From 9439615c719a21e91c16ce6c1d170688696f6fb3 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Tue, 17 Jan 2012 04:12:27 +0000 Subject: [PATCH] Fixed signed/unsigned comparison warnings in Thermo --- Cantera/src/base/ctml.cpp | 3 +- Cantera/src/thermo/AdsorbateThermo.h | 10 +- Cantera/src/thermo/ConstDensityThermo.cpp | 7 +- Cantera/src/thermo/Constituents.cpp | 2 +- Cantera/src/thermo/DebyeHuckel.cpp | 124 +++++++++--------- Cantera/src/thermo/Elements.h | 2 +- Cantera/src/thermo/GeneralSpeciesThermo.cpp | 8 +- Cantera/src/thermo/GibbsExcessVPSSTP.cpp | 6 +- Cantera/src/thermo/HMWSoln.cpp | 71 +++++----- Cantera/src/thermo/HMWSoln_input.cpp | 15 +-- Cantera/src/thermo/IdealGasPhase.cpp | 31 +++-- Cantera/src/thermo/IdealMolalSoln.cpp | 43 +++--- Cantera/src/thermo/IdealSolidSolnPhase.cpp | 35 +++-- Cantera/src/thermo/IdealSolnGasVPSS.cpp | 17 ++- Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp | 23 ++-- Cantera/src/thermo/IonsFromNeutralVPSSTP.h | 2 +- Cantera/src/thermo/LatticePhase.cpp | 11 +- Cantera/src/thermo/MargulesVPSSTP.cpp | 26 ++-- Cantera/src/thermo/MargulesVPSSTP.h | 4 +- Cantera/src/thermo/MolalityVPSSTP.cpp | 20 +-- Cantera/src/thermo/MolalityVPSSTP.h | 2 +- Cantera/src/thermo/Mu0Poly.cpp | 18 +-- Cantera/src/thermo/Mu0Poly.h | 2 +- Cantera/src/thermo/Phase.cpp | 2 +- Cantera/src/thermo/PseudoBinaryVPSSTP.cpp | 4 +- Cantera/src/thermo/PureFluidPhase.cpp | 2 +- Cantera/src/thermo/SimpleThermo.h | 2 +- Cantera/src/thermo/SurfPhase.cpp | 25 ++-- Cantera/src/thermo/ThermoPhase.cpp | 22 ++-- Cantera/src/thermo/ThermoPhase.h | 2 +- Cantera/src/thermo/VPSSMgr.cpp | 14 +- Cantera/src/thermo/VPSSMgr_ConstVol.cpp | 4 +- Cantera/src/thermo/VPSSMgr_General.cpp | 10 +- Cantera/src/thermo/VPSSMgr_IdealGas.cpp | 4 +- Cantera/src/thermo/VPSSMgr_Water_ConstVol.cpp | 8 +- Cantera/src/thermo/VPSSMgr_Water_HKFT.cpp | 10 +- Cantera/src/thermo/VPStandardStateTP.cpp | 12 +- Cantera/src/thermo/WaterSSTP.cpp | 2 +- 38 files changed, 292 insertions(+), 313 deletions(-) diff --git a/Cantera/src/base/ctml.cpp b/Cantera/src/base/ctml.cpp index 9753e3761..a49c08d86 100644 --- a/Cantera/src/base/ctml.cpp +++ b/Cantera/src/base/ctml.cpp @@ -167,9 +167,8 @@ namespace ctml { const int* const vals, const std::string units, const std::string type, const doublereal minval, const doublereal maxval) { std::string fmt = "%8d"; - int i; std::string v = ""; - for (i = 0; i < n; i++) { + for (size_t i = 0; i < n; i++) { v += int2str(vals[i],fmt); if (i == n-1) v += "\n"; else if (i > 0 && (i+1) % 3 == 0) v += ",\n"; diff --git a/Cantera/src/thermo/AdsorbateThermo.h b/Cantera/src/thermo/AdsorbateThermo.h index eeeb1dce2..2e9464dd7 100644 --- a/Cantera/src/thermo/AdsorbateThermo.h +++ b/Cantera/src/thermo/AdsorbateThermo.h @@ -84,7 +84,7 @@ namespace Cantera { doublereal refPressure) { m_be = c[1]; m_nFreqs = int(c[0]); - for (int n = 0; n < m_nFreqs; n++) { + for (size_t n = 0; n < m_nFreqs; n++) { m_freq[n] = c[n+2]; } m_index = index; @@ -179,7 +179,7 @@ namespace Cantera { //! species index int m_index; // - int m_nFreqs; + size_t m_nFreqs; //! array of vib frequencies array_fp m_freq; // @@ -189,8 +189,7 @@ namespace Cantera { doublereal _energy_RT(double T) const { doublereal x, hnu_kt, hnu, sum = 0.0; doublereal kt = T*Boltzmann; - int i; - for (i = 0; i < m_nFreqs; i++) { + for (size_t i = 0; i < m_nFreqs; i++) { hnu = Planck * m_freq[i]; hnu_kt = hnu/kt; x = exp(-hnu_kt); @@ -202,8 +201,7 @@ namespace Cantera { doublereal _free_energy_RT(double T) const { doublereal x, hnu_kt, sum = 0.0; doublereal kt = T*Boltzmann; - int i; - for (i = 0; i < m_nFreqs; i++) { + for (size_t i = 0; i < m_nFreqs; i++) { hnu_kt = Planck * m_freq[i] / kt; x = exp(-hnu_kt); sum += log(1.0 - x); diff --git a/Cantera/src/thermo/ConstDensityThermo.cpp b/Cantera/src/thermo/ConstDensityThermo.cpp index 4205c2244..246b9844e 100644 --- a/Cantera/src/thermo/ConstDensityThermo.cpp +++ b/Cantera/src/thermo/ConstDensityThermo.cpp @@ -95,7 +95,7 @@ namespace Cantera { } void ConstDensityThermo::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; } } @@ -114,7 +114,7 @@ namespace Cantera { doublereal xx; doublereal rt = temperature() * GasConstant; const array_fp& g_RT = gibbs_RT(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { xx = fmaxx(SmallNumber, moleFraction(k)); mu[k] = rt*(g_RT[k] + log(xx)) + vdp; } @@ -154,8 +154,7 @@ namespace Cantera { m_spthermo->update(tnow, &m_cp0_R[0], &m_h0_RT[0], &m_s0_R[0]); m_tlast = tnow; - int k; - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_g0_RT[k] = m_h0_RT[k] - m_s0_R[k]; } m_tlast = tnow; diff --git a/Cantera/src/thermo/Constituents.cpp b/Cantera/src/thermo/Constituents.cpp index b16dbe336..ec2619643 100644 --- a/Cantera/src/thermo/Constituents.cpp +++ b/Cantera/src/thermo/Constituents.cpp @@ -307,7 +307,7 @@ namespace Cantera { m_speciesComp.resize(m_kk*m_mm, 0.0); for (size_t k = 0; k < m_kk; k++) { size_t m_old = m_mm - 1; - for (int m = 0; m < m_old; m++) { + for (size_t m = 0; m < m_old; m++) { m_speciesComp[k * m_mm + m] = old[k * (m_old) + m]; } m_speciesComp[k * (m_mm) + (m_mm-1)] = 0.0; diff --git a/Cantera/src/thermo/DebyeHuckel.cpp b/Cantera/src/thermo/DebyeHuckel.cpp index e18254825..899af3d5d 100644 --- a/Cantera/src/thermo/DebyeHuckel.cpp +++ b/Cantera/src/thermo/DebyeHuckel.cpp @@ -370,7 +370,7 @@ namespace Cantera { double *x = &m_tmpV[0]; getMoleFractions(x); doublereal vtotal = 0.0; - for (int i = 0; i < m_kk; i++) { + for (size_t i = 0; i < m_kk; i++) { vtotal += vbar[i] * x[i]; } doublereal dd = meanMolecularWeight() / vtotal; @@ -482,7 +482,7 @@ namespace Cantera { void DebyeHuckel::getActivityConcentrations(doublereal* c) const { double c_solvent = standardConcentration(); getActivities(c); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { c[k] *= c_solvent; } } @@ -566,7 +566,7 @@ namespace Cantera { * This requires an update due to mole fractions */ s_update_lnMolalityActCoeff(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (k != m_indexSolvent) { ac[k] = m_molalities[k] * exp(m_lnActCoeffMolal[k]); } @@ -593,7 +593,7 @@ namespace Cantera { A_Debye_TP(-1.0, -1.0); s_update_lnMolalityActCoeff(); copy(m_lnActCoeffMolal.begin(), m_lnActCoeffMolal.end(), acMolality); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { acMolality[k] = exp(acMolality[k]); } } @@ -636,7 +636,7 @@ namespace Cantera { */ doublereal RT = GasConstant * temperature(); double xmolSolvent = moleFraction(m_indexSolvent); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (m_indexSolvent != k) { xx = MAX(m_molalities[k], xxSmall); mu[k] += RT * (log(xx) + m_lnActCoeffMolal[k]); @@ -670,7 +670,7 @@ namespace Cantera { */ double T = temperature(); double RT = GasConstant * T; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { hbar[k] *= RT; } /* @@ -687,7 +687,7 @@ namespace Cantera { s_update_lnMolalityActCoeff(); s_update_dlnMolalityActCoeff_dT(); double RTT = GasConstant * T * T; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { hbar[k] -= RTT * m_dlnActCoeffMolaldT[k]; } } @@ -724,7 +724,6 @@ namespace Cantera { */ void DebyeHuckel:: getPartialMolarEntropies(doublereal* sbar) const { - int k; /* * Get the standard state entropies at the temperature * and pressure of the solution. @@ -734,7 +733,7 @@ namespace Cantera { * Dimensionalize the entropies */ doublereal R = GasConstant; - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { sbar[k] *= R; } /* @@ -747,7 +746,7 @@ namespace Cantera { * term out front of the log activity term */ doublereal mm; - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (k != m_indexSolvent) { mm = fmaxx(SmallNumber, m_molalities[k]); sbar[k] -= R * (log(mm) + m_lnActCoeffMolal[k]); @@ -765,7 +764,7 @@ namespace Cantera { if (dAdT != 0.0) { s_update_dlnMolalityActCoeff_dT(); double RT = R * temperature(); - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { sbar[k] -= RT * m_dlnActCoeffMolaldT[k]; } } @@ -799,7 +798,7 @@ namespace Cantera { s_update_dlnMolalityActCoeff_dP(); double T = temperature(); double RT = GasConstant * T; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { vbar[k] += RT * m_dlnActCoeffMolaldP[k]; } } @@ -820,7 +819,7 @@ namespace Cantera { */ getCp_R(cpbar); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { cpbar[k] *= GasConstant; } @@ -841,7 +840,7 @@ namespace Cantera { double T = temperature(); double RT = GasConstant * T; double RTT = RT * T; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { cpbar[k] -= (2.0 * RT * m_dlnActCoeffMolaldT[k] + RTT * m_d2lnActCoeffMolaldT2[k]); } @@ -1090,7 +1089,6 @@ namespace Cantera { */ void DebyeHuckel:: initThermoXML(XML_Node& phaseNode, std::string id) { - int k; std::string stemp; /* * Find the Thermo XML node @@ -1147,7 +1145,7 @@ namespace Cantera { } solventName = nameSolventa[0]; } - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { std::string sname = speciesName(k); if (solventName == sname) { m_indexSolvent = k; @@ -1215,7 +1213,7 @@ namespace Cantera { &phaseNode.root()); const vector&sss = speciesNames(); - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { XML_Node* s = speciesDB->findByAttr("name", sss[k]); if (!s) { throw CanteraError("DebyeHuckel::initThermoXML", @@ -1352,7 +1350,7 @@ namespace Cantera { /* * Set B_dot parameters for charged species */ - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { double z_k = charge(k); if (fabs (z_k) > 0.0001) { m_B_Dot[k] = bdot_common; @@ -1398,7 +1396,7 @@ namespace Cantera { if (irNode.hasAttrib("default")) { std::string ads = irNode.attrib("default"); double ad = fpValue(ads); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_Aionic[k] = ad * Afactor; } } @@ -1464,7 +1462,7 @@ namespace Cantera { * regular charge. */ m_speciesCharge_Stoich.resize(m_kk, 0.0); - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_speciesCharge_Stoich[k] = m_speciesCharge[k]; } /* @@ -1475,7 +1473,7 @@ namespace Cantera { std::vector xspecies= speciesData(); std::string kname, jname; size_t jj = xspecies.size(); - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { size_t jmap = -1; kname = speciesName(k); for (size_t j = 0; j < jj; j++) { @@ -1521,7 +1519,7 @@ namespace Cantera { * First fill in default values. Everthing is either * a charge species, a nonpolar neutral, or the solvent. */ - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (fabs(m_speciesCharge[k]) > 0.0001) { m_electrolyteSpeciesType[k] = cEST_chargedSpecies; if (fabs(m_speciesCharge_Stoich[k] - m_speciesCharge[k]) @@ -1543,7 +1541,7 @@ namespace Cantera { std::vector xspecies= speciesData(); const XML_Node *spPtr = 0; std::string kname; - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { kname = speciesName(k); spPtr = xspecies[k]; if (!spPtr) { @@ -1884,7 +1882,7 @@ namespace Cantera { calcMolalities(); double oc = _osmoticCoeffHelgesonFixedForm(); double sum = 0.0; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (k != m_indexSolvent) { sum += MAX(m_molalities[k], 0.0); } @@ -1923,7 +1921,7 @@ namespace Cantera { * are ignorred in calculating the ionic strength. */ m_IionicMolality = 0.0; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { z_k = m_speciesCharge[k]; m_IionicMolality += m_molalities[k] * z_k * z_k; } @@ -1937,7 +1935,7 @@ namespace Cantera { * Calculate the stoichiometric ionic charge */ m_IionicMolalityStoich = 0.0; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { z_k = m_speciesCharge[k]; zs_k1 = m_speciesCharge_Stoich[k]; if (z_k == zs_k1) { @@ -1983,7 +1981,7 @@ namespace Cantera { double y, yp1, sigma; switch (m_formDH) { case DHFORM_DILUTE_LIMIT: - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { z_k = m_speciesCharge[k]; m_lnActCoeffMolal[k] = - z_k * z_k * numTmp; } @@ -1995,7 +1993,7 @@ namespace Cantera { case DHFORM_BDOT_AK: ac_nonPolar = _nonpolarActCoeff(m_IionicMolality); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { est = m_electrolyteSpeciesType[k]; if (est == cEST_nonpolarNeutral) { m_lnActCoeffMolal[k] = log(ac_nonPolar); @@ -2012,7 +2010,7 @@ namespace Cantera { * sqrt(m_IionicMolality); tmp = 0.0; if (denomTmp > 0.0) { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (k != m_indexSolvent || m_Aionic[k] != 0.0) { y = denomTmp * m_Aionic[k]; yp1 = y + 1.0; @@ -2024,7 +2022,7 @@ namespace Cantera { } lnActivitySolvent += coeff * tmp; tmp = 0.0; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { z_k = m_speciesCharge[k]; if ((k != m_indexSolvent) && (z_k != 0.0)) { tmp += m_B_Dot[k] * m_molalities[k]; @@ -2044,7 +2042,7 @@ namespace Cantera { case DHFORM_BDOT_ACOMMON: denomTmp *= m_Aionic[0]; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { z_k = m_speciesCharge[k]; m_lnActCoeffMolal[k] = - z_k * z_k * numTmp / (1.0 + denomTmp) @@ -2062,7 +2060,7 @@ namespace Cantera { 2.0 /3.0 * m_A_Debye * m_Mnaught * m_IionicMolality * sqrt(m_IionicMolality) * sigma; tmp = 0.0; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { z_k = m_speciesCharge[k]; if ((k != m_indexSolvent) && (z_k != 0.0)) { tmp += m_B_Dot[k] * m_molalities[k]; @@ -2079,12 +2077,12 @@ namespace Cantera { lnActivitySolvent = (xmolSolvent - 1.0)/xmolSolvent; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (k != m_indexSolvent) { z_k = m_speciesCharge[k]; m_lnActCoeffMolal[k] = - z_k * z_k * numTmp / (1.0 + denomTmp); - for (int j = 0; j < m_kk; j++) { + for (size_t j = 0; j < m_kk; j++) { double beta = m_Beta_ij.value(k, j); #ifdef DEBUG_HKM_NOT if (beta != 0.0) { @@ -2108,8 +2106,8 @@ namespace Cantera { 2.0 /3.0 * m_A_Debye * m_Mnaught * m_IionicMolality * sqrt(m_IionicMolality) * sigma; tmp = 0.0; - for (int k = 0; k < m_kk; k++) { - for (int j = 0; j < m_kk; j++) { + for (size_t k = 0; k < m_kk; k++) { + for (size_t j = 0; j < m_kk; j++) { tmp += m_Beta_ij.value(k, j) * m_molalities[k] * m_molalities[j]; } @@ -2122,7 +2120,7 @@ namespace Cantera { denomTmp *= m_Aionic[0]; numTmp = m_A_Debye * sqrt(m_IionicMolality); tmpLn = log(1.0 + denomTmp); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (k != m_indexSolvent) { z_k = m_speciesCharge[k]; m_lnActCoeffMolal[k] = @@ -2130,7 +2128,7 @@ namespace Cantera { m_lnActCoeffMolal[k] += - 