMass(size_t k) const { return molecularWeight(k); } @@ -282,7 +282,7 @@ namespace Cantera { * @return Returns the index of the species. If the name is not found * the value of -1 is returned. */ - int speciesIndex(std::string name) const; + size_t speciesIndex(std::string name) const; //! Name of the species with index k /*! @@ -299,7 +299,7 @@ namespace Cantera { * @return * Returns the size of the species. Units are meters. */ - doublereal size(int k) const { return m_speciesSize[k]; } + doublereal size(size_t k) const { return m_speciesSize[k]; } /** * Prohibit addition of more species, and prepare for @@ -323,7 +323,7 @@ namespace Cantera { * @param k species index * @param m element index */ - doublereal nAtoms(int k, int m) const; + doublereal nAtoms(size_t k, size_t m) const; //! Get a vector containing the atomic composition of species k /*! @@ -331,7 +331,7 @@ namespace Cantera { * @param atomArray vector containing the atomic number in the species. * Length: m_mm */ - void getAtoms(int k, double *atomArray) const; + void getAtoms(size_t k, double *atomArray) const; protected: diff --git a/Cantera/src/thermo/DebyeHuckel.cpp b/Cantera/src/thermo/DebyeHuckel.cpp index 3635dccd1..463f54000 100644 --- a/Cantera/src/thermo/DebyeHuckel.cpp +++ b/Cantera/src/thermo/DebyeHuckel.cpp @@ -543,7 +543,7 @@ namespace Cantera { void DebyeHuckel::getUnitsStandardConc(double *uA, int k, int sizeUA) const { for (int i = 0; i < sizeUA; i++) { if (i == 0) uA[0] = 1.0; - if (i == 1) uA[1] = -nDim(); + if (i == 1) uA[1] = -int(nDim()); if (i == 2) uA[2] = 0.0; if (i == 3) uA[3] = 0.0; if (i == 4) uA[4] = 0.0; @@ -1432,15 +1432,9 @@ namespace Cantera { */ map::const_iterator _b = m.begin(); for (; _b != m.end(); ++_b) { - int kk = speciesIndex(_b->first); - if (kk < 0) { - //throw CanteraError( - // "DebyeHuckel::initThermoXML error", - // "no species match was found" - // ); - } else { - m_Aionic[kk] = fpValue(_b->second) * Afactor; - } + size_t kk = speciesIndex(_b->first); + m_Aionic[kk] = fpValue(_b->second) * Afactor; + } } } @@ -1482,9 +1476,9 @@ namespace Cantera { std::string kname, jname; size_t jj = xspecies.size(); for (k = 0; k < m_kk; k++) { - int jmap = -1; + size_t jmap = -1; kname = speciesName(k); - for (int j = 0; j < jj; j++) { + for (size_t j = 0; j < jj; j++) { const XML_Node& sp = *xspecies[j]; jname = sp["name"]; if (jname == kname) { @@ -1492,7 +1486,7 @@ namespace Cantera { break; } } - if (jmap > -1) { + if (jmap != -1) { const XML_Node& sp = *xspecies[jmap]; if (sp.hasChild("stoichIsMods")) { double val = getFloat(sp, "stoichIsMods"); @@ -1512,16 +1506,9 @@ namespace Cantera { getMap(sIsNode, msIs); map::const_iterator _b = msIs.begin(); for (; _b != msIs.end(); ++_b) { - int kk = speciesIndex(_b->first); - if (kk < 0) { - //throw CanteraError( - // "DebyeHuckel::initThermoXML error", - // "no species match was found" - // ); - } else { - double val = fpValue(_b->second); - m_speciesCharge_Stoich[kk] = val; - } + size_t kk = speciesIndex(_b->first); + double val = fpValue(_b->second); + m_speciesCharge_Stoich[kk] = val; } } } @@ -1580,13 +1567,10 @@ namespace Cantera { map::const_iterator _b = msEST.begin(); for (; _b != msEST.end(); ++_b) { int kk = speciesIndex(_b->first); - if (kk < 0) { - } else { - std::string est = _b->second; - if ((m_electrolyteSpeciesType[kk] = interp_est(est)) == -1) { - throw CanteraError("DebyeHuckel:initThermoXML", - "Bad electrolyte type: " + est); - } + std::string est = _b->second; + if ((m_electrolyteSpeciesType[kk] = interp_est(est)) == -1) { + throw CanteraError("DebyeHuckel:initThermoXML", + "Bad electrolyte type: " + est); } } } @@ -1822,22 +1806,21 @@ namespace Cantera { * Obtain the limits of the temperature from the species * thermo handler's limits. */ - int leng = m_kk; m_electrolyteSpeciesType.resize(m_kk, cEST_polarNeutral); - m_speciesSize.resize(leng); - m_Aionic.resize(leng, 0.0); - m_lnActCoeffMolal.resize(leng, 0.0); - m_dlnActCoeffMolaldT.resize(leng, 0.0); - m_d2lnActCoeffMolaldT2.resize(leng, 0.0); - m_dlnActCoeffMolaldP.resize(leng, 0.0); - m_B_Dot.resize(leng, 0.0); - m_expg0_RT.resize(leng, 0.0); - m_pe.resize(leng, 0.0); - m_pp.resize(leng, 0.0); - m_tmpV.resize(leng, 0.0); + m_speciesSize.resize(m_kk); + m_Aionic.resize(m_kk, 0.0); + m_lnActCoeffMolal.resize(m_kk, 0.0); + m_dlnActCoeffMolaldT.resize(m_kk, 0.0); + m_d2lnActCoeffMolaldT2.resize(m_kk, 0.0); + m_dlnActCoeffMolaldP.resize(m_kk, 0.0); + m_B_Dot.resize(m_kk, 0.0); + m_expg0_RT.resize(m_kk, 0.0); + m_pe.resize(m_kk, 0.0); + m_pp.resize(m_kk, 0.0); + m_tmpV.resize(m_kk, 0.0); if (m_formDH == DHFORM_BETAIJ || m_formDH == DHFORM_PITZER_BETAIJ) { - m_Beta_ij.resize(leng, leng, 0.0); + m_Beta_ij.resize(m_kk, m_kk, 0.0); } } diff --git a/Cantera/src/thermo/Elements.cpp b/Cantera/src/thermo/Elements.cpp index 90a75ad6d..ac3795198 100644 --- a/Cantera/src/thermo/Elements.cpp +++ b/Cantera/src/thermo/Elements.cpp @@ -284,7 +284,7 @@ namespace Cantera { * */ #ifdef USE_DGG_CODE - int Elements::elementIndex(std::string name) const{ + size_t Elements::elementIndex(std::string name) const{ map::const_iterator it; it = m_definedElements.find(name); if (it != m_definedElements.end()) { @@ -293,8 +293,8 @@ namespace Cantera { return -1; } #else - int Elements::elementIndex(std::string name) const { - for (int i = 0; i < m_mm; i++) { + size_t Elements::elementIndex(std::string name) const { + for (size_t i = 0; i < m_mm; i++) { if (m_elementNames[i] == name) return i; } return -1; @@ -307,14 +307,14 @@ namespace Cantera { * index. If m < 0 or m >= nElements() an exception is thrown. */ string Elements::elementName(size_t m) const { - if (m < 0 || m >= nElements()) { + if (m >= nElements()) { throw ElementRangeError("Elements::elementName", m, nElements()); } return m_elementNames[m]; } - doublereal Elements::entropyElement298(int m) const { + doublereal Elements::entropyElement298(size_t m) const { AssertThrowMsg(m_entropy298[m] != ENTROPY298_UNKNOWN, "Elements::entropy298", "Entropy at 298 K of element is unknown"); diff --git a/Cantera/src/thermo/Elements.h b/Cantera/src/thermo/Elements.h index 9b744fb6e..13cb5ab57 100644 --- a/Cantera/src/thermo/Elements.h +++ b/Cantera/src/thermo/Elements.h @@ -97,7 +97,7 @@ namespace Cantera { /*! * @param m element index */ - doublereal atomicWeight(int m) const { return m_atomicWeights[m]; } + doublereal atomicWeight(size_t m) const { return m_atomicWeights[m]; } /// Atomic number of element m. /*! @@ -112,7 +112,7 @@ namespace Cantera { * * @param m Element index */ - doublereal entropyElement298(int m) const; + doublereal entropyElement298(size_t m) const; /// vector of element atomic weights const vector_fp& atomicWeights() const { return m_atomicWeights; } @@ -123,7 +123,7 @@ namespace Cantera { * @return * \c int: The number of elements in the object. */ - int nElements() const { return m_mm; } + size_t nElements() const { return m_mm; } //! Function that returns the index of an element. /*! @@ -135,7 +135,7 @@ namespace Cantera { * * @param name String containing the index. */ - int elementIndex(std::string name) const; + size_t elementIndex(std::string name) const; //! Name of the element with index \c m. /*! diff --git a/Cantera/src/thermo/GibbsExcessVPSSTP.cpp b/Cantera/src/thermo/GibbsExcessVPSSTP.cpp index 9c29153ca..62a60c904 100644 --- a/Cantera/src/thermo/GibbsExcessVPSSTP.cpp +++ b/Cantera/src/thermo/GibbsExcessVPSSTP.cpp @@ -283,7 +283,7 @@ namespace Cantera { void GibbsExcessVPSSTP::getUnitsStandardConc(double *uA, int k, int sizeUA) const { for (int i = 0; i < sizeUA; i++) { if (i == 0) uA[0] = 1.0; - if (i == 1) uA[1] = -nDim(); + if (i == 1) uA[1] = -int(nDim()); if (i == 2) uA[2] = 0.0; if (i == 3) uA[3] = 0.0; if (i == 4) uA[4] = 0.0; diff --git a/Cantera/src/thermo/HMWSoln.cpp b/Cantera/src/thermo/HMWSoln.cpp index aa82f7d75..dd9d41407 100644 --- a/Cantera/src/thermo/HMWSoln.cpp +++ b/Cantera/src/thermo/HMWSoln.cpp @@ -79,7 +79,7 @@ namespace Cantera { CROP_ln_gamma_k_max(15.0), m_debugCalc(0) { - for (int i = 0; i < 17; i++) { + for (size_t i = 0; i < 17; i++) { elambda[i] = 0.0; elambda1[i] = 0.0; } @@ -485,10 +485,10 @@ namespace Cantera { constructPhaseFile("HMW_NaCl.xml", ""); - int i = speciesIndex("Cl-"); - int j = speciesIndex("H+"); - int n = i * m_kk + j; - int ct = m_CounterIJ[n]; + size_t i = speciesIndex("Cl-"); + size_t j = speciesIndex("H+"); + size_t n = i * m_kk + j; + size_t ct = m_CounterIJ[n]; m_Beta0MX_ij[ct] = 0.1775; m_Beta1MX_ij[ct] = 0.2945; m_CphiMX_ij[ct] = 0.0008; @@ -528,7 +528,7 @@ namespace Cantera { i = speciesIndex("Cl-"); j = speciesIndex("H+"); - int k = speciesIndex("Na+"); + size_t k = speciesIndex("Na+"); double param = -0.004; n = i * m_kk *m_kk + j * m_kk + k ; m_Psi_ijk[n] = param; @@ -990,7 +990,7 @@ namespace Cantera { void HMWSoln::getUnitsStandardConc(double *uA, int k, int sizeUA) const { for (int i = 0; i < sizeUA; i++) { if (i == 0) uA[0] = 1.0; - if (i == 1) uA[1] = -nDim(); + if (i == 1) uA[1] = -int(nDim()); if (i == 2) uA[2] = 0.0; if (i == 3) uA[3] = 0.0; if (i == 4) uA[4] = 0.0; @@ -1656,19 +1656,18 @@ namespace Cantera { * Resize lengths equal to the number of species in * the phase. */ - int leng = m_kk; m_electrolyteSpeciesType.resize(m_kk, cEST_polarNeutral); - m_speciesSize.resize(leng); - m_speciesCharge_Stoich.resize(leng, 0.0); - m_Aionic.resize(leng, 0.0); + m_speciesSize.resize(m_kk); + m_speciesCharge_Stoich.resize(m_kk, 0.0); + m_Aionic.resize(m_kk, 0.0); - m_expg0_RT.resize(leng, 0.0); - m_pe.resize(leng, 0.0); - m_pp.resize(leng, 0.0); - m_tmpV.resize(leng, 0.0); - m_molalitiesCropped.resize(leng, 0.0); + m_expg0_RT.resize(m_kk, 0.0); + m_pe.resize(m_kk, 0.0); + m_pp.resize(m_kk, 0.0); + m_tmpV.resize(m_kk, 0.0); + m_molalitiesCropped.resize(m_kk, 0.0); - int maxCounterIJlen = 1 + (leng-1) * (leng-2) / 2; + size_t maxCounterIJlen = 1 + (m_kk-1) * (m_kk-2) / 2; /* * Figure out the size of the temperature coefficient @@ -1713,34 +1712,34 @@ namespace Cantera { m_Theta_ij_P.resize(maxCounterIJlen, 0.0); m_Theta_ij_coeff.resize(TCoeffLength, maxCounterIJlen, 0.0); - int n = m_kk*m_kk*m_kk; - m_Psi_ijk.resize(m_kk*m_kk*m_kk, 0.0); - m_Psi_ijk_L.resize(m_kk*m_kk*m_kk, 0.0); - m_Psi_ijk_LL.resize(m_kk*m_kk*m_kk, 0.0); - m_Psi_ijk_P.resize(m_kk*m_kk*m_kk, 0.0); + size_t n = m_kk*m_kk*m_kk; + m_Psi_ijk.resize(n, 0.0); + m_Psi_ijk_L.resize(n, 0.0); + m_Psi_ijk_LL.resize(n, 0.0); + m_Psi_ijk_P.resize(n, 0.0); m_Psi_ijk_coeff.resize(TCoeffLength, n, 0.0); - m_Lambda_nj.resize(leng, leng, 0.0); - m_Lambda_nj_L.resize(leng, leng, 0.0); - m_Lambda_nj_LL.resize(leng, leng, 0.0); - m_Lambda_nj_P.resize(leng, leng, 0.0); - m_Lambda_nj_coeff.resize(TCoeffLength, leng * leng, 0.0); + m_Lambda_nj.resize(m_kk, m_kk, 0.0); + m_Lambda_nj_L.resize(m_kk, m_kk, 0.0); + m_Lambda_nj_LL.resize(m_kk, m_kk, 0.0); + m_Lambda_nj_P.resize(m_kk, m_kk, 0.0); + m_Lambda_nj_coeff.resize(TCoeffLength, m_kk * m_kk, 0.0); - m_Mu_nnn.resize(leng, 0.0); - m_Mu_nnn_L.resize(leng, 0.0); - m_Mu_nnn_LL.resize(leng, 0.0); - m_Mu_nnn_P.resize(leng, 0.0); - m_Mu_nnn_coeff.resize(TCoeffLength, leng, 0.0); + m_Mu_nnn.resize(m_kk, 0.0); + m_Mu_nnn_L.resize(m_kk, 0.0); + m_Mu_nnn_LL.resize(m_kk, 0.0); + m_Mu_nnn_P.resize(m_kk, 0.0); + m_Mu_nnn_coeff.resize(TCoeffLength, m_kk, 0.0); - m_lnActCoeffMolal_Scaled.resize(leng, 0.0); - m_dlnActCoeffMolaldT_Scaled.resize(leng, 0.0); - m_d2lnActCoeffMolaldT2_Scaled.resize(leng, 0.0); - m_dlnActCoeffMolaldP_Scaled.resize(leng, 0.0); + m_lnActCoeffMolal_Scaled.resize(m_kk, 0.0); + m_dlnActCoeffMolaldT_Scaled.resize(m_kk, 0.0); + m_d2lnActCoeffMolaldT2_Scaled.resize(m_kk, 0.0); + m_dlnActCoeffMolaldP_Scaled.resize(m_kk, 0.0); - m_lnActCoeffMolal_Unscaled.resize(leng, 0.0); - m_dlnActCoeffMolaldT_Unscaled.resize(leng, 0.0); - m_d2lnActCoeffMolaldT2_Unscaled.resize(leng, 0.0); - m_dlnActCoeffMolaldP_Unscaled.resize(leng, 0.0); + m_lnActCoeffMolal_Unscaled.resize(m_kk, 0.0); + m_dlnActCoeffMolaldT_Unscaled.resize(m_kk, 0.0); + m_d2lnActCoeffMolaldT2_Unscaled.resize(m_kk, 0.0); + m_dlnActCoeffMolaldP_Unscaled.resize(m_kk, 0.0); m_CounterIJ.resize(m_kk*m_kk, 0); @@ -1774,7 +1773,7 @@ namespace Cantera { m_CMX_IJ_LL.resize(maxCounterIJlen, 0.0); m_CMX_IJ_P.resize(maxCounterIJlen, 0.0); - m_gamma_tmp.resize(leng, 0.0); + m_gamma_tmp.resize(m_kk, 0.0); IMS_lnActCoeffMolal_.resize(m_kk, 0.0); CROP_speciesCropped_.resize(m_kk, 0); @@ -2051,7 +2050,7 @@ namespace Cantera { * m_Counter[n] = counter */ void HMWSoln::counterIJ_setup(void) const { - int n, nc, i, j; + size_t n, nc, i, j; m_CounterIJ.resize(m_kk * m_kk); int counter = 0; for (i = 0; i < m_kk; i++) { @@ -2088,7 +2087,7 @@ namespace Cantera { */ void HMWSoln::s_updatePitzer_CoeffWRTemp(int doDerivs) const { - int i, j, n, counterIJ; + size_t i, j, n, counterIJ; const double *beta0MX_coeff; const double *beta1MX_coeff; const double *beta2MX_coeff; @@ -2447,7 +2446,7 @@ namespace Cantera { double sum_m_phi_minus_1, osmotic_coef, lnwateract; int z1, z2; - int n, i, j, k, m, counterIJ, counterIJ2; + size_t n, i, j, k, m, counterIJ, counterIJ2; #ifdef DEBUG_MODE if (m_debugCalc) { @@ -2942,10 +2941,10 @@ namespace Cantera { /* * Zeta interaction term */ - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { if (charge[k] < 0.0) { - int izeta = j; - int jzeta = i; + size_t izeta = j; + size_t jzeta = i; n = izeta * m_kk * m_kk + jzeta * m_kk + k; double zeta = psi_ijk[n]; if (zeta != 0.0) { @@ -3114,11 +3113,11 @@ namespace Cantera { /* * Zeta interaction term */ - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { if (charge[k] > 0.0) { - int izeta = j; - int jzeta = k; - int kzeta = i; + size_t izeta = j; + size_t jzeta = k; + size_t kzeta = i; n = izeta * m_kk * m_kk + jzeta * m_kk + kzeta; double zeta = psi_ijk[n]; if (zeta != 0.0) { @@ -3333,10 +3332,10 @@ namespace Cantera { } } if (charge[k] < 0.0) { - int izeta = j; + size_t izeta = j; for (m = 1; m < m_kk; m++) { if (charge[m] > 0.0) { - int jzeta = m; + size_t jzeta = m; n = k + jzeta * m_kk + izeta * m_kk * m_kk; double zeta = psi_ijk[n]; if (zeta != 0.0) { @@ -3524,7 +3523,7 @@ namespace Cantera { double sum_m_phi_minus_1, d_osmotic_coef_dT, d_lnwateract_dT; int z1, z2; - int n, i, j, k, m, counterIJ, counterIJ2; + size_t n, i, j, k, m, counterIJ, counterIJ2; #ifdef DEBUG_MODE if (m_debugCalc) { @@ -3938,10 +3937,10 @@ namespace Cantera { /* * Zeta interaction term */ - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { if (charge[k] < 0.0) { - int izeta = j; - int jzeta = i; + size_t izeta = j; + size_t jzeta = i; n = izeta * m_kk * m_kk + jzeta * m_kk + k; double zeta_L = psi_ijk_L[n]; if (zeta_L != 0.0) { @@ -4034,11 +4033,11 @@ namespace Cantera { */ if (charge[j] == 0.0) { sum5 = sum5 + molality[j]*2.0*m_Lambda_nj_L(j,i); - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { if (charge[k] > 0.0) { - int izeta = j; - int jzeta = k; - int kzeta = i; + size_t izeta = j; + size_t jzeta = k; + size_t kzeta = i; n = izeta * m_kk * m_kk + jzeta * m_kk + kzeta; double zeta_L = psi_ijk_L[n]; if (zeta_L != 0.0) { @@ -4215,10 +4214,10 @@ namespace Cantera { } } if (charge[k] < 0.0) { - int izeta = j; + size_t izeta = j; for (m = 1; m < m_kk; m++) { if (charge[m] > 0.0) { - int jzeta = m; + size_t jzeta = m; n = k + jzeta * m_kk + izeta * m_kk * m_kk; double zeta_L = psi_ijk_L[n]; if (zeta_L != 0.0) { @@ -4397,7 +4396,7 @@ namespace Cantera { double sum_m_phi_minus_1, d2_osmotic_coef_dT2, d2_lnwateract_dT2; int z1, z2; - int n, i, j, k, m, counterIJ, counterIJ2; + size_t n, i, j, k, m, counterIJ, counterIJ2; #ifdef DEBUG_MODE if (m_debugCalc) { @@ -4818,10 +4817,10 @@ namespace Cantera { /* * Zeta interaction term */ - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { if (charge[k] < 0.0) { - int izeta = j; - int jzeta = i; + size_t izeta = j; + size_t jzeta = i; n = izeta * m_kk * m_kk + jzeta * m_kk + k; double zeta_LL = psi_ijk_LL[n]; if (zeta_LL != 0.0) { @@ -4918,11 +4917,11 @@ namespace Cantera { /* * Zeta interaction term */ - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { if (charge[k] > 0.0) { - int izeta = j; - int jzeta = k; - int kzeta = i; + size_t izeta = j; + size_t jzeta = k; + size_t kzeta = i; n = izeta * m_kk * m_kk + jzeta * m_kk + kzeta; double zeta_LL = psi_ijk_LL[n]; if (zeta_LL != 0.0) { @@ -5098,10 +5097,10 @@ namespace Cantera { } } if (charge[k] < 0.0) { - int izeta = j; + size_t izeta = j; for (m = 1; m < m_kk; m++) { if (charge[m] > 0.0) { - int jzeta = m; + size_t jzeta = m; n = k + jzeta * m_kk + izeta * m_kk * m_kk; double zeta_LL = psi_ijk_LL[n]; if (zeta_LL != 0.0) { @@ -5181,7 +5180,7 @@ namespace Cantera { s_updatePitzer_dlnMolalityActCoeff_dP(); - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { if (CROP_speciesCropped_[k] == 2) { m_dlnActCoeffMolaldP_Unscaled[k] = 0.0; } @@ -5278,7 +5277,7 @@ namespace Cantera { double sum_m_phi_minus_1, d_osmotic_coef_dP, d_lnwateract_dP; int z1, z2; - int n, i, j, k, m, counterIJ, counterIJ2; + size_t n, i, j, k, m, counterIJ, counterIJ2; double currTemp = temperature(); double currPres = pressure(); @@ -5696,10 +5695,10 @@ namespace Cantera { /* * Zeta interaction term */ - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { if (charge[k] < 0.0) { - int izeta = j; - int jzeta = i; + size_t izeta = j; + size_t jzeta = i; n = izeta * m_kk * m_kk + jzeta * m_kk + k; double zeta_P = psi_ijk_P[n]; if (zeta_P != 0.0) { @@ -5798,11 +5797,11 @@ namespace Cantera { /* * Zeta interaction term */ - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { if (charge[k] > 0.0) { - int izeta = j; - int jzeta = k; - int kzeta = i; + size_t izeta = j; + size_t jzeta = k; + size_t kzeta = i; n = izeta * m_kk * m_kk + jzeta * m_kk + kzeta; double zeta_P = psi_ijk_P[n]; if (zeta_P != 0.0) { @@ -5978,10 +5977,10 @@ namespace Cantera { } } if (charge[k] < 0.0) { - int izeta = j; + size_t izeta = j; for (m = 1; m < m_kk; m++) { if (charge[m] > 0.0) { - int jzeta = m; + size_t jzeta = m; n = k + jzeta * m_kk + izeta * m_kk * m_kk; double zeta_P = psi_ijk_P[n]; if (zeta_P != 0.0) { @@ -6291,7 +6290,7 @@ namespace Cantera { * current mechanism */ void HMWSoln::printCoeffs() const { - int i, j, k; + size_t