2.0 * z_k * z_k * m_A_Debye * tmpLn / (3.0 * m_B_Debye * m_Aionic[0]); - for (int j = 0; j < m_kk; j++) { + for (size_t j = 0; j < m_kk; j++) { m_lnActCoeffMolal[k] += 2.0 * m_molalities[j] * m_Beta_ij.value(k, j); } @@ -2142,8 +2140,8 @@ namespace Cantera { 2.0 /3.0 * m_A_Debye * m_Mnaught * m_IionicMolality * sqrt(m_IionicMolality) * sigma; tmp = 0.0; - for (int k = 0; k < m_kk; k++) { - for (int j = 0; j < m_kk; j++) { + for (size_t k = 0; k < m_kk; k++) { + for (size_t j = 0; j < m_kk; j++) { tmp += m_Beta_ij.value(k, j) * m_molalities[k] * m_molalities[j]; } @@ -2180,11 +2178,10 @@ namespace Cantera { */ void DebyeHuckel::s_update_dlnMolalityActCoeff_dT() const { double z_k, coeff, tmp, y, yp1, sigma, tmpLn; - int k; // First we store dAdT explicitly here double dAdT = dA_DebyedT_TP(); if (dAdT == 0.0) { - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_dlnActCoeffMolaldT[k] = 0.0; } return; @@ -2204,7 +2201,7 @@ namespace Cantera { switch (m_formDH) { case DHFORM_DILUTE_LIMIT: - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { m_dlnActCoeffMolaldT[k] = m_lnActCoeffMolal[k] * dAdT / m_A_Debye; } @@ -2214,7 +2211,7 @@ namespace Cantera { break; case DHFORM_BDOT_AK: - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { z_k = m_speciesCharge[k]; m_dlnActCoeffMolaldT[k] = - z_k * z_k * numdAdTTmp / (1.0 + denomTmp * m_Aionic[k]); @@ -2225,7 +2222,7 @@ namespace Cantera { coeff = 2.0 / 3.0 * dAdT * m_Mnaught * sqrtI; tmp = 0.0; if (denomTmp > 0.0) { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { y = denomTmp * m_Aionic[k]; yp1 = y + 1.0; sigma = 3.0 / (y * y * y) * (yp1 - 1.0/yp1 - 2.0*log(yp1)); @@ -2238,7 +2235,7 @@ namespace Cantera { case DHFORM_BDOT_ACOMMON: denomTmp *= m_Aionic[0]; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { z_k = m_speciesCharge[k]; m_dlnActCoeffMolaldT[k] = - z_k * z_k * numdAdTTmp / (1.0 + denomTmp); @@ -2257,7 +2254,7 @@ namespace Cantera { case DHFORM_BETAIJ: denomTmp *= m_Aionic[0]; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (k != m_indexSolvent) { z_k = m_speciesCharge[k]; m_dlnActCoeffMolaldT[k] = @@ -2279,7 +2276,7 @@ namespace Cantera { case DHFORM_PITZER_BETAIJ: denomTmp *= m_Aionic[0]; tmpLn = log(1.0 + denomTmp); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (k != m_indexSolvent) { z_k = m_speciesCharge[k]; m_dlnActCoeffMolaldT[k] = @@ -2320,11 +2317,10 @@ namespace Cantera { */ void DebyeHuckel::s_update_d2lnMolalityActCoeff_dT2() const { double z_k, coeff, tmp, y, yp1, sigma, tmpLn; - int k; double dAdT = dA_DebyedT_TP(); double d2AdT2 = d2A_DebyedT2_TP(); if (d2AdT2 == 0.0 && dAdT == 0.0) { - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_d2lnActCoeffMolaldT2[k] = 0.0; } return; @@ -2344,14 +2340,14 @@ namespace Cantera { switch (m_formDH) { case DHFORM_DILUTE_LIMIT: - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_d2lnActCoeffMolaldT2[k] = m_lnActCoeffMolal[k] * d2AdT2 / m_A_Debye; } break; case DHFORM_BDOT_AK: - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { z_k = m_speciesCharge[k]; m_d2lnActCoeffMolaldT2[k] = - z_k * z_k * numd2AdT2Tmp / (1.0 + denomTmp * m_Aionic[k]); @@ -2362,7 +2358,7 @@ namespace Cantera { coeff = 2.0 / 3.0 * d2AdT2 * m_Mnaught * sqrtI; tmp = 0.0; if (denomTmp > 0.0) { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { y = denomTmp * m_Aionic[k]; yp1 = y + 1.0; sigma = 3.0 / (y * y * y) * (yp1 - 1.0/yp1 - 2.0*log(yp1)); @@ -2375,7 +2371,7 @@ namespace Cantera { case DHFORM_BDOT_ACOMMON: denomTmp *= m_Aionic[0]; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { z_k = m_speciesCharge[k]; m_d2lnActCoeffMolaldT2[k] = - z_k * z_k * numd2AdT2Tmp / (1.0 + denomTmp); @@ -2394,7 +2390,7 @@ namespace Cantera { case DHFORM_BETAIJ: denomTmp *= m_Aionic[0]; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (k != m_indexSolvent) { z_k = m_speciesCharge[k]; m_d2lnActCoeffMolaldT2[k] = @@ -2416,7 +2412,7 @@ namespace Cantera { case DHFORM_PITZER_BETAIJ: denomTmp *= m_Aionic[0]; tmpLn = log(1.0 + denomTmp); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (k != m_indexSolvent) { z_k = m_speciesCharge[k]; m_d2lnActCoeffMolaldT2[k] = @@ -2455,10 +2451,10 @@ namespace Cantera { */ void DebyeHuckel::s_update_dlnMolalityActCoeff_dP() const { double z_k, coeff, tmp, y, yp1, sigma, tmpLn; - int k, est; + int est; double dAdP = dA_DebyedP_TP(); if (dAdP == 0.0) { - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_dlnActCoeffMolaldP[k] = 0.0; } return; @@ -2477,14 +2473,14 @@ namespace Cantera { switch (m_formDH) { case DHFORM_DILUTE_LIMIT: - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_dlnActCoeffMolaldP[k] = m_lnActCoeffMolal[k] * dAdP / m_A_Debye; } break; case DHFORM_BDOT_AK: - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { est = m_electrolyteSpeciesType[k]; if (est == cEST_nonpolarNeutral) { m_lnActCoeffMolal[k] = 0.0; @@ -2500,7 +2496,7 @@ namespace Cantera { coeff = 2.0 / 3.0 * dAdP * m_Mnaught * sqrtI; tmp = 0.0; if (denomTmp > 0.0) { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { y = denomTmp * m_Aionic[k]; yp1 = y + 1.0; sigma = 3.0 / (y * y * y) * (yp1 - 1.0/yp1 - 2.0*log(yp1)); @@ -2513,7 +2509,7 @@ namespace Cantera { case DHFORM_BDOT_ACOMMON: denomTmp *= m_Aionic[0]; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { z_k = m_speciesCharge[k]; m_dlnActCoeffMolaldP[k] = - z_k * z_k * numdAdPTmp / (1.0 + denomTmp); @@ -2532,7 +2528,7 @@ namespace Cantera { case DHFORM_BETAIJ: denomTmp *= m_Aionic[0]; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (k != m_indexSolvent) { z_k = m_speciesCharge[k]; m_dlnActCoeffMolaldP[k] = @@ -2554,7 +2550,7 @@ namespace Cantera { case DHFORM_PITZER_BETAIJ: denomTmp *= m_Aionic[0]; tmpLn = log(1.0 + denomTmp); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (k != m_indexSolvent) { z_k = m_speciesCharge[k]; m_dlnActCoeffMolaldP[k] = diff --git a/Cantera/src/thermo/Elements.h b/Cantera/src/thermo/Elements.h index 13cb5ab57..70d6671e3 100644 --- a/Cantera/src/thermo/Elements.h +++ b/Cantera/src/thermo/Elements.h @@ -244,7 +244,7 @@ namespace Cantera { /******************************************************************/ //! Number of elements. - int m_mm; + size_t m_mm; /* m_elementsFrozen: */ /** boolean indicating completion of object diff --git a/Cantera/src/thermo/GeneralSpeciesThermo.cpp b/Cantera/src/thermo/GeneralSpeciesThermo.cpp index 65d852a8d..c94a7687f 100644 --- a/Cantera/src/thermo/GeneralSpeciesThermo.cpp +++ b/Cantera/src/thermo/GeneralSpeciesThermo.cpp @@ -45,7 +45,7 @@ namespace Cantera { m_kk(b.m_kk) { m_sp.resize(m_kk, 0); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { SpeciesThermoInterpType *bk = b.m_sp[k]; if (bk) { m_sp[k] = bk->duplMyselfAsSpeciesThermoInterpType(); @@ -59,7 +59,7 @@ namespace Cantera { m_tlow_max = b.m_tlow_max; m_thigh_min = b.m_thigh_min; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { SpeciesThermoInterpType *sp = m_sp[k]; if (sp) { delete sp; @@ -68,7 +68,7 @@ namespace Cantera { } m_kk = b.m_kk; m_sp.resize(m_kk, 0); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { SpeciesThermoInterpType *bk = b.m_sp[k]; if (bk) { m_sp[k] = bk->duplMyselfAsSpeciesThermoInterpType(); @@ -79,7 +79,7 @@ namespace Cantera { } GeneralSpeciesThermo::~GeneralSpeciesThermo() { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { SpeciesThermoInterpType *sp = m_sp[k]; if (sp) { delete sp; diff --git a/Cantera/src/thermo/GibbsExcessVPSSTP.cpp b/Cantera/src/thermo/GibbsExcessVPSSTP.cpp index 7e86283de..dae5e3c2a 100644 --- a/Cantera/src/thermo/GibbsExcessVPSSTP.cpp +++ b/Cantera/src/thermo/GibbsExcessVPSSTP.cpp @@ -158,7 +158,7 @@ namespace Cantera { getPartialMolarVolumes(vbar); doublereal vtotal = 0.0; - for (int i = 0; i < m_kk; i++) { + for (size_t i = 0; i < m_kk; i++) { vtotal += vbar[i] * moleFractions_[i]; } doublereal dd = meanMolecularWeight() / vtotal; @@ -204,7 +204,7 @@ namespace Cantera { void GibbsExcessVPSSTP::getActivities(doublereal* ac) const { getActivityCoefficients(ac); getMoleFractions(DATA_PTR(moleFractions_)); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { ac[k] *= moleFractions_[k]; } } @@ -213,7 +213,7 @@ namespace Cantera { void GibbsExcessVPSSTP::getElectrochemPotentials(doublereal* mu) const { getChemPotentials(mu); double ve = Faraday * electricPotential(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { mu[k] += ve*charge(k); } } diff --git a/Cantera/src/thermo/HMWSoln.cpp b/Cantera/src/thermo/HMWSoln.cpp index e23e1922e..7f1643701 100644 --- a/Cantera/src/thermo/HMWSoln.cpp +++ b/Cantera/src/thermo/HMWSoln.cpp @@ -640,7 +640,7 @@ namespace Cantera { double hbar = mean_X(DATA_PTR(m_tmpV)); getEnthalpy_RT(DATA_PTR(m_gamma_tmp)); double RT = GasConstant * temperature(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_gamma_tmp[k] *= RT; } double h0bar = mean_X(DATA_PTR(m_gamma_tmp)); @@ -657,7 +657,7 @@ namespace Cantera { double xcation = 0.0; int kanion = -1; const double *charge = DATA_PTR(m_speciesCharge); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (charge[k] > 0.0) { if (m_tmpV[k] > xanion) { xanion = m_tmpV[k]; @@ -769,7 +769,7 @@ namespace Cantera { double *x = &m_tmpV[0]; getMoleFractions(x); doublereal vtotal = 0.0; - for (int i = 0; i < m_kk; i++) { + for (size_t i = 0; i < m_kk; i++) { vtotal += vbar[i] * x[i]; } doublereal dd = meanMolecularWeight() / vtotal; @@ -919,7 +919,7 @@ namespace Cantera { c[0] *= cs_solvent; if (m_kk > 1) { double cs_solute = standardConcentration(1); - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { c[k] *= cs_solute; } } @@ -1015,7 +1015,7 @@ namespace Cantera { /* * Now calculate the array of activities. */ - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (k != m_indexSolvent) { ac[k] = m_molalities[k] * exp(m_lnActCoeffMolal_Scaled[k]); } @@ -1046,7 +1046,7 @@ namespace Cantera { A_Debye_TP(-1.0, -1.0); s_update_lnMolalityActCoeff(); std::copy(m_lnActCoeffMolal_Unscaled.begin(), m_lnActCoeffMolal_Unscaled.end(), acMolality); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { acMolality[k] = exp(acMolality[k]); } } @@ -1089,7 +1089,7 @@ namespace Cantera { */ doublereal RT = GasConstant * temperature(); double xmolSolvent = moleFraction(m_indexSolvent); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (m_indexSolvent != k) { xx = MAX(m_molalities[k], xxSmall); mu[k] += RT * (log(xx) + m_lnActCoeffMolal_Scaled[k]); @@ -1130,7 +1130,7 @@ namespace Cantera { */ double T = temperature(); double RT = GasConstant * T; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { hbar[k] *= RT; } /* @@ -1140,7 +1140,7 @@ namespace Cantera { s_update_lnMolalityActCoeff(); s_update_dlnMolalityActCoeff_dT(); double RTT = RT * T; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { hbar[k] -= RTT * m_dlnActCoeffMolaldT_Scaled[k]; } } @@ -1176,7 +1176,6 @@ namespace Cantera { */ void HMWSoln:: getPartialMolarEntropies(doublereal* sbar) const { - int k; /* * Get the standard state entropies at the temperature * and pressure of the solution. @@ -1186,7 +1185,7 @@ namespace Cantera { * Dimensionalize the entropies */ doublereal R = GasConstant; - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { sbar[k] *= R; } /* @@ -1199,7 +1198,7 @@ namespace Cantera { * term out front of the log activity term */ doublereal mm; - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (k != m_indexSolvent) { mm = fmaxx(SmallNumber, m_molalities[k]); sbar[k] -= R * (log(mm) + m_lnActCoeffMolal_Scaled[k]); @@ -1215,7 +1214,7 @@ namespace Cantera { */ s_update_dlnMolalityActCoeff_dT(); double RT = R * temperature(); - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { sbar[k] -= RT * m_dlnActCoeffMolaldT_Scaled[k]; } } @@ -1250,7 +1249,7 @@ namespace Cantera { s_update_dlnMolalityActCoeff_dP(); double T = temperature(); double RT = GasConstant * T; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { vbar[k] += RT * m_dlnActCoeffMolaldP_Scaled[k]; } } @@ -1280,7 +1279,7 @@ namespace Cantera { */ getCp_R(cpbar); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { cpbar[k] *= GasConstant; } /* @@ -1293,7 +1292,7 @@ namespace Cantera { double T = temperature(); double RT = GasConstant * T; double RTT = RT * T; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { cpbar[k] -= (2.0 * RT * m_dlnActCoeffMolaldT_Scaled[k] + RTT * m_d2lnActCoeffMolaldT2_Scaled[k]); } @@ -1804,7 +1803,7 @@ namespace Cantera { * Pitzer formulation. */ m_IionicMolalityStoich = 0.0; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { double z_k = m_speciesCharge[k]; double zs_k1 = m_speciesCharge_Stoich[k]; if (z_k == zs_k1) { @@ -1838,7 +1837,7 @@ namespace Cantera { double lnActCoeffMolal0 = - log(xx) + (xx - 1.0)/xx; double lnxs = log(xx); - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { CROP_speciesCropped_[k] = 0; m_lnActCoeffMolal_Unscaled[k] += IMS_lnActCoeffMolal_[k]; if (m_lnActCoeffMolal_Unscaled[k] > (CROP_ln_gamma_k_max- 2.5 *lnxs)) { @@ -1878,12 +1877,11 @@ namespace Cantera { * Calculate cropped molalities */ void HMWSoln::calcMolalitiesCropped() const { - int i, j, k; doublereal Imax = 0.0, Itmp; doublereal Iac_max; m_molalitiesAreCropped = false; - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_molalitiesCropped[k] = m_molalities[k]; double charge = m_speciesCharge[k]; Itmp = m_molalities[k] * charge * charge; @@ -1906,13 +1904,13 @@ namespace Cantera { m_molalitiesAreCropped = true; - for (i = 1; i < (m_kk - 1); i++) { + for (size_t i = 1; i < (m_kk - 1); i++) { double charge_i = m_speciesCharge[i]; double abs_charge_i = fabs(charge_i); if (charge_i == 0.0) { continue; } - for (j = (i+1); j < m_kk; j++) { + for (size_t j = (i+1); j < m_kk; j++) { double charge_j = m_speciesCharge[j]; double abs_charge_j = fabs(charge_j); /* @@ -1960,7 +1958,7 @@ namespace Cantera { double anion_contrib_max = -1.0; int cation_contrib_max_i = -1; double cation_contrib_max = -1.0; - for (i = 0; i < m_kk; i++) { + for (size_t i = 0; i < m_kk; i++) { double charge_i = m_speciesCharge[i]; if (charge_i < 0.0) { double anion_contrib = - m_molalitiesCropped[i] * charge_i; @@ -2017,7 +2015,7 @@ namespace Cantera { double p = xmolSolvent + MC_epCut_ + exp(- xmolSolvent/ MC_cpCut_) * poly; double denomInv = 1.0/ (m_Mnaught * p); - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_molalitiesCropped[k] = molF[k] * denomInv ; } @@ -2025,13 +2023,13 @@ namespace Cantera { // Reduce the molalities to enforce this. Note, this algorithm preserves // the charge neutrality of the solution after cropping. Itmp = 0.0; - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { double charge = m_speciesCharge[k]; Itmp += m_molalitiesCropped[k] * charge * charge; } if (Itmp > m_maxIionicStrength) { double ratio = Itmp / m_maxIionicStrength; - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { double charge = m_speciesCharge[k]; if (charge != 0.0) { m_molalitiesCropped[k] *= ratio; @@ -2320,7 +2318,7 @@ namespace Cantera { for (i = 1; i < m_kk; i++) { for (j = 1; j < m_kk; j++) { - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { n = i * m_kk *m_kk + j * m_kk + k ; const double *Psi_coeff = m_Psi_ijk_coeff.ptrColumn(n); switch (m_formPitzerTemp) { @@ -3427,7 +3425,7 @@ namespace Cantera { //double xx = MAX(m_xmolSolventMIN, xmolSolvent); // double lnxs = log(xx); - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { if (CROP_speciesCropped_[k] == 2) { m_dlnActCoeffMolaldT_Unscaled[k] = 0.0; } @@ -4294,7 +4292,7 @@ namespace Cantera { //double xx = MAX(m_xmolSolventMIN, xmolSolvent); //double lnxs = log(xx); - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { if (CROP_speciesCropped_[k] == 2) { m_d2lnActCoeffMolaldT2_Unscaled[k] = 0.0; } @@ -6174,7 +6172,6 @@ namespace Cantera { * gamma_o_molar = gamma_o_molal */ void HMWSoln::s_updateIMS_lnMolalityActCoeff() const { - int k; double tmp; /* * Calculate the molalities. Currently, the molalities @@ -6186,21 +6183,21 @@ namespace Cantera { double xmolSolvent = moleFraction(m_indexSolvent); double xx = MAX(m_xmolSolventMIN, xmolSolvent); if (IMS_typeCutoff_ == 0) { - for (k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { IMS_lnActCoeffMolal_[k]= 0.0; } IMS_lnActCoeffMolal_[m_indexSolvent] = - log(xx) + (xx - 1.0)/xx; return; } else if (IMS_typeCutoff_ == 1) { if (xmolSolvent > 3.0 * IMS_X_o_cutoff_/2.0 ) { - for (k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { IMS_lnActCoeffMolal_[k]= 0.0; } IMS_lnActCoeffMolal_[m_indexSolvent] = - log(xx) + (xx - 1.0)/xx; return; } else if (xmolSolvent < IMS_X_o_cutoff_/2.0) { tmp = log(xx * IMS_gamma_k_min_); - for (k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { IMS_lnActCoeffMolal_[k]= tmp; } IMS_lnActCoeffMolal_[m_indexSolvent] = log(IMS_gamma_o_min_); @@ -6239,7 +6236,7 @@ namespace Cantera { double lngammao =-log(g) - tmp * (1.0-xmolSolvent); tmp = log(xmolSolvent) + lngammak; - for (k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { IMS_lnActCoeffMolal_[k]= tmp; } IMS_lnActCoeffMolal_[m_indexSolvent] = lngammao; @@ -6248,7 +6245,7 @@ namespace Cantera { // Exponentials - trial 2 else if (IMS_typeCutoff_ == 2) { if (xmolSolvent > IMS_X_o_cutoff_) { - for (k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { IMS_lnActCoeffMolal_[k]= 0.0; } IMS_lnActCoeffMolal_[m_indexSolvent] = - log(xx) + (xx - 1.0)/xx; @@ -6275,7 +6272,7 @@ namespace Cantera { double lngammao =-log(g) - tmp * (1.0-xmolSolvent); tmp = log(xx) + lngammak; - for (k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { IMS_lnActCoeffMolal_[k]= tmp; } IMS_lnActCoeffMolal_[m_indexSolvent] = lngammao; @@ -6423,7 +6420,7 @@ namespace Cantera { doublereal d2lnGammaClM_dT2_s2 = s_NBS_CLM_d2lnMolalityActCoeff_dT2(); doublereal d2lnGammaCLM_dT2_s1 = m_d2lnActCoeffMolaldT2_Unscaled[m_indexCLM]; doublereal afac = -1.0 *(d2lnGammaClM_dT2_s2 - d2lnGammaCLM_dT2_s1); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_d2lnActCoeffMolaldT2_Scaled[k] = m_d2lnActCoeffMolaldT2_Unscaled[k] + m_speciesCharge[k] * afac; } } diff --git a/Cantera/src/thermo/HMWSoln_input.cpp b/Cantera/src/thermo/HMWSoln_input.cpp index cb216fba4..982fbf557 100644 --- a/Cantera/src/thermo/HMWSoln_input.cpp +++ b/Cantera/src/thermo/HMWSoln_input.cpp @@ -1259,7 +1259,6 @@ namespace Cantera { */ void HMWSoln:: initThermoXML(XML_Node& phaseNode, std::string id) { - int k; string stemp; /* * Find the Thermo XML node @@ -1296,7 +1295,7 @@ namespace Cantera { /* * Reconcile the solvent name and index. */ - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { string sname = speciesName(k); if (solventName == sname) { setSolvent(k); @@ -1331,7 +1330,7 @@ namespace Cantera { &phaseNode.root()); const vector&sss = speciesNames(); - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { XML_Node* s = speciesDB->findByAttr("name", sss[k]); if (!s) { throw CanteraError("HMWSoln::initThermoXML", @@ -1415,7 +1414,7 @@ namespace Cantera { * The default is that stoich charge is the same as the * regular charge. */ - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_speciesCharge_Stoich[k] = m_speciesCharge[k]; } @@ -1477,7 +1476,7 @@ namespace Cantera { if (irNode.hasAttrib("default")) { string ads = irNode.attrib("default"); double ad = fpValue(ads); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_Aionic[k] = ad * Afactor; } } @@ -1493,7 +1492,7 @@ namespace Cantera { string kname, jname; size_t jj = xspecies.size(); - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { size_t jmap = -1; kname = speciesName(k); for (size_t j = 0; j < jj; j++) { @@ -1580,7 +1579,7 @@ namespace Cantera { * First fill in default values. Everthing is either * a charge species, a nonpolar neutral, or the solvent. */ - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (fabs(m_speciesCharge[k]) > 0.0001) { m_electrolyteSpeciesType[k] = cEST_chargedSpecies; if (fabs(m_speciesCharge_Stoich[k] - m_speciesCharge[k]) @@ -1602,7 +1601,7 @@ namespace Cantera { std::vector xspecies = speciesData(); const XML_Node *spPtr = 0; string kname; - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { kname = speciesName(k); spPtr = xspecies[k]; if (!spPtr) { diff --git a/Cantera/src/thermo/IdealGasPhase.cpp b/Cantera/src/thermo/IdealGasPhase.cpp index 314f286fb..123064872 100644 --- a/Cantera/src/thermo/IdealGasPhase.cpp +++ b/Cantera/src/thermo/IdealGasPhase.cpp @@ -175,7 +175,7 @@ namespace Cantera { * Get the array of non-dimensional activity coefficients */ void IdealGasPhase::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; } } @@ -189,7 +189,7 @@ namespace Cantera { scale(gibbsrt.begin(), gibbsrt.end(), muStar, _RT()); double tmp = log (pressure() /m_spthermo->refPressure()); tmp *= GasConstant * temperature(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { muStar[k] += tmp; // add RT*ln(P/P_0) } } @@ -202,7 +202,7 @@ namespace Cantera { doublereal xx; doublereal rt = temperature() * GasConstant; //const array_fp& g_RT = gibbs_RT_ref(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { xx = fmaxx(SmallNumber, moleFraction(k)); mu[k] += rt*(log(xx)); } @@ -227,7 +227,7 @@ namespace Cantera { doublereal r = GasConstant; scale(_s.begin(), _s.end(), sbar, r); doublereal logp = log(pressure()/m_spthermo->refPressure()); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { doublereal xx = fmaxx(SmallNumber, moleFraction(k)); sbar[k] += r * (- logp - log(xx)); } @@ -240,7 +240,7 @@ namespace Cantera { void IdealGasPhase::getPartialMolarIntEnergies(doublereal* ubar) const { const array_fp& _h = enthalpy_RT_ref(); doublereal rt = GasConstant * temperature(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { ubar[k] = rt * (_h[k] - 1.0); } } @@ -259,7 +259,7 @@ namespace Cantera { */ void IdealGasPhase::getPartialMolarVolumes(doublereal* vbar) const { double vol = 1.0 / molarDensity(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { vbar[k] = vol; } } @@ -285,7 +285,7 @@ namespace Cantera { const array_fp& _s = entropy_R_ref(); copy(_s.begin(), _s.end(), sr); double tmp = log (pressure() /m_spthermo->refPressure()); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { sr[k] -= tmp; } } @@ -298,7 +298,7 @@ namespace Cantera { const array_fp& gibbsrt = gibbs_RT_ref(); copy(gibbsrt.begin(), gibbsrt.end(), grt); double tmp = log (pressure() /m_spthermo->refPressure()); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { grt[k] += tmp; } } @@ -313,7 +313,7 @@ namespace Cantera { scale(gibbsrt.begin(), gibbsrt.end(), gpure, _RT()); double tmp = log (pressure() /m_spthermo->refPressure()); tmp *= _RT(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { gpure[k] += tmp; } } @@ -325,7 +325,7 @@ namespace Cantera { */ void IdealGasPhase::getIntEnergy_RT(doublereal *urt) const { const array_fp& _h = enthalpy_RT_ref(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { urt[k] = _h[k] - 1.0; } } @@ -350,7 +350,7 @@ namespace Cantera { */ void IdealGasPhase::getStandardVolumes(doublereal *vol) const { double tmp = 1.0 / molarDensity(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { vol[k] = tmp; } } @@ -405,7 +405,7 @@ namespace Cantera { */ void IdealGasPhase::getIntEnergy_RT_ref(doublereal *urt) const { const array_fp& _h = enthalpy_RT_ref(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { urt[k] = _h[k] - 1.0; } } @@ -422,7 +422,7 @@ namespace Cantera { void IdealGasPhase::getStandardVolumes_ref(doublereal *vol) const { doublereal tmp = _RT() / m_p0; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { vol[k] = tmp; } } @@ -468,7 +468,7 @@ namespace Cantera { * by the elemental potential method. */ doublereal pres = 0.0; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { tmp = -grt[k] + mu_RT[k]; if (tmp < -600.) { m_pp[k] = 0.0; @@ -508,8 +508,7 @@ namespace Cantera { m_tlast = tnow; // update the species Gibbs functions - int k; - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_g0_RT[k] = m_h0_RT[k] - m_s0_R[k]; } m_logc0 = log(m_p0/(GasConstant * tnow)); diff --git a/Cantera/src/thermo/IdealMolalSoln.cpp b/Cantera/src/thermo/IdealMolalSoln.cpp index 57b91a58f..d268c2659 100644 --- a/Cantera/src/thermo/IdealMolalSoln.cpp +++ b/Cantera/src/thermo/IdealMolalSoln.cpp @@ -291,7 +291,7 @@ namespace Cantera { double *x = &m_tmpV[0]; getMoleFractions(x); doublereal vtotal = 0.0; - for (int i = 0; i < m_kk; i++) { + for (size_t i = 0; i < m_kk; i++) { vtotal += vbar[i] * x[i]; } doublereal dd = meanMolecularWeight() / vtotal; @@ -397,12 +397,12 @@ namespace Cantera { if (m_formGC != 1) { double c_solvent = standardConcentration(); getActivities(c); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { c[k] *= c_solvent; } } else { getActivities(c); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { double c0 = standardConcentration(k); c[k] *= c0; } @@ -502,7 +502,7 @@ namespace Cantera { */ if (IMS_typeCutoff_ == 0) { calcMolalities(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { ac[k] = m_molalities[k]; } double xmolSolvent = moleFraction(m_indexSolvent); @@ -515,7 +515,7 @@ namespace Cantera { /* * Now calculate the array of activities. */ - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { ac[k] = m_molalities[k] * exp(IMS_lnActCoeffMolal_[k]); } double xmolSolvent = moleFraction(m_indexSolvent); @@ -539,7 +539,7 @@ namespace Cantera { void IdealMolalSoln:: getMolalityActivityCoefficients(doublereal* acMolality) const { if (IMS_typeCutoff_ == 0) { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { acMolality[k] = 1.0; } double xmolSolvent = moleFraction(m_indexSolvent); @@ -549,7 +549,7 @@ namespace Cantera { } else { s_updateIMS_lnMolalityActCoeff(); std::copy(IMS_lnActCoeffMolal_.begin(), IMS_lnActCoeffMolal_.end(), acMolality); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { acMolality[k] = exp(acMolality[k]); } } @@ -610,7 +610,7 @@ namespace Cantera { if (IMS_typeCutoff_ == 0 || xmolSolvent > 3.* IMS_X_o_cutoff_/2.0) { - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { xx = fmaxx(m_molalities[k], xxSmall); mu[k] += RT * log(xx); } @@ -630,7 +630,7 @@ namespace Cantera { s_updateIMS_lnMolalityActCoeff(); - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { xx = MAX(m_molalities[k], xxSmall); mu[k] += RT * (log(xx) + IMS_lnActCoeffMolal_[k]); } @@ -649,7 +649,7 @@ namespace Cantera { void IdealMolalSoln::getPartialMolarEnthalpies(doublereal* hbar) const { getEnthalpy_RT(hbar); doublereal RT = _RT(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { hbar[k] *= RT; } } @@ -687,7 +687,7 @@ namespace Cantera { doublereal mm; calcMolalities(); if (IMS_typeCutoff_ == 0) { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (k != m_indexSolvent) { mm = fmaxx(SmallNumber, m_molalities[k]); sbar[k] -= R * log(mm); @@ -706,7 +706,7 @@ namespace Cantera { * term out front of the log activity term */ doublereal mm; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (k != m_indexSolvent) { mm = fmaxx(SmallNumber, m_molalities[k]); sbar[k] -= R * (log(mm) + IMS_lnActCoeffMolal_[k]); @@ -755,7 +755,7 @@ namespace Cantera { */ getCp_R(cpbar); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { cpbar[k] *= GasConstant; } } @@ -1016,7 +1016,7 @@ namespace Cantera { /* * Reconcile the solvent name and index. */ - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { std::string sname = speciesName(k); if (solventName == sname) { m_indexSolvent = k; @@ -1045,7 +1045,7 @@ namespace Cantera { &phaseNode.root()); const std::vector &sss = speciesNames(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { XML_Node* s = speciesDB->findByAttr("name", sss[k]); XML_Node *ss = s->findByName("standardState"); m_speciesMolarVolume[k] = getFloat(*ss, "molarVolume", "toSI"); @@ -1132,7 +1132,6 @@ namespace Cantera { * gamma_o_molar = gamma_o_molal */ void IdealMolalSoln::s_updateIMS_lnMolalityActCoeff() const { - int k; double tmp; /* * Calculate the molalities. Currently, the molalities @@ -1145,21 +1144,21 @@ namespace Cantera { double xx = MAX(m_xmolSolventMIN, xmolSolvent); if (IMS_typeCutoff_ == 0) { - for (k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { IMS_lnActCoeffMolal_[k]= 0.0; } IMS_lnActCoeffMolal_[m_indexSolvent] = - log(xx) + (xx - 1.0)/xx; return; } else if (IMS_typeCutoff_ == 1) { if (xmolSolvent > 3.0 * IMS_X_o_cutoff_/2.0 ) { - for (k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { IMS_lnActCoeffMolal_[k]= 