i, j, k; std::string sni, snj; calcMolalities(); const double *charge = DATA_PTR(m_speciesCharge); @@ -6317,8 +6316,8 @@ namespace Cantera { sni = speciesName(i); for (j = i+1; j < m_kk; j++) { snj = speciesName(j); - int n = i * m_kk + j; - int ct = m_CounterIJ[n]; + size_t n = i * m_kk + j; + size_t ct = m_CounterIJ[n]; printf(" %-16s %-16s %9.5f %9.5f %9.5f %9.5f %9.5f %9.5f \n", sni.c_str(), snj.c_str(), m_Beta0MX_ij[ct], m_Beta1MX_ij[ct], @@ -6337,7 +6336,7 @@ namespace Cantera { snj = speciesName(j); for (k = 1; k < m_kk; k++) { std::string snk = speciesName(k); - int n = k + j * m_kk + i * m_kk * m_kk; + size_t n = k + j * m_kk + i * m_kk * m_kk; if (m_Psi_ijk[n] != 0.0) { printf(" %-16s %-16s %-16s %9.5f \n", sni.c_str(), snj.c_str(), @@ -6363,7 +6362,7 @@ namespace Cantera { doublereal lnGammaClMs2 = s_NBS_CLM_lnMolalityActCoeff(); doublereal lnGammaCLMs1 = m_lnActCoeffMolal_Unscaled[m_indexCLM]; doublereal afac = -1.0 *(lnGammaClMs2 - lnGammaCLMs1); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { acMolality[k] *= exp(m_speciesCharge[k] * afac); } } @@ -6384,7 +6383,7 @@ namespace Cantera { doublereal lnGammaClMs2 = s_NBS_CLM_lnMolalityActCoeff(); doublereal lnGammaCLMs1 = m_lnActCoeffMolal_Unscaled[m_indexCLM]; doublereal afac = -1.0 *(lnGammaClMs2 - lnGammaCLMs1); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_lnActCoeffMolal_Scaled[k] = m_lnActCoeffMolal_Unscaled[k] + m_speciesCharge[k] * afac; } } @@ -6404,7 +6403,7 @@ namespace Cantera { doublereal dlnGammaClM_dT_s2 = s_NBS_CLM_dlnMolalityActCoeff_dT(); doublereal dlnGammaCLM_dT_s1 = m_dlnActCoeffMolaldT_Unscaled[m_indexCLM]; doublereal afac = -1.0 *(dlnGammaClM_dT_s2 - dlnGammaCLM_dT_s1); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_dlnActCoeffMolaldT_Scaled[k] = m_dlnActCoeffMolaldT_Unscaled[k] + m_speciesCharge[k] * afac; } } @@ -6443,7 +6442,7 @@ namespace Cantera { doublereal dlnGammaClM_dP_s2 = s_NBS_CLM_dlnMolalityActCoeff_dP(); doublereal dlnGammaCLM_dP_s1 = m_dlnActCoeffMolaldP_Unscaled[m_indexCLM]; doublereal afac = -1.0 *(dlnGammaClM_dP_s2 - dlnGammaCLM_dP_s1); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_dlnActCoeffMolaldP_Scaled[k] = m_dlnActCoeffMolaldP_Unscaled[k] + m_speciesCharge[k] * afac; } } diff --git a/Cantera/src/thermo/HMWSoln_input.cpp b/Cantera/src/thermo/HMWSoln_input.cpp index edcde77b0..cb216fba4 100644 --- a/Cantera/src/thermo/HMWSoln_input.cpp +++ b/Cantera/src/thermo/HMWSoln_input.cpp @@ -82,16 +82,16 @@ namespace Cantera { * Find the index of the species in the current phase. It's not * an error to not find the species */ - int iSpecies = speciesIndex(iName); - if (iSpecies < 0) { + size_t iSpecies = speciesIndex(iName); + if (iSpecies == -1) { return; } string ispName = speciesName(iSpecies); if (charge[iSpecies] <= 0) { throw CanteraError("HMWSoln::readXMLBinarySalt", "cation charge problem"); } - int jSpecies = speciesIndex(jName); - if (jSpecies < 0) { + size_t jSpecies = speciesIndex(jName); + if (jSpecies == -1) { return; } string jspName = speciesName(jSpecies); @@ -99,7 +99,7 @@ namespace Cantera { throw CanteraError("HMWSoln::readXMLBinarySalt", "anion charge problem"); } - int n = iSpecies * m_kk + jSpecies; + size_t n = iSpecies * m_kk + jSpecies; int counter = m_CounterIJ[n]; int num = BinSalt.nChildren(); for (int iChild = 0; iChild < num; iChild++) { @@ -288,22 +288,22 @@ namespace Cantera { * Find the index of the species in the current phase. It's not * an error to not find the species */ - int iSpecies = speciesIndex(ispName); - if (iSpecies < 0) { + size_t iSpecies = speciesIndex(ispName); + if (iSpecies == -1) { return; } if (charge[iSpecies] >= 0) { throw CanteraError("HMWSoln::readXMLThetaAnion", "anion1 charge problem"); } - int jSpecies = speciesIndex(jspName); - if (jSpecies < 0) { + size_t jSpecies = speciesIndex(jspName); + if (jSpecies == -1) { return; } if (charge[jSpecies] >= 0) { throw CanteraError("HMWSoln::readXMLThetaAnion", "anion2 charge problem"); } - int n = iSpecies * m_kk + jSpecies; + size_t n = iSpecies * m_kk + jSpecies; int counter = m_CounterIJ[n]; int num = BinSalt.nChildren(); for (int i = 0; i < num; i++) { @@ -375,22 +375,22 @@ namespace Cantera { * Find the index of the species in the current phase. It's not * an error to not find the species */ - int iSpecies = speciesIndex(ispName); - if (iSpecies < 0) { + size_t iSpecies = speciesIndex(ispName); + if (iSpecies == -1) { return; } if (charge[iSpecies] <= 0) { throw CanteraError("HMWSoln::readXMLThetaCation", "cation1 charge problem"); } - int jSpecies = speciesIndex(jspName); - if (jSpecies < 0) { + size_t jSpecies = speciesIndex(jspName); + if (jSpecies == -1) { return; } if (charge[jSpecies] <= 0) { throw CanteraError("HMWSoln::readXMLThetaCation", "cation2 charge problem"); } - int n = iSpecies * m_kk + jSpecies; + size_t n = iSpecies * m_kk + jSpecies; int counter = m_CounterIJ[n]; int num = BinSalt.nChildren(); for (int i = 0; i < num; i++) { @@ -466,24 +466,24 @@ namespace Cantera { * Find the index of the species in the current phase. It's not * an error to not find the species */ - int kSpecies = speciesIndex(kName); - if (kSpecies < 0) { + size_t kSpecies = speciesIndex(kName); + if (kSpecies == -1) { return; } if (charge[kSpecies] <= 0) { throw CanteraError("HMWSoln::readXMLPsiCommonCation", "cation charge problem"); } - int iSpecies = speciesIndex(iName); - if (iSpecies < 0) { + size_t iSpecies = speciesIndex(iName); + if (iSpecies == -1) { return; } if (charge[iSpecies] >= 0) { throw CanteraError("HMWSoln::readXMLPsiCommonCation", "anion1 charge problem"); } - int jSpecies = speciesIndex(jName); - if (jSpecies < 0) { + size_t jSpecies = speciesIndex(jName); + if (jSpecies == -1) { return; } if (charge[jSpecies] >= 0) { @@ -491,7 +491,7 @@ namespace Cantera { "anion2 charge problem"); } - int n = iSpecies * m_kk + jSpecies; + size_t n = iSpecies * m_kk + jSpecies; int counter = m_CounterIJ[n]; int num = BinSalt.nChildren(); for (int i = 0; i < num; i++) { @@ -612,23 +612,23 @@ namespace Cantera { * Find the index of the species in the current phase. It's not * an error to not find the species */ - int kSpecies = speciesIndex(kName); - if (kSpecies < 0) { + size_t kSpecies = speciesIndex(kName); + if (kSpecies == -1) { return; } if (charge[kSpecies] >= 0) { throw CanteraError("HMWSoln::readXMLPsiCommonAnion", "anion charge problem"); } - int iSpecies = speciesIndex(iName); - if (iSpecies < 0) { + size_t iSpecies = speciesIndex(iName); + if (iSpecies == -1) { return; } if (charge[iSpecies] <= 0) { throw CanteraError("HMWSoln::readXMLPsiCommonAnion", "cation1 charge problem"); } - int jSpecies = speciesIndex(jName); - if (jSpecies < 0) { + size_t jSpecies = speciesIndex(jName); + if (jSpecies == -1) { return; } if (charge[jSpecies] <= 0) { @@ -636,7 +636,7 @@ namespace Cantera { "cation2 charge problem"); } - int n = iSpecies * m_kk + jSpecies; + size_t n = iSpecies * m_kk + jSpecies; int counter = m_CounterIJ[n]; int num = BinSalt.nChildren(); for (int i = 0; i < num; i++) { @@ -758,16 +758,16 @@ namespace Cantera { * Find the index of the species in the current phase. It's not * an error to not find the species */ - int iSpecies = speciesIndex(iName); - if (iSpecies < 0) { + size_t iSpecies = speciesIndex(iName); + if (iSpecies == -1) { return; } if (charge[iSpecies] != 0) { throw CanteraError("HMWSoln::readXMLLambdaNeutral", "neutral charge problem"); } - int jSpecies = speciesIndex(jName); - if (jSpecies < 0) { + size_t jSpecies = speciesIndex(jName); + if (jSpecies == -1) { return; } @@ -777,7 +777,7 @@ namespace Cantera { stemp = xmlChild.name(); string nodeName = lowercase(stemp); if (nodeName == "lambda") { - int nCount = iSpecies*m_kk + jSpecies; + size_t nCount = iSpecies*m_kk + jSpecies; getFloatArray(xmlChild, vParams, false, "", stemp); nParamsFound = vParams.size(); if (m_formPitzerTemp == PITZER_TEMP_CONSTANT) { @@ -841,8 +841,8 @@ namespace Cantera { * Find the index of the species in the current phase. It's not * an error to not find the species */ - int iSpecies = speciesIndex(iName); - if (iSpecies < 0) { + size_t iSpecies = speciesIndex(iName); + if (iSpecies == -1) { return; } if (charge[iSpecies] != 0) { @@ -927,24 +927,24 @@ namespace Cantera { * Find the index of the species in the current phase. It's not * an error to not find the species */ - int iSpecies = speciesIndex(iName); - if (iSpecies < 0) { + size_t iSpecies = speciesIndex(iName); + if (iSpecies == -1) { return; } if (charge[iSpecies] != 0.0) { throw CanteraError("HMWSoln::readXMLZetaCation", "neutral charge problem"); } - int jSpecies = speciesIndex(jName); - if (jSpecies < 0) { + size_t jSpecies = speciesIndex(jName); + if (jSpecies == -1) { return; } if (charge[jSpecies] <= 0.0) { throw CanteraError("HMWSoln::readXLZetaCation", "cation1 charge problem"); } - int kSpecies = speciesIndex(kName); - if (kSpecies < 0) { + size_t kSpecies = speciesIndex(kName); + if (kSpecies == -1) { return; } if (charge[kSpecies] >= 0.0) { @@ -959,7 +959,7 @@ namespace Cantera { if (nodeName == "zeta") { getFloatArray(xmlChild, vParams, false, "", "zeta"); nParamsFound = vParams.size(); - int n = iSpecies * m_kk *m_kk + jSpecies * m_kk + kSpecies ; + size_t n = iSpecies * m_kk *m_kk + jSpecies * m_kk + kSpecies ; if (m_formPitzerTemp == PITZER_TEMP_CONSTANT) { if (nParamsFound != 1) { @@ -1494,9 +1494,9 @@ namespace Cantera { string kname, jname; size_t jj = xspecies.size(); for (k = 0; k < m_kk; k++) { - int jmap = -1; + size_t jmap = -1; kname = speciesName(k); - for (int j = 0; j < jj; j++) { + for (size_t j = 0; j < jj; j++) { const XML_Node& sp = *xspecies[j]; jname = sp["name"]; if (jname == kname) { @@ -1504,7 +1504,7 @@ namespace Cantera { break; } } - if (jmap > -1) { + if (jmap != -1) { const XML_Node& sp = *xspecies[jmap]; getOptionalFloat(sp, "stoichIsMods", m_speciesCharge_Stoich[k]); // if (sp.hasChild("stoichIsMods")) { @@ -1525,13 +1525,8 @@ namespace Cantera { getMap(sIsNode, msIs); map::const_iterator _b = msIs.begin(); for (; _b != msIs.end(); ++_b) { - int kk = speciesIndex(_b->first); - if (kk < 0) { - //throw CanteraError( - // "HMWSoln::initThermo error", - // "no species match was found" - // ); - } else { + size_t kk = speciesIndex(_b->first); + if (kk != -1) { double val = fpValue(_b->second); m_speciesCharge_Stoich[kk] = val; } @@ -1630,9 +1625,8 @@ namespace Cantera { getMap(ESTNode, msEST); map::const_iterator _b = msEST.begin(); for (; _b != msEST.end(); ++_b) { - int kk = speciesIndex(_b->first); - if (kk < 0) { - } else { + size_t kk = speciesIndex(_b->first); + if (kk != -1) { string est = _b->second; if ((m_electrolyteSpeciesType[kk] = interp_est(est)) == -1) { throw CanteraError("HMWSoln::initThermoXML", diff --git a/Cantera/src/thermo/IdealGasPhase.cpp b/Cantera/src/thermo/IdealGasPhase.cpp index 4b1f5c92e..8db477ef6 100644 --- a/Cantera/src/thermo/IdealGasPhase.cpp +++ b/Cantera/src/thermo/IdealGasPhase.cpp @@ -440,14 +440,13 @@ namespace Cantera { if (tmax > 0.0) m_tmax = tmax; m_p0 = refPressure(); - int leng = m_kk; - m_h0_RT.resize(leng); - m_g0_RT.resize(leng); - m_expg0_RT.resize(leng); - m_cp0_R.resize(leng); - m_s0_R.resize(leng); - m_pe.resize(leng, 0.0); - m_pp.resize(leng); + m_h0_RT.resize(m_kk); + m_g0_RT.resize(m_kk); + m_expg0_RT.resize(m_kk); + m_cp0_R.resize(m_kk); + m_s0_R.resize(m_kk); + m_pe.resize(m_kk, 0.0); + m_pp.resize(m_kk); } /* diff --git a/Cantera/src/thermo/IdealGasPhase.h b/Cantera/src/thermo/IdealGasPhase.h index 11eb3f777..467bfd354 100644 --- a/Cantera/src/thermo/IdealGasPhase.h +++ b/Cantera/src/thermo/IdealGasPhase.h @@ -877,7 +877,7 @@ namespace Cantera { /*! * This member is defined here, from a call to the Elements ojbect, for speed. */ - int m_mm; + size_t m_mm; //! Minimum temperature for valid species standard state thermo props /*! diff --git a/Cantera/src/thermo/IdealMolalSoln.cpp b/Cantera/src/thermo/IdealMolalSoln.cpp index 2670d15c3..858be33c5 100644 --- a/Cantera/src/thermo/IdealMolalSoln.cpp +++ b/Cantera/src/thermo/IdealMolalSoln.cpp @@ -477,7 +477,7 @@ namespace Cantera { } else { for (int i = 0; i < sizeUA; i++) { if (i == 0) uA[0] = 1.0; - if (i == 1) uA[1] = -nDim(); + if (i == 1) uA[1] = -int(nDim()); if (i == 2) uA[2] = 0.0; if (i == 3) uA[3] = 0.0; if (i == 4) uA[4] = 0.0; @@ -1254,13 +1254,12 @@ namespace Cantera { * Obtain the limits of the temperature from the species * thermo handler's limits. */ - int leng = m_kk; - m_expg0_RT.resize(leng); - m_pe.resize(leng, 0.0); - m_pp.resize(leng); - m_speciesMolarVolume.resize(leng); - m_tmpV.resize(leng); - IMS_lnActCoeffMolal_.resize(leng); + m_expg0_RT.resize(m_kk); + m_pe.resize(m_kk, 0.0); + m_pp.resize(m_kk); + m_speciesMolarVolume.resize(m_kk); + m_tmpV.resize(m_kk); + IMS_lnActCoeffMolal_.resize(m_kk); } diff --git a/Cantera/src/thermo/IdealSolidSolnPhase.cpp b/Cantera/src/thermo/IdealSolidSolnPhase.cpp index 85a7c2feb..d327f87bf 100644 --- a/Cantera/src/thermo/IdealSolidSolnPhase.cpp +++ b/Cantera/src/thermo/IdealSolidSolnPhase.cpp @@ -578,7 +578,7 @@ namespace Cantera { } else { for (int i = 0; i < sizeUA; i++) { if (i == 0) uA[0] = 1.0; - if (i == 1) uA[1] = -nDim(); + if (i == 1) uA[1] = -int(nDim()); if (i == 2) uA[2] = 0.0; if (i == 3) uA[3] = 0.0; if (i == 4) uA[4] = 0.0; @@ -1279,15 +1279,14 @@ namespace Cantera { */ m_Pref = refPressure(); - int leng = m_kk; - m_h0_RT.resize(leng); - m_g0_RT.resize(leng); - m_expg0_RT.resize(leng); - m_cp0_R.resize(leng); - m_s0_R.resize(leng); - m_pe.resize(leng, 0.0); - m_pp.resize(leng); - m_speciesMolarVolume.resize(leng); + m_h0_RT.resize(m_kk); + m_g0_RT.resize(m_kk); + m_expg0_RT.resize(m_kk); + m_cp0_R.resize(m_kk); + m_s0_R.resize(m_kk); + m_pe.resize(m_kk, 0.0); + m_pp.resize(m_kk); + m_speciesMolarVolume.resize(m_kk); } /* diff --git a/Cantera/src/thermo/IdealSolidSolnPhase.h b/Cantera/src/thermo/IdealSolidSolnPhase.h index 6ce2308f8..11c7295d6 100644 --- a/Cantera/src/thermo/IdealSolidSolnPhase.h +++ b/Cantera/src/thermo/IdealSolidSolnPhase.h @@ -1021,7 +1021,7 @@ namespace Cantera { * m_mm = Number of distinct elements defined in species in this * phase */ - int m_mm; + size_t m_mm; /** * Maximum temperature that this phase can accurately describe diff --git a/Cantera/src/thermo/IdealSolnGasVPSS.cpp b/Cantera/src/thermo/IdealSolnGasVPSS.cpp index daf160c75..b1d8dd151 100644 --- a/Cantera/src/thermo/IdealSolnGasVPSS.cpp +++ b/Cantera/src/thermo/IdealSolnGasVPSS.cpp @@ -288,7 +288,7 @@ namespace Cantera { } else { for (int i = 0; i < sizeUA; i++) { if (i == 0) uA[0] = 1.0; - if (i == 1) uA[1] = -nDim(); + if (i == 1) uA[1] = -int(nDim()); if (i == 2) uA[2] = 0.0; if (i == 3) uA[3] = 0.0; if (i == 4) uA[4] = 0.0; diff --git a/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp b/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp index a0c7a324b..4fbd1be37 100644 --- a/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp +++ b/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp @@ -1175,7 +1175,7 @@ namespace Cantera { // been identified. void IonsFromNeutralVPSSTP::initLengths() { m_kk = nSpecies(); - numNeutralMoleculeSpecies_ = neutralMoleculePhase_->nSpecies(); + numNeutralMoleculeSpecies_ = neutralMoleculePhase_->nSpecies(); moleFractions_.resize(m_kk); fm_neutralMolec_ions_.resize(numNeutralMoleculeSpecies_ * m_kk); fm_invert_ionForNeutral.resize(m_kk); @@ -1233,7 +1233,7 @@ namespace Cantera { * with the correct id. */ void IonsFromNeutralVPSSTP::initThermoXML(XML_Node& phaseNode, std::string id) { - int k; + size_t k; /* * variables that need to be populated * @@ -1284,12 +1284,12 @@ namespace Cantera { } - int nElementsN = neutralMoleculePhase_->nElements(); + size_t nElementsN = neutralMoleculePhase_->nElements(); const std::vector& elnamesVN = neutralMoleculePhase_->elementNames(); std::vector elemVectorN(nElementsN); std::vector elemVectorN_orig(nElementsN); - int nElementsI = nElements(); + size_t nElementsI = nElements(); const std::vector& elnamesVI = elementNames(); std::vector elemVectorI(nElementsI); @@ -1444,7 +1444,6 @@ namespace Cantera { void IonsFromNeutralVPSSTP::getdlnActCoeff(const doublereal dT, const doublereal * const dX, doublereal *dlnActCoeff) const { int k, icat, jNeut; doublereal fmij; - int numNeutMolSpec; /* * Get the activity coefficients of the neutral molecules */ @@ -1456,7 +1455,7 @@ namespace Cantera { return; } - numNeutMolSpec = geThermo->nSpecies(); + size_t numNeutMolSpec = geThermo->nSpecies(); vector_fp dlnActCoeff_NeutralMolecule(numNeutMolSpec); vector_fp dX_NeutralMolecule(numNeutMolSpec); diff --git a/Cantera/src/thermo/IonsFromNeutralVPSSTP.h b/Cantera/src/thermo/IonsFromNeutralVPSSTP.h index e9c09421e..286f8c46d 100644 --- a/Cantera/src/thermo/IonsFromNeutralVPSSTP.h +++ b/Cantera/src/thermo/IonsFromNeutralVPSSTP.h @@ -782,13 +782,13 @@ namespace Cantera { * This is equal to the number of species in the * neutralMoleculePhase_ ThermoPhase. */ - int numNeutralMoleculeSpecies_; + size_t numNeutralMoleculeSpecies_; //! Index of special species - int indexSpecialSpecies_; + size_t indexSpecialSpecies_; //! Index of special species - int indexSecondSpecialSpecies_; + size_t indexSecondSpecialSpecies_; //! Formula Matrix for composition of neutral molecules //! in terms of the molecules in this ThermoPhase diff --git a/Cantera/src/thermo/LatticePhase.cpp b/Cantera/src/thermo/LatticePhase.cpp index b13760c4e..57abd386a 100644 --- a/Cantera/src/thermo/LatticePhase.cpp +++ b/Cantera/src/thermo/LatticePhase.cpp @@ -199,11 +199,10 @@ namespace Cantera { if (tmax > 0.0) m_tmax = tmax; m_p0 = refPressure(); - int leng = m_kk; - m_h0_RT.resize(leng); - m_g0_RT.resize(leng); - m_cp0_R.resize(leng); - m_s0_R.resize(leng); + m_h0_RT.resize(m_kk); + m_g0_RT.resize(m_kk); + m_cp0_R.resize(m_kk); + m_s0_R.resize(m_kk); setMolarDensity(m_molar_density); } diff --git a/Cantera/src/thermo/LatticePhase.h b/Cantera/src/thermo/LatticePhase.h index efd6ef8fe..fc8a344fd 100644 --- a/Cantera/src/thermo/LatticePhase.h +++ b/Cantera/src/thermo/LatticePhase.h @@ -762,7 +762,7 @@ namespace Cantera { protected: //! Number of elements - int m_mm; + size_t m_mm; //! Minimum temperature for valid species standard state thermo props /*! diff --git a/Cantera/src/thermo/LatticeSolidPhase.cpp b/Cantera/src/thermo/LatticeSolidPhase.cpp index 24a63a900..aefcd5aac 100644 --- a/Cantera/src/thermo/LatticeSolidPhase.cpp +++ b/Cantera/src/thermo/LatticeSolidPhase.cpp @@ -75,8 +75,7 @@ namespace Cantera { enthalpy_mole() const { _updateThermo(); doublereal ndens, sum = 0.0; - int n; - for (n = 0; n < m_nlattice; n++) { + for (size_t n = 0; n < m_nlattice; n++) { ndens = m_lattice[n]->molarDensity(); sum += ndens * m_lattice[n]->enthalpy_mole(); } @@ -86,8 +85,7 @@ namespace Cantera { doublereal LatticeSolidPhase::intEnergy_mole() const { _updateThermo(); doublereal ndens, sum = 0.0; - int n; - for (n = 0; n < m_nlattice; n++) { + for (size_t n = 0; n < m_nlattice; n++) { ndens = m_lattice[n]->molarDensity(); sum += ndens * m_lattice[n]->intEnergy_mole(); } @@ -97,8 +95,7 @@ namespace Cantera { doublereal LatticeSolidPhase::entropy_mole() const { _updateThermo(); doublereal ndens, sum = 0.0; - int n; - for (n = 0; n < m_nlattice; n++) { + for (size_t n = 0; n < m_nlattice; n++) { ndens = m_lattice[n]->molarDensity(); sum += ndens * m_lattice[n]->entropy_mole(); } @@ -108,8 +105,7 @@ namespace Cantera { doublereal LatticeSolidPhase::gibbs_mole() const { _updateThermo(); doublereal ndens, sum = 0.0; - int n; - for (n = 0; n < m_nlattice; n++) { + for (size_t n = 0; n < m_nlattice; n++) { ndens = m_lattice[n]->molarDensity(); sum += ndens * m_lattice[n]->gibbs_mole(); } @@ -119,8 +115,7 @@ namespace Cantera { doublereal LatticeSolidPhase::cp_mole() const { _updateThermo(); doublereal ndens, sum = 0.0; - int n; - for (n = 0; n < m_nlattice; n++) { + for (size_t n = 0; n < m_nlattice; n++) { ndens = m_lattice[n]->molarDensity(); sum += ndens * m_lattice[n]->cp_mole(); } @@ -129,16 +124,15 @@ namespace Cantera { void LatticeSolidPhase::getActivityConcentrations(doublereal* c) const { _updateThermo(); - int n; - int strt = 0; - for (n = 0; n < m_nlattice; n++) { + size_t strt = 0; + for (size_t n = 0; n < m_nlattice; n++) { m_lattice[n]->getMoleFractions(c+strt); strt += m_lattice[n]->nSpecies(); } } void LatticeSolidPhase::getActivityCoefficients(doublereal* ac) const { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { ac[k] = 1.0; } } @@ -153,10 +147,9 @@ namespace Cantera { void LatticeSolidPhase::getChemPotentials(doublereal* mu) const { _updateThermo(); - int n; - int strt = 0; + size_t strt = 0; double dratio; - for (n = 0; n < m_nlattice; n++) { + for (size_t n = 0; n < m_nlattice; n++) { dratio = m_lattice[n]->molarDensity()/molarDensity(); m_lattice[n]->getChemPotentials(mu+strt); scale(mu + strt, mu + strt + m_lattice[n]->nSpecies(), mu + strt, dratio); @@ -166,10 +159,9 @@ namespace Cantera { void LatticeSolidPhase::getStandardChemPotentials(doublereal* mu0) const { _updateThermo(); - int n; - int strt = 0; + size_t strt = 0; double dratio; - for (n = 0; n < m_nlattice; n++) { + for (size_t n = 0; n < m_nlattice; n++) { dratio = m_lattice[n]->molarDensity()/molarDensity(); m_lattice[n]->getStandardChemPotentials(mu0+strt); scale(mu0 + strt, mu0 + strt + m_lattice[n]->nSpecies(), mu0 + strt, dratio); @@ -181,13 +173,13 @@ namespace Cantera { m_kk = nSpecies(); m_mm = nElements(); m_x.resize(m_kk); - int n, nsp, k, loc = 0; + size_t nsp, loc = 0; doublereal ndens; m_molar_density = 0.0; - for (n = 0; n < m_nlattice; n++) { + for (size_t n = 0; n < m_nlattice; n++) { nsp = m_lattice[n]->nSpecies(); ndens = m_lattice[n]->molarDensity(); - for (k = 0; k < nsp; k++) { + for (size_t k = 0; k < nsp; k++) { m_x[loc] = ndens * m_lattice[n]->moleFraction(k); loc++; } @@ -234,10 +226,9 @@ namespace Cantera { // +fp2str(m_molar_density)+" to "+fp2str(molarDensity())); //} if (m_tlast != tnow) { - int n; getMoleFractions(DATA_PTR(m_x)); - int strt = 0; - for (n = 0; n < m_nlattice; n++) { + size_t strt = 0; + for (size_t n = 0; n < m_nlattice; n++) { m_lattice[n]->setTemperature(tnow); m_lattice[n]->setMoleFractions(DATA_PTR(m_x) + strt); m_lattice[n]->setPressure(m_press); @@ -247,15 +238,14 @@ namespace Cantera { } } - void LatticeSolidPhase::setLatticeMoleFractions(int nn, - string x) { + void LatticeSolidPhase::setLatticeMoleFractions(int nn, string x) { m_lattice[nn]->setMoleFractionsByName(x); - int n, k, loc=0, nsp; + size_t loc=0, nsp; doublereal ndens; - for (n = 0; n < m_nlattice; n++) { + for (size_t n = 0; n < m_nlattice; n++) { nsp = m_lattice[n]->nSpecies(); ndens = m_lattice[n]->molarDensity(); - for (k = 0; k < nsp; k++) { + for (size_t k = 0; k < nsp; k++) { m_x[loc] = ndens * m_lattice[n]->moleFraction(k); loc++; } diff --git a/Cantera/src/thermo/MargulesVPSSTP.cpp b/Cantera/src/thermo/MargulesVPSSTP.cpp index 6c8345957..1cc115709 100644 --- a/Cantera/src/thermo/MargulesVPSSTP.cpp +++ b/Cantera/src/thermo/MargulesVPSSTP.cpp @@ -177,16 +177,16 @@ namespace Cantera { m_SE_d_ij[0] = 0.0; - int iLiCl = speciesIndex("LiCl(L)"); - if (iLiCl < 0) { + size_t iLiCl = speciesIndex("LiCl(L)"); + if (iLiCl == -1) { throw CanteraError("MargulesVPSSTP test1 constructor", "Unable to find LiCl(L)"); } m_pSpecies_B_ij[0] = iLiCl; - int iKCl = speciesIndex("KCl(L)"); - if (iKCl < 0) { + size_t iKCl = speciesIndex("KCl(L)"); + if (iKCl == -1) { throw CanteraError("MargulesVPSSTP test1 constructor", "Unable to find KCl(L)"); } @@ -987,16 +987,16 @@ namespace Cantera { * Find the index of the species in the current phase. It's not * an error to not find the species */ - int iSpecies = speciesIndex(iName); - if (iSpecies < 0) { + size_t iSpecies = speciesIndex(iName); + if (iSpecies == -1) { return; } string ispName = speciesName(iSpecies); if (charge[iSpecies] != 0) { throw CanteraError("MargulesVPSSTP::readXMLBinarySpecies", "speciesA charge problem"); } - int jSpecies = speciesIndex(jName); - if (jSpecies < 0) { + size_t jSpecies = speciesIndex(jName); + if (jSpecies == -1) { return; } string jspName = speciesName(jSpecies); diff --git a/Cantera/src/thermo/MargulesVPSSTP.h b/Cantera/src/thermo/MargulesVPSSTP.h index 8d047b800..5f869f0df 100644 --- a/Cantera/src/thermo/MargulesVPSSTP.h +++ b/Cantera/src/thermo/MargulesVPSSTP.h @@ -856,14 +856,14 @@ namespace Cantera { * Each Margules excess Gibbs free energy term involves two species, A and B. * This vector identifies species A. */ - vector_int m_pSpecies_A_ij; + std::vector m_pSpecies_A_ij; //! vector of species indices representing species B in the interaction /*! * Each Margules excess Gibbs free energy term involves two species, A and B. * This vector identifies species B. */ - vector_int m_pSpecies_B_ij; + std::vector m_pSpecies_B_ij; //! form of the Margules interaction expression /*! diff --git a/Cantera/src/thermo/MineralEQ3.cpp b/Cantera/src/thermo/MineralEQ3.cpp index 3445dc606..6a7ff188b 100644 --- a/Cantera/src/thermo/MineralEQ3.cpp +++ b/Cantera/src/thermo/MineralEQ3.cpp @@ -539,8 +539,8 @@ namespace Cantera { throw CanteraError("LookupGe", "element " + s + " not found"); return -1.0; #else - int iE = elementIndex(elemName); - if (iE < 0) { + size_t iE = elementIndex(elemName); + if (iE == -1) { throw CanteraError("PDSS_HKFT::LookupGe", "element " + elemName + " not found"); } doublereal geValue = entropyElement298(iE); @@ -557,13 +557,12 @@ namespace Cantera { /* * Ok let's get the element compositions and conversion factors. */ - int ne = nElements(); doublereal na; doublereal ge; string ename; doublereal totalSum = 0.0; - for (int m = 0; m < ne; m++) { + for (size_t m = 0; m < nElements(); m++) { na = nAtoms(0, m); if (na > 0.0) { ename = elementName(m); diff --git a/Cantera/src/thermo/MolalityVPSSTP.cpp b/Cantera/src/thermo/MolalityVPSSTP.cpp index 1bbad2209..a19b7583a 100644 --- a/Cantera/src/thermo/MolalityVPSSTP.cpp +++ b/Cantera/src/thermo/MolalityVPSSTP.cpp @@ -307,7 +307,7 @@ namespace Cantera { double xmolS = mf[m_indexSolvent]; double xmolSmin = max(xmolS, m_xmolSolventMIN); compositionMap::iterator p; - for (int k = 0; k < kk; k++) { + for (size_t k = 0; k < kk; k++) { p = mMap.find(speciesName(k)); if (p != mMap.end()) { x = mMap[speciesName(k)]; @@ -319,12 +319,12 @@ namespace Cantera { /* * check charge neutrality */ - int largePos = -1; + size_t largePos = -1; double cPos = 0.0; - int largeNeg = -1; + size_t largeNeg = -1; double cNeg = 0.0; double sum = 0.0; - for (int k = 0; k < kk; k++) { + for (size_t k = 0; k < kk; k++) { double ch = charge(k); if (mf[k] > 0.0) { if (ch > 0.0) { @@ -361,11 +361,11 @@ namespace Cantera { } sum = 0.0; - for (int k = 0; k < kk; k++) { + for (size_t k = 0; k < kk; k++) { sum += mf[k]; } sum = 1.0/sum; - for (int k = 0; k < kk; k++) { + for (size_t k = 0; k < kk; k++) { mf[k] *= sum; } setMoleFractions(DATA_PTR(mf)); @@ -384,8 +384,7 @@ namespace Cantera { */ void MolalityVPSSTP::setMolalitiesByName(const std::string& x) { compositionMap xx; - int kk = nSpecies(); - for (int k = 0; k < kk; k++) { + for (size_t k = 0; k < nSpecies(); k++) { xx[speciesName(k)] = -1.0; } parseCompString(x, xx); @@ -565,7 +564,7 @@ namespace Cantera { void MolalityVPSSTP::getUnitsStandardConc(double *uA, int k, int sizeUA) const { for (int i = 0; i < sizeUA; i++) { if (i == 0) uA[0] = 1.0; - if (i == 1) uA[1] = -nDim(); + if (i == 1) uA[1] = -int(nDim()); if (i == 2) uA[2] = 0.0; if (i == 3) uA[3] = 0.0; if (i == 4) uA[4] = 0.0; @@ -687,13 +686,13 @@ namespace Cantera { * must be named "Cl-". It must consist of exactly one Cl and one E * atom. */ - int MolalityVPSSTP::findCLMIndex() const { - int indexCLM = -1; - int eCl = -1; - int eE = -1; - int ne= nElements(); + size_t MolalityVPSSTP::findCLMIndex() const { + size_t indexCLM = -1; + size_t eCl = -1; + size_t eE = -1; + size_t ne = nElements(); string sn; - for (int e = 0; e < ne; e++) { + for (size_t e = 0; e < ne; e++) { sn = elementName(e); if (sn == "Cl" || sn == "CL") { eCl = e; @@ -704,7 +703,7 @@ namespace Cantera { if (eCl == -1) { return -1; } - for (int e = 0; e < ne; e++) { + for (size_t e = 0; e < ne; e++) { sn = elementName(e); if (sn == "E" || sn == "e") { eE = e; @@ -715,7 +714,7 @@ namespace Cantera { if (eE == -1) { return -1; } - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { doublereal nCl = nAtoms(k, eCl); if (nCl != 1.0) { continue; @@ -724,7 +723,7 @@ namespace Cantera { if (nE != 1.0) { continue; } - for (int e = 0; e < ne; e++) { + for (size_t e = 0; e < ne; e++) { if (e != eE && e != eCl) { doublereal nA = nAtoms(k, e); if (nA != 0.0) { @@ -802,7 +801,7 @@ namespace Cantera { sprintf(p, " potential %12.6g V\n", phi); s += p; - int kk = nSpecies(); + size_t kk = nSpecies(); array_fp x(kk); array_fp molal(kk); array_fp mu(kk); @@ -816,8 +815,8 @@ namespace Cantera { getMolalityActivityCoefficients(&acMolal[0]); getActivities(&actMolal[0]); - int iHp = speciesIndex("H+"); - if (iHp >= 0) { + size_t iHp = speciesIndex("H+"); + if (iHp != -1) { double pH = -log(actMolal[iHp]) / log(10.0); sprintf(p, " pH %12.4g \n", pH); s += p; @@ -855,11 +854,6 @@ namespace Cantera { s += p; } } - - - //doublereal rt = GasConstant * temperature(); - int k; - sprintf(p, " \n"); s += p; @@ -873,7 +867,7 @@ namespace Cantera { sprintf(p, " ------------- " " ------------ ------------ ------------ ------------\n"); s += p; - for (k = 0; k < kk; k++) { + for (size_t k = 0; k < kk; k++) { if (x[k] > SmallNumber) { sprintf(p, "%18s %12.6g %12.6g %12.6g %12.6g %12.6g\n", speciesName(k).c_str(), x[k], molal[k], mu[k], muss[k], acMolal[k]); @@ -892,7 +886,7 @@ namespace Cantera { sprintf(p, " -------------" " ------------\n"); s += p; - for (k = 0; k < kk; k++) { + for (size_t k = 0; k < kk; k++) { sprintf(p, "%18s %12.6g %12.6g\n", speciesName(k).c_str(), x[k], molal[k]); s += p; @@ -969,8 +963,8 @@ namespace Cantera { getActivities(&temp[0]); pNames.push_back("Molal Activity"); data.push_back(temp); - int iHp = speciesIndex("H+"); - if (iHp >= 0) { + size_t iHp = speciesIndex("H+"); + if (iHp != -1) { double pH = -log(temp[iHp]) / log(10.0); csvFile << setw(tabL) << "pH = " << setw(tabS) << pH << endl; } @@ -1008,7 +1002,7 @@ namespace Cantera { catch (CanteraError) {;} csvFile << endl << setw(tabS) << "Species,"; - for ( int i = 0; i < (int)pNames.size(); i++ ){ + for (size_t i = 0; i < pNames.size(); i++) { csvFile << setw(tabM) << pNames[i] << ","; } csvFile << endl; @@ -1017,16 +1011,16 @@ namespace Cantera { csvFile << setw(tabS+(tabM+1)*pNames.size()) << "-\n"; csvFile.fill(' '); */ - for (int k = 0; k < nSpecies(); k++) { + for (size_t k = 0; k < nSpecies(); k++) { csvFile << setw(tabS) << speciesName(k) + ","; if (data[0][k] > SmallNumber) { - for ( int i = 0; i < (int)pNames.size(); i++ ){ + for (size_t i = 0; i < pNames.size(); i++) { csvFile << setw(tabM) << data[i][k] << ","; } csvFile << endl; } else{ - for ( int i = 0; i < (int)pNames.size(); i++ ){ + for (size_t i = 0; i < pNames.size(); i++) { csvFile << setw(tabM) << 0 << ","; } csvFile << endl; diff --git a/Cantera/src/thermo/MolalityVPSSTP.h b/Cantera/src/thermo/MolalityVPSSTP.h index cfeb26bd4..c39e3731a 100644 --- a/Cantera/src/thermo/MolalityVPSSTP.h +++ b/Cantera/src/thermo/MolalityVPSSTP.h @@ -843,7 +843,7 @@ namespace Cantera { * must be named "Cl-". It must consist of exactly one Cl and one E * atom. */ - virtual int findCLMIndex() const; + virtual size_t findCLMIndex() const; //! Initialize lengths of local variables after all species have //! been identified. diff --git a/Cantera/src/thermo/Nasa9PolyMultiTempRegion.cpp b/Cantera/src/thermo/Nasa9PolyMultiTempRegion.cpp index 5ef6bc3e9..b29180556 100644 --- a/Cantera/src/thermo/Nasa9PolyMultiTempRegion.cpp +++ b/Cantera/src/thermo/Nasa9PolyMultiTempRegion.cpp @@ -107,7 +107,7 @@ namespace Cantera { m_highT = m_regionPts[m_numTempRegions-1]->maxTemp(); m_Pref = m_regionPts[0]->refPressure(); m_index = m_regionPts[0]->speciesIndex(); - for (int i = 0; i < m_numTempRegions; i++) { + for (size_t i = 0; i < m_numTempRegions; i++) { m_lowerTempBounds[i] = m_regionPts[i]->minTemp(); if (m_regionPts[i]->speciesIndex() != m_index) { throw CanteraError("Nasa9PolyMultiTempRegion::Nasa9PolyMultiTempRegion", @@ -145,7 +145,7 @@ namespace Cantera { m_currRegion(b.m_currRegion) { m_regionPts.resize(m_numTempRegions); - for (int i = 0; i < m_numTempRegions; i++) { + for (size_t i = 0; i < m_numTempRegions; i++) { Nasa9Poly1 * dptr = b.m_regionPts[i]; m_regionPts[i] = new Nasa9Poly1(*dptr); } @@ -158,7 +158,7 @@ namespace Cantera { Nasa9PolyMultiTempRegion& Nasa9PolyMultiTempRegion::operator=(const Nasa9PolyMultiTempRegion& b) { if (&b != this) { - for (int i = 0; i < m_numTempRegions; i++) { + for (size_t i = 0; i < m_numTempRegions; i++) { delete m_regionPts[i]; m_regionPts[i] = 0; } @@ -170,7 +170,7 @@ namespace Cantera { m_lowerTempBounds = b.m_lowerTempBounds; m_currRegion = b.m_currRegion; m_regionPts.resize(m_numTempRegions); - for (int i = 0; i < m_numTempRegions; i++) { + for (size_t i = 0; i < m_numTempRegions; i++) { m_regionPts[i] = new Nasa9Poly1(*(b.m_regionPts[i])); } } @@ -179,7 +179,7 @@ namespace Cantera { // Destructor Nasa9PolyMultiTempRegion::~Nasa9PolyMultiTempRegion() { - for (int i = 0; i < m_numTempRegions; i++) { + for (size_t i = 0; i < m_numTempRegions; i++) { delete m_regionPts[i]; m_regionPts[i] = 0; } @@ -308,7 +308,7 @@ namespace Cantera { tPoly[6] = std::log(temp); // Now find the region m_currRegion = 0; - for (int i = 1; i < m_numTempRegions; i++) { + for (size_t i = 1; i < m_numTempRegions; i++) { if (temp < m_lowerTempBounds[i]) { break; } @@ -347,7 +347,7 @@ namespace Cantera { int n_tmp = 0;; int type_tmp = 0; double pref_tmp = 0.0; - for (int iReg = 0; iReg < m_numTempRegions; iReg++) { + for (size_t iReg = 0; iReg < m_numTempRegions; iReg++) { m_regionPts[iReg]->reportParameters(n_tmp, type_tmp, coeffs[index], coeffs[index+1], pref_tmp, ctmp); @@ -366,12 +366,10 @@ namespace Cantera { */ void Nasa9PolyMultiTempRegion::modifyParameters(doublereal* coeffs) { int index = 3; - for (int iReg = 0; iReg < m_numTempRegions; iReg++) { + for (size_t iReg = 0; iReg < m_numTempRegions; iReg++) { m_regionPts[iReg]->modifyParameters(coeffs + index); index += 11; } } - } - diff --git a/Cantera/src/thermo/PDSS_HKFT.cpp b/Cantera/src/thermo/PDSS_HKFT.cpp index 389454725..3d72eb81f 100644 --- a/Cantera/src/thermo/PDSS_HKFT.cpp +++ b/Cantera/src/thermo/PDSS_HKFT.cpp @@ -1214,8 +1214,8 @@ namespace Cantera { throw CanteraError("LookupGe", "element " + s + " not found"); return -1.0; #else - int iE = m_tp->elementIndex(elemName); - if (iE < 0) { + size_t iE = m_tp->elementIndex(elemName); + if (iE == -1) { throw CanteraError("PDSS_HKFT::LookupGe", "element " + elemName + " not found"); } doublereal geValue = m_tp->entropyElement298(iE); @@ -1232,13 +1232,13 @@ namespace Cantera { /* * Ok let's get the element compositions and conversion factors. */ - int ne = m_tp->nElements(); + size_t ne = m_tp->nElements(); doublereal na; doublereal ge; string ename; doublereal totalSum = 0.0; - for (int m = 0; m < ne; m++) { + for (size_t m = 0; m < ne; m++) { na = m_tp->nAtoms(m_spindex, m); if (na > 0.0) { ename = m_tp->elementName(m); diff --git a/Cantera/src/thermo/PDSS_IonsFromNeutral.cpp b/Cantera/src/thermo/PDSS_IonsFromNeutral.cpp index 3084a0ff3..0c7188c03 100644 --- a/Cantera/src/thermo/PDSS_IonsFromNeutral.cpp +++ b/Cantera/src/thermo/PDSS_IonsFromNeutral.cpp @@ -171,7 +171,7 @@ namespace Cantera { factorVec.resize(numMult_); tmpNM.resize(neutralMoleculePhase_->nSpecies()); - for (int i = 0; i < numMult_; i++) { + for (size_t i = 0; i < numMult_; i++) { idNeutralMoleculeVec[i] = neutralMoleculePhase_->speciesIndex(key[i]); factorVec[i] = fpValueCheck(val[i]); } diff --git a/Cantera/src/thermo/PDSS_IonsFromNeutral.h b/Cantera/src/thermo/PDSS_IonsFromNeutral.h index 0e269aff7..c2e524c54 100644 --- a/Cantera/src/thermo/PDSS_IonsFromNeutral.h +++ b/Cantera/src/thermo/PDSS_IonsFromNeutral.h @@ -457,9 +457,9 @@ namespace Cantera { ThermoPhase *neutralMoleculePhase_; public: - int numMult_; + size_t numMult_; - std::vector idNeutralMoleculeVec; + std::vector idNeutralMoleculeVec; std::vector factorVec; diff --git a/Cantera/src/thermo/Phase.cpp b/Cantera/src/thermo/Phase.cpp index f6ac9e926..f43f5af18 100644 --- a/Cantera/src/thermo/Phase.cpp +++ b/Cantera/src/thermo/Phase.cpp @@ -124,11 +124,11 @@ namespace Cantera { m_name = nm; } - int Phase::index() const { + size_t Phase::index() const { return m_index; } - void Phase::setIndex(int m) { + void Phase::setIndex(size_t m) { m_index = m; } @@ -159,10 +159,10 @@ namespace Cantera { } void Phase::setMoleFractionsByName(compositionMap& xMap) { - int kk = nSpecies(); + size_t kk = nSpecies(); doublereal x; vector_fp mf(kk, 0.0); - for (int k = 0; k < kk; k++) { + for (size_t k = 0; k < kk; k++) { x = xMap[speciesName(k)]; if (x > 0.0) mf[k] = x; } @@ -170,9 +170,9 @@ namespace Cantera { } void Phase::setMoleFractionsByName(const std::string& x) { + size_t kk = nSpecies(); compositionMap xx; - int kk = nSpecies(); - for (int k = 0; k < kk; k++) { + for (size_t k = 0; k < kk; k++) { xx[speciesName(k)] = -1.0; } parseCompString(x, xx); @@ -186,10 +186,10 @@ namespace Cantera { } void Phase::setMassFractionsByName(compositionMap& yMap) { - int kk = nSpecies(); + size_t kk = nSpecies(); doublereal y; vector_fp mf(kk, 0.0); - for (int k = 0; k < kk; k++) { + for (size_t k = 0; k < kk; k++) { y = yMap[speciesName(k)]; if (y > 0.0) mf[k] = y; } @@ -197,9 +197,9 @@ namespace Cantera { } void Phase::setMassFractionsByName(const std::string& y) { + size_t kk = nSpecies(); compositionMap yy; - int kk = nSpecies(); - for (int k = 0; k < kk; k++) { + for (size_t k = 0; k < kk; k++) { yy[speciesName(k)] = -1.0; } parseCompString(y, yy); @@ -300,37 +300,36 @@ namespace Cantera { */ void Phase::getMoleFractionsByName(compositionMap& x) const { x.clear(); - int kk = nSpecies(); + size_t kk = nSpecies(); for (int k = 0; k < kk; k++) { x[speciesName(k)] = State::moleFraction(k); } } - doublereal Phase::moleFraction(int k) const { + doublereal Phase::moleFraction(size_t k) const { return State::moleFraction(k); } doublereal Phase::moleFraction(std::string name) const { - int iloc = speciesIndex(name); - if (iloc >= 0) return State::moleFraction(iloc); + size_t iloc = speciesIndex(name); + if (iloc != -1) return State::moleFraction(iloc); else return 0.0; } - doublereal Phase::massFraction(int k) const { + doublereal Phase::massFraction(size_t k) const { return State::massFraction(k); } doublereal Phase::massFraction(std::string name) const { - int iloc = speciesIndex(name); - if (iloc >= 0) return massFractions()[iloc]; + size_t iloc = speciesIndex(name); + if (iloc != -1) return massFractions()[iloc]; else return 0.0; } doublereal Phase::chargeDensity() const { - int k; - int nsp = nSpecies(); + size_t kk = nSpecies(); doublereal cdens = 0.0; - for (k = 0; k < nsp; k++) + for (size_t k = 0; k < kk; k++) cdens += charge(k)*State::moleFraction(k); cdens *= Faraday; return cdens; @@ -343,15 +342,13 @@ namespace Cantera { void Phase::freezeSpecies() { Constituents::freezeSpecies(); init(Constituents::molecularWeights()); - int kk = nSpecies(); - int nv = kk + 2; + size_t kk = nSpecies(); + size_t nv = kk + 2; m_data.resize(nv,0.0); m_data[0] = 300.0; m_data[1] = 0.001; m_data[2] = 1.0; - //setState_TRY(300.0, density(), &m_data[2]); - m_kk = nSpecies(); } diff --git a/Cantera/src/thermo/Phase.h b/Cantera/src/thermo/Phase.h index b8e36e764..6799a6724 100644 --- a/Cantera/src/thermo/Phase.h +++ b/Cantera/src/thermo/Phase.h @@ -220,7 +220,7 @@ namespace Cantera { * The index is used in the Python and matlab interfaces to * index into a list of ThermoPhase objects */ - int index() const; + size_t index() const; //! Sets the index of the phase /*! @@ -229,7 +229,7 @@ namespace Cantera { * * @param m Integer index of the phase */ - void setIndex(int m); + void setIndex(size_t m); //! Save the current internal state of the phase /*! @@ -434,7 +434,7 @@ namespace Cantera { * * @return Mole fraction of the species */ - doublereal moleFraction(int k) const; + doublereal moleFraction(size_t k) const; //! Return the mole fraction of a single species /*! @@ -450,7 +450,7 @@ namespace Cantera { * * @return Mass Fraction of the species */ - doublereal massFraction(int k) const; + doublereal massFraction(size_t k) const; //! Return the mass fraction of a single species /*! @@ -466,7 +466,7 @@ namespace Cantera { doublereal chargeDensity() const; /// Returns the number of spatial dimensions (1, 2, or 3) - int nDim() const {return m_ndim;} + size_t nDim() const {return m_ndim;} //! Set the number of spatial dimensions (1, 2, or 3) /*! @@ -475,7 +475,7 @@ namespace Cantera { * * @param ndim Input number of dimensions. */ - void setNDim(int ndim) {m_ndim = ndim;} + void setNDim(size_t ndim) {m_ndim = ndim;} /** * Finished adding species, prepare to use them for calculation @@ -495,19 +495,19 @@ namespace Cantera { * to restate it in here, so that the declarations in the two * base classes become hidden. */ - int m_kk; + size_t m_kk; /** * m_ndim is the dimensionality of the phase. Volumetric * phases have dimensionality 3 and surface phases have * dimensionality 2. */ - int m_ndim; + size_t m_ndim; /** * m_index is the index of the phase * */ - int m_index; + size_t m_index; private: diff --git a/Cantera/src/thermo/PseudoBinaryVPSSTP.cpp b/Cantera/src/thermo/PseudoBinaryVPSSTP.cpp index a10408b90..ccd84c676 100644 --- a/Cantera/src/thermo/PseudoBinaryVPSSTP.cpp +++ b/Cantera/src/thermo/PseudoBinaryVPSSTP.cpp @@ -306,7 +306,7 @@ namespace Cantera { sprintf(p, " potential %12.6g V\n", phi); s += p; - int kk = nSpecies(); + size_t kk = nSpecies(); array_fp x(kk); array_fp molal(kk); array_fp mu(kk); diff --git a/Cantera/src/thermo/PseudoBinaryVPSSTP.h b/Cantera/src/thermo/PseudoBinaryVPSSTP.h index 5913e0b88..3970caeac 100644 --- a/Cantera/src/thermo/PseudoBinaryVPSSTP.h +++ b/Cantera/src/thermo/PseudoBinaryVPSSTP.h @@ -343,22 +343,22 @@ namespace Cantera { int PBType_; //! Number of pseudo binary species - int numPBSpecies_; + size_t numPBSpecies_; //! index of special species - int indexSpecialSpecies_; + size_t indexSpecialSpecies_; mutable std::vector PBMoleFractions_; std::vector cationList_; - int numCationSpecies_; + size_t numCationSpecies_; std::vectoranionList_; - int numAnionSpecies_; + size_t numAnionSpecies_; std::vector passThroughList_; - int numPassThroughSpecies_; - int neutralPBindexStart; + size_t numPassThroughSpecies_; + size_t neutralPBindexStart; ThermoPhase *cationPhase_; diff --git a/Cantera/src/thermo/PureFluidPhase.cpp b/Cantera/src/thermo/PureFluidPhase.cpp index 6a70477cb..1e1b16c9f 100644 --- a/Cantera/src/thermo/PureFluidPhase.cpp +++ b/Cantera/src/thermo/PureFluidPhase.cpp @@ -375,7 +375,7 @@ namespace Cantera { } } - int kk = nSpecies(); + size_t kk = nSpecies(); array_fp x(kk); array_fp y(kk); array_fp mu(kk); @@ -383,7 +383,6 @@ namespace Cantera { getMassFractions(&y[0]); getChemPotentials(&mu[0]); doublereal rt = GasConstant * temperature(); - int k; //if (th.nSpecies() > 1) { if (show_thermo) { @@ -393,7 +392,7 @@ namespace Cantera { sprintf(p, " ------------- " "------------ ------------\n"); s += p; - for (k = 0; k < kk; k++) { + for (size_t k = 0; k < kk; k++) { if (x[k] > SmallNumber) { sprintf(p, "%18s %12.6g %12.6g %12.6g\n", speciesName(k).c_str(), x[k], y[k], mu[k]/rt); @@ -412,7 +411,7 @@ namespace Cantera { sprintf(p, " -------------" " ------------\n"); s += p; - for (k = 0; k < kk; k++) { + for (size_t k = 0; k < kk; k++) { sprintf(p, "%18s %12.6g %12.6g\n", speciesName(k).c_str(), x[k], y[k]); s += p; diff --git a/Cantera/src/thermo/SemiconductorPhase.cpp b/Cantera/src/thermo/SemiconductorPhase.cpp index 8368eda9b..d3f01a93f 100644 --- a/Cantera/src/thermo/SemiconductorPhase.cpp +++ b/Cantera/src/thermo/SemiconductorPhase.cpp @@ -66,7 +66,6 @@ namespace Cantera { // private void SemiconductorPhase::initLengths() { - int ns = nSpecies(); - m_work.resize(ns); + m_work.resize(nSpecies()); } } diff --git a/Cantera/src/thermo/SpeciesThermoFactory.cpp b/Cantera/src/thermo/SpeciesThermoFactory.cpp index 3f729f99c..421d4d1b9 100644 --- a/Cantera/src/thermo/SpeciesThermoFactory.cpp +++ b/Cantera/src/thermo/SpeciesThermoFactory.cpp @@ -444,8 +444,8 @@ namespace Cantera { throw CanteraError("LookupGe", "element " + s + " not found"); return -1.0; #else - int iE = th_ptr->elementIndex(elemName); - if (iE < 0) { + size_t iE = th_ptr->elementIndex(elemName); + if (iE == -1) { throw CanteraError("PDSS_HKFT::LookupGe", "element " + elemName + " not found"); } doublereal geValue = th_ptr->entropyElement298(iE); @@ -462,13 +462,13 @@ namespace Cantera { /* * Ok let's get the element compositions and conversion factors. */ - int ne = th_ptr->nElements(); + size_t ne = th_ptr->nElements(); doublereal na; doublereal ge; string ename; doublereal totalSum = 0.0; - for (int m = 0; m < ne; m++) { + for (size_t m = 0; m < ne; m++) { na = th_ptr->nAtoms(k, m); if (na > 0.0) { ename = th_ptr->elementName(m); @@ -651,7 +651,7 @@ namespace Cantera { std::vector regionPtrs; doublereal tmin, tmax, pref = OneAtm; // Loop over all of the possible temperature regions - for (int i = 0; i < tp.size(); i++) { + for (size_t i = 0; i < tp.size(); i++) { fptr = tp[i]; if (fptr) { if (fptr->name() == "NASA9") { diff --git a/Cantera/src/thermo/State.cpp b/Cantera/src/thermo/State.cpp index a370d1d7a..e92d28a70 100644 --- a/Cantera/src/thermo/State.cpp +++ b/Cantera/src/thermo/State.cpp @@ -83,8 +83,8 @@ namespace Cantera { return *this; } - doublereal State::moleFraction(const int k) const { - if (k >= 0 && k < m_kk) { + doublereal State::moleFraction(const size_t k) const { + if (k < m_kk) { return m_ym[k] * m_mmw; } else { @@ -118,16 +118,16 @@ namespace Cantera { stateMFChangeCalc(); } - doublereal State::massFraction(const int k) const { - if (k >= 0 && k < m_kk) { + doublereal State::massFraction(const size_t k) const { + if (k < m_kk) { return m_y[k]; } throw CanteraError("State:massFraction", "illegal species index number"); return 0.0; } - doublereal State::concentration(const int k) const { - if (k >= 0 && k < m_kk) { + doublereal State::concentration(const size_t k) const { + if (k < m_kk) { return m_y[k] * m_dens * m_rmolwts[k] ; } throw CanteraError("State:massFraction", "illegal species index number"); @@ -246,7 +246,7 @@ namespace Cantera { m_y.resize(m_kk, 0.0); m_ym.resize(m_kk, 0.0); copy(mw.begin(), mw.end(), m_molwts.begin()); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (m_molwts[k] < 0.0) { throw CanteraError("State::init", "negative molecular weight for species number "+int2str(k)); diff --git a/Cantera/src/thermo/State.h b/Cantera/src/thermo/State.h index 1654ebf15..75f9c4827 100644 --- a/Cantera/src/thermo/State.h +++ b/Cantera/src/thermo/State.h @@ -112,7 +112,7 @@ namespace Cantera { * mole fractions of all species are desired. * @param k species index */ - doublereal moleFraction(const int k) const; + doublereal moleFraction(const size_t k) const; //! Set the mole fractions to the specified values, and then @@ -162,7 +162,7 @@ namespace Cantera { * * @param k species index */ - doublereal massFraction(const int k) const; + doublereal massFraction(const size_t k) const; /** * Set the mass fractions to the specified values, and then @@ -205,7 +205,7 @@ namespace Cantera { * * @param k Index of species */ - doublereal concentration(const int k) const; + doublereal concentration(const size_t k) const; //! Set the concentrations to the specified values within the //! phase. diff --git a/Cantera/src/thermo/StoichSubstance.cpp b/Cantera/src/thermo/StoichSubstance.cpp index 3d7143575..777821a27 100644 --- a/Cantera/src/thermo/StoichSubstance.cpp +++ b/Cantera/src/thermo/StoichSubstance.cpp @@ -125,10 +125,9 @@ namespace Cantera { if (tmax > 0.0) m_tmax = tmax; m_p0 = refPressure(); - int leng = m_kk; - m_h0_RT.resize(leng); - m_cp0_R.resize(leng); - m_s0_R.resize(leng); + m_h0_RT.resize(m_kk); + m_cp0_R.resize(m_kk); + m_s0_R.resize(m_kk); // Put the object on a valid temperature point. double tnow = 300.; diff --git a/Cantera/src/thermo/StoichSubstance.h b/Cantera/src/thermo/StoichSubstance.h index e88eb2755..cf8d1fb31 100644 --- a/Cantera/src/thermo/StoichSubstance.h +++ b/Cantera/src/thermo/StoichSubstance.h @@ -386,7 +386,7 @@ namespace Cantera { protected: - int m_kk; + size_t m_kk; doublereal m_tmin, m_tmax, m_press, m_p0; mutable doublereal m_tlast; diff --git a/Cantera/src/thermo/ThermoFactory.cpp b/Cantera/src/thermo/ThermoFactory.cpp index 0a0a8c129..09113d6e9 100644 --- a/Cantera/src/thermo/ThermoFactory.cpp +++ b/Cantera/src/thermo/ThermoFactory.cpp @@ -291,10 +291,10 @@ namespace Cantera { // used to check that each species is declared only once std::map declared; - int nSpecies = 0; + size_t nSpecies = 0; bool skip; - for (int jsp = 0; jsp < spArray_dbases.size(); jsp++) { + for (size_t jsp = 0; jsp < spArray_dbases.size(); jsp++) { const XML_Node& speciesArray = *spArray_names[jsp]; // Get the top XML for the database @@ -303,7 +303,7 @@ namespace Cantera { // Get the array of species name strings and the count them std::vector spnames; getStringArray(speciesArray, spnames); - int nsp = static_cast(spnames.size()); + size_t nsp = spnames.size(); // if 'all' is specified as the one and only species in the // spArray_names field, then add all species @@ -311,9 +311,9 @@ namespace Cantera { if (nsp == 1 && spnames[0] == "all") { std::vector allsp; db->getChildren("species", allsp); - nsp = static_cast(allsp.size()); + nsp = allsp.size(); spnames.resize(nsp); - for (int nn = 0; nn < nsp; nn++) { + for (size_t nn = 0; nn < nsp; nn++) { string stemp = (*allsp[nn])["name"]; bool skip = false; if (declared[stemp]) { @@ -339,9 +339,9 @@ namespace Cantera { else if (nsp == 1 && spnames[0] == "unique") { std::vector allsp; db->getChildren("species", allsp); - nsp = static_cast(allsp.size()); + nsp = allsp.size(); spnames.resize(nsp); - for (int nn = 0; nn < nsp; nn++) { + for (size_t nn = 0; nn < nsp; nn++) { string stemp = (*allsp[nn])["name"]; bool skip = false; if (declared[stemp]) { @@ -359,7 +359,7 @@ namespace Cantera { } } } else { - for (int k = 0; k < nsp; k++) { + for (size_t k = 0; k < nsp; k++) { string stemp = spnames[k]; skip = false; if (declared[stemp]) { @@ -592,8 +592,8 @@ namespace Cantera { th->setSpeciesThermo(spth); } - int k = 0; - for (int i = 0; i < spDataNodeList.size(); i++) { + size_t k = 0; + for (size_t i = 0; i < spDataNodeList.size(); i++) { XML_Node *s = spDataNodeList[i]; AssertTrace(s != 0); bool ok = installSpecies(k, *s, *th, spth, spRuleList[i], @@ -756,7 +756,7 @@ namespace Cantera { } vector xspecies; phaseSpeciesData->getChildren("species", xspecies); - for (int j = 0; j < xspecies.size(); j++) { + for (size_t j = 0; j < xspecies.size(); j++) { const XML_Node& sp = *xspecies[j]; jname = sp["name"]; if (jname == kname) { diff --git a/Cantera/src/thermo/VPStandardStateTP.cpp b/Cantera/src/thermo/VPStandardStateTP.cpp index b28180606..d4a8a9b18 100644 --- a/Cantera/src/thermo/VPStandardStateTP.cpp +++ b/Cantera/src/thermo/VPStandardStateTP.cpp @@ -406,9 +406,9 @@ namespace Cantera { void - VPStandardStateTP::createInstallPDSS(int k, const XML_Node& s, + VPStandardStateTP::createInstallPDSS(size_t k, const XML_Node& s, const XML_Node * phaseNode_ptr) { - if ((int) m_PDSS_storage.size() < k+1) { + if (m_PDSS_storage.size() < k+1) { m_PDSS_storage.resize(k+1,0); } if (m_PDSS_storage[k] != 0) { @@ -418,12 +418,12 @@ namespace Cantera { } PDSS * - VPStandardStateTP::providePDSS(int k) { + VPStandardStateTP::providePDSS(size_t k) { return m_PDSS_storage[k]; } const PDSS * - VPStandardStateTP::providePDSS(int k) const { + VPStandardStateTP::providePDSS(size_t k) const { return m_PDSS_storage[k]; } diff --git a/Cantera/src/thermo/VPStandardStateTP.h b/Cantera/src/thermo/VPStandardStateTP.h index e8ae51414..ab768bc5e 100644 --- a/Cantera/src/thermo/VPStandardStateTP.h +++ b/Cantera/src/thermo/VPStandardStateTP.h @@ -602,10 +602,10 @@ protected: */ VPSSMgr *provideVPSSMgr(); - void createInstallPDSS(int k, const XML_Node& s, const XML_Node * phaseNode_ptr); + void createInstallPDSS(size_t k, const XML_Node& s, const XML_Node * phaseNode_ptr); - PDSS* providePDSS(int k); - const PDSS* providePDSS(int k) const; + PDSS* providePDSS(size_t k); + const PDSS* providePDSS(size_t k) const; private: //! @internal Initialize the internal lengths in this object. diff --git a/Cantera/src/transport/AqueousTransport.cpp b/Cantera/src/transport/AqueousTransport.cpp index 2c85bd3a9..7c5b2e82f 100644 --- a/Cantera/src/transport/AqueousTransport.cpp +++ b/Cantera/src/transport/AqueousTransport.cpp @@ -587,10 +587,10 @@ namespace Cantera { * This function returns a Transport data object for a given species. * */ - struct LiquidTransportData AqueousTransport:: + LiquidTransportData AqueousTransport:: getLiquidTransportData(int kSpecies) { - struct LiquidTransportData td; + LiquidTransportData td; td.speciesName = m_thermo->speciesName(kSpecies); /* NEEDS WORK diff --git a/Cantera/src/transport/AqueousTransport.h b/Cantera/src/transport/AqueousTransport.h index e75bc704e..73e64154d 100644 --- a/Cantera/src/transport/AqueousTransport.h +++ b/Cantera/src/transport/AqueousTransport.h @@ -158,7 +158,7 @@ namespace Cantera { * * Controlling update boolean = m_viscwt_ok */ - virtual void getSpeciesViscosities(doublereal* visc) + virtual void getSpeciesViscosities(doublereal* const visc) { updateViscosity_T(); copy(m_visc.begin(), m_visc.end(), visc); } virtual void getThermalDiffCoeffs(doublereal* const dt); @@ -314,7 +314,7 @@ namespace Cantera { * * @param k Species number to obtain the properties about. */ - struct LiquidTransportData getLiquidTransportData(int k); + class LiquidTransportData getLiquidTransportData(int k); //! Solve the stefan_maxell equations for the diffusive fluxes. diff --git a/Cantera/src/transport/MixTransport.h b/Cantera/src/transport/MixTransport.h index ea4378156..4e8bdd742 100644 --- a/Cantera/src/transport/MixTransport.h +++ b/Cantera/src/transport/MixTransport.h @@ -45,7 +45,7 @@ namespace Cantera { */ virtual doublereal viscosity(); - virtual void getSpeciesViscosities(doublereal* visc) + virtual void getSpeciesViscosities(doublereal* const visc) { update_T(); updateViscosity_T(); copy(m_visc.begin(), m_visc.end(), visc); } //! Return the thermal diffusion coefficients