0.0; } IMS_lnActCoeffMolal_[m_indexSolvent] = - log(xx) + (xx - 1.0)/xx; return; } else if (xmolSolvent < IMS_X_o_cutoff_/2.0) { tmp = log(xx * IMS_gamma_k_min_); - for (k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { IMS_lnActCoeffMolal_[k]= tmp; } IMS_lnActCoeffMolal_[m_indexSolvent] = log(IMS_gamma_o_min_); @@ -1199,7 +1198,7 @@ namespace Cantera { double lngammao =-log(g) - tmp * (1.0-xmolSolvent); tmp = log(xmolSolvent) + lngammak; - for (k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { IMS_lnActCoeffMolal_[k]= tmp; } IMS_lnActCoeffMolal_[m_indexSolvent] = lngammao; @@ -1209,7 +1208,7 @@ namespace Cantera { // Exponentials - trial 2 else if (IMS_typeCutoff_ == 2) { if (xmolSolvent > IMS_X_o_cutoff_) { - for (k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { IMS_lnActCoeffMolal_[k]= 0.0; } IMS_lnActCoeffMolal_[m_indexSolvent] = - log(xx) + (xx - 1.0)/xx; @@ -1234,7 +1233,7 @@ namespace Cantera { double lngammao =-log(g) - tmp * (1.0-xmolSolvent); tmp = log(xx) + lngammak; - for (k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { IMS_lnActCoeffMolal_[k]= tmp; } IMS_lnActCoeffMolal_[m_indexSolvent] = lngammao; diff --git a/Cantera/src/thermo/IdealSolidSolnPhase.cpp b/Cantera/src/thermo/IdealSolidSolnPhase.cpp index 3e7a51f6b..b17a07a92 100644 --- a/Cantera/src/thermo/IdealSolidSolnPhase.cpp +++ b/Cantera/src/thermo/IdealSolidSolnPhase.cpp @@ -451,18 +451,18 @@ namespace Cantera { const double mmw = meanMolecularWeight(); switch (m_formGC) { case 0: - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { c[k] = dtmp[k] * mmw; } break; case 1: - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { c[k] = dtmp[k] * mmw / m_speciesMolarVolume[k]; } break; case 2: double atmp = mmw / m_speciesMolarVolume[m_kk-1]; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { c[k] = dtmp[k] * atmp; } break; @@ -593,7 +593,7 @@ namespace Cantera { */ void IdealSolidSolnPhase:: 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; } } @@ -620,7 +620,7 @@ namespace Cantera { doublereal xx; doublereal RT = temperature() * GasConstant; const array_fp& g_RT = gibbs_RT_ref(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { xx = fmaxx(SmallNumber, moleFraction(k)); mu[k] = RT * (g_RT[k] + log(xx)) + delta_p * m_speciesMolarVolume[k]; @@ -650,7 +650,7 @@ namespace Cantera { doublereal delta_pdRT = (m_Pcurrent - m_Pref) / RT; doublereal xx; const array_fp& g_RT = gibbs_RT_ref(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { xx = fmaxx(SmallNumber, moleFraction(k)); mu[k] = (g_RT[k] + log(xx)) + delta_pdRT * m_speciesMolarVolume[k]; @@ -705,7 +705,7 @@ namespace Cantera { const array_fp& _s = entropy_R_ref(); doublereal r = GasConstant; doublereal xx; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { xx = fmaxx(SmallNumber, moleFraction(k)); sbar[k] = r * (_s[k] - log(xx)); } @@ -722,7 +722,7 @@ namespace Cantera { void IdealSolidSolnPhase:: getPartialMolarCp(doublereal* cpbar) const { getCp_R(cpbar); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { cpbar[k] *= GasConstant; } } @@ -768,7 +768,7 @@ namespace Cantera { doublereal RT = _RT(); const doublereal * const gk = DATA_PTR(gibbsrt); doublereal delta_p = (m_Pcurrent - m_Pref); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { gpure[k] = RT * gk[k] + delta_p * m_speciesMolarVolume[k]; } } @@ -794,7 +794,7 @@ namespace Cantera { doublereal RT = _RT(); const doublereal * const gk = DATA_PTR(gibbsrt); doublereal delta_prt = (m_Pcurrent - m_Pref)/ RT; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { grt[k] = gk[k] + delta_prt * m_speciesMolarVolume[k]; } } @@ -819,7 +819,7 @@ namespace Cantera { const array_fp& _h = enthalpy_RT_ref(); doublereal delta_prt = ((m_Pcurrent - m_Pref) / (GasConstant * temperature())); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { hrt[k] = _h[k] + delta_prt * m_speciesMolarVolume[k]; } } @@ -856,7 +856,7 @@ namespace Cantera { void IdealSolidSolnPhase::getIntEnergy_RT(doublereal *urt) const { const array_fp& _h = enthalpy_RT_ref(); doublereal prefrt = m_Pref / (GasConstant * temperature()); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { urt[k] = _h[k] - prefrt * m_speciesMolarVolume[k]; } } @@ -947,7 +947,7 @@ namespace Cantera { void IdealSolidSolnPhase::getIntEnergy_RT_ref(doublereal *urt) const { const array_fp& _h = enthalpy_RT_ref(); doublereal prefrt = m_Pref / (GasConstant * temperature()); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { urt[k] = _h[k] - prefrt * m_speciesMolarVolume[k]; } } @@ -1241,7 +1241,7 @@ namespace Cantera { &phaseNode.root()); const vector&sss = speciesNames(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { XML_Node* s = speciesDB->findByAttr("name", sss[k]); XML_Node *ss = s->findByName("standardState"); m_speciesMolarVolume[k] = getFloat(*ss, "molarVolume", "toSI"); @@ -1305,9 +1305,9 @@ namespace Cantera { // set the pressure and composition to be consistent with // the temperature, doublereal pres = 0.0; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_pp[k] = -grt[k]; - for (int m = 0; m < m_mm; m++) { + for (size_t m = 0; m < m_mm; m++) { m_pp[k] += nAtoms(k,m)*lambda_RT[m]; } m_pp[k] = m_Pref * exp(m_pp[k]); @@ -1366,9 +1366,8 @@ namespace Cantera { DATA_PTR(m_s0_R)); m_tlast = tnow; doublereal rrt = 1.0 / (GasConstant * tnow); - int k; doublereal deltaE; - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { deltaE = rrt * m_pe[k]; m_h0_RT[k] += deltaE; m_g0_RT[k] = m_h0_RT[k] - m_s0_R[k]; diff --git a/Cantera/src/thermo/IdealSolnGasVPSS.cpp b/Cantera/src/thermo/IdealSolnGasVPSS.cpp index 10f617f42..40c927e99 100644 --- a/Cantera/src/thermo/IdealSolnGasVPSS.cpp +++ b/Cantera/src/thermo/IdealSolnGasVPSS.cpp @@ -198,21 +198,20 @@ namespace Cantera { if (m_idealGas) { getConcentrations(c); } else { - int k; const vector_fp& vss = m_VPSS_ptr->standardVolumes(); switch (m_formGC) { case 0: - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { c[k] = moleFraction(k); } break; case 1: - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { c[k] = moleFraction(k) / vss[k]; } break; case 2: - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { c[k] = moleFraction(k) / vss[0]; } break; @@ -302,7 +301,7 @@ namespace Cantera { * Get the array of non-dimensional activity coefficients */ void IdealSolnGasVPSS::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; } } @@ -323,7 +322,7 @@ namespace Cantera { void IdealSolnGasVPSS::getChemPotentials_RT(doublereal* muRT) const{ getChemPotentials(muRT); doublereal invRT = 1.0 / _RT(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { muRT[k] *= invRT; } } @@ -332,7 +331,7 @@ namespace Cantera { getStandardChemPotentials(mu); doublereal xx; doublereal rt = temperature() * GasConstant; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { xx = fmaxx(SmallNumber, moleFraction(k)); mu[k] += rt*(log(xx)); } @@ -349,7 +348,7 @@ namespace Cantera { getEntropy_R(sbar); doublereal r = GasConstant; scale(sbar, sbar+m_kk, sbar, r); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { doublereal xx = fmaxx(SmallNumber, moleFraction(k)); sbar[k] += r * ( - log(xx)); } @@ -404,7 +403,7 @@ namespace Cantera { */ doublereal pres = 0.0; double m_p0 = m_VPSS_ptr->refPressure(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { tmp = -grt[k] + mu_RT[k]; if (tmp < -600.) { m_pp[k] = 0.0; diff --git a/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp b/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp index 1c3eec217..e86a5c3ce 100644 --- a/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp +++ b/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp @@ -425,7 +425,7 @@ namespace Cantera { /* * take the exp of the internally storred coefficients. */ - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { ac[k] = exp(lnActCoeff_Scaled_[k]); } } @@ -532,7 +532,7 @@ namespace Cantera { */ double T = temperature(); double RT = GasConstant * T; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { hbar[k] *= RT; } /* @@ -542,7 +542,7 @@ namespace Cantera { s_update_lnActCoeff(); s_update_dlnActCoeffdT(); double RTT = RT * T; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { hbar[k] -= RTT * dlnActCoeffdT_Scaled_[k]; } } @@ -575,14 +575,14 @@ namespace Cantera { s_update_lnActCoeff(); s_update_dlnActCoeffdT(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { xx = fmaxx(moleFractions_[k], xxSmall); sbar[k] += - lnActCoeff_Scaled_[k] -log(xx) - T * dlnActCoeffdT_Scaled_[k]; } /* * dimensionalize it. */ - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { sbar[k] *= GasConstant; } } @@ -611,7 +611,7 @@ namespace Cantera { s_update_lnActCoeff(); s_update_dlnActCoeff_dlnX(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { dlnActCoeffdlnX[k] = dlnActCoeffdlnX_Scaled_[k]; } } @@ -639,7 +639,7 @@ namespace Cantera { s_update_lnActCoeff(); s_update_dlnActCoeff_dlnN(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { dlnActCoeffdlnN[k] = dlnActCoeffdlnN_Scaled_[k]; } } @@ -686,7 +686,6 @@ namespace Cantera { * @param mf Dump the mole fractions into this vector. */ void IonsFromNeutralVPSSTP::calcIonMoleFractions(doublereal * const mf) const { - int k; doublereal fmij; /* * Download the neutral mole fraction vector into the @@ -700,8 +699,8 @@ namespace Cantera { /* * Use the formula matrix to calculate the relative mole numbers. */ - for (int jNeut = 0; jNeut < numNeutralMoleculeSpecies_; jNeut++) { - for (k = 0; k < m_kk; k++) { + for (size_t jNeut = 0; jNeut < numNeutralMoleculeSpecies_; jNeut++) { + for (size_t k = 0; k < m_kk; k++) { fmij = fm_neutralMolec_ions_[k + jNeut * m_kk]; mf[k] += fmij * NeutralMolecMoleFractions_[jNeut]; } @@ -711,10 +710,10 @@ namespace Cantera { * Normalize the new mole fractions */ doublereal sum = 0.0; - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { sum += mf[k]; } - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { mf[k] /= sum; } diff --git a/Cantera/src/thermo/IonsFromNeutralVPSSTP.h b/Cantera/src/thermo/IonsFromNeutralVPSSTP.h index ea86c85b0..302efb93c 100644 --- a/Cantera/src/thermo/IonsFromNeutralVPSSTP.h +++ b/Cantera/src/thermo/IonsFromNeutralVPSSTP.h @@ -854,7 +854,7 @@ namespace Cantera { //! Number of the species in this ThermoPhase which are passed //! through to the neutralMoleculePhase ThermoPhase - int numPassThroughSpecies_; + size_t numPassThroughSpecies_; public: //! This is a pointer to the neutral Molecule Phase diff --git a/Cantera/src/thermo/LatticePhase.cpp b/Cantera/src/thermo/LatticePhase.cpp index 9cdc93b4d..c9881b8ef 100644 --- a/Cantera/src/thermo/LatticePhase.cpp +++ b/Cantera/src/thermo/LatticePhase.cpp @@ -120,7 +120,7 @@ namespace Cantera { } void LatticePhase::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; } } @@ -139,7 +139,7 @@ namespace Cantera { doublereal xx; doublereal rt = temperature() * GasConstant; const array_fp& g_RT = gibbs_RT_ref(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { xx = fmaxx(SmallNumber, moleFraction(k)); mu[k] = rt*(g_RT[k] + log(xx)) + vdp; } @@ -163,7 +163,7 @@ namespace Cantera { const array_fp& _h = enthalpy_RT_ref(); std::copy(_h.begin(), _h.end(), hrt); doublereal tmp = (pressure() - m_p0) / (molarDensity() * GasConstant * temperature()); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { hrt[k] += tmp; } } @@ -185,7 +185,7 @@ namespace Cantera { void LatticePhase::getStandardVolumes(doublereal* vbar) const { doublereal vv = 1.0/m_molar_density; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { vbar[k] = vv; } } @@ -217,8 +217,7 @@ namespace Cantera { m_spthermo->update(tnow, &m_cp0_R[0], &m_h0_RT[0], &m_s0_R[0]); m_tlast = tnow; - int k; - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_g0_RT[k] = m_h0_RT[k] - m_s0_R[k]; } m_tlast = tnow; diff --git a/Cantera/src/thermo/MargulesVPSSTP.cpp b/Cantera/src/thermo/MargulesVPSSTP.cpp index e052d8091..5c120bd54 100644 --- a/Cantera/src/thermo/MargulesVPSSTP.cpp +++ b/Cantera/src/thermo/MargulesVPSSTP.cpp @@ -359,7 +359,7 @@ namespace Cantera { /* * take the exp of the internally storred coefficients. */ - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { ac[k] = exp(lnActCoeff_Scaled_[k]); } } @@ -373,7 +373,7 @@ namespace Cantera { void MargulesVPSSTP::getElectrochemPotentials(doublereal* mu) const { getChemPotentials(mu); double ve = Faraday * electricPotential(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { mu[k] += ve*charge(k); } } @@ -396,7 +396,7 @@ namespace Cantera { * */ doublereal RT = GasConstant * temperature(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { xx = fmaxx(moleFractions_[k], xxSmall); mu[k] += RT * (log(xx) + lnActCoeff_Scaled_[k]); } @@ -427,7 +427,7 @@ namespace Cantera { */ double T = temperature(); double RT = GasConstant * T; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { hbar[k] *= RT; } /* @@ -437,7 +437,7 @@ namespace Cantera { s_update_lnActCoeff(); s_update_dlnActCoeff_dT(); double RTT = RT * T; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { hbar[k] -= RTT * dlnActCoeffdT_Scaled_[k]; } } @@ -470,14 +470,14 @@ namespace Cantera { s_update_lnActCoeff(); s_update_dlnActCoeff_dT(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { xx = fmaxx(moleFractions_[k], xxSmall); sbar[k] += - lnActCoeff_Scaled_[k] -log(xx) - T * dlnActCoeffdT_Scaled_[k]; } /* * dimensionalize it. */ - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { sbar[k] *= GasConstant; } } @@ -498,7 +498,7 @@ namespace Cantera { */ void MargulesVPSSTP::getPartialMolarVolumes(doublereal* vbar) const { - size_t iA, iB, iK, delAK, delBK; + size_t iA, iB, delAK, delBK; double XA, XB, XK, g0 , g1; double T = temperature(); @@ -510,7 +510,7 @@ namespace Cantera { //cout << "iA = " << speciesName(m_pSpecies_A_ij[0]) << endl; //cout << "iB = " << speciesName(m_pSpecies_B_ij[0]) << endl; - for ( iK = 0; iK < m_kk; iK++ ){ + for (size_t iK = 0; iK < m_kk; iK++) { delAK = 0; delBK = 0; XK = moleFractions_[iK]; @@ -782,7 +782,7 @@ namespace Cantera { void MargulesVPSSTP::getdlnActCoeffdT(doublereal *dlnActCoeffdT) const { s_update_dlnActCoeff_dT(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { dlnActCoeffdT[k] = dlnActCoeffdT_Scaled_[k]; } } @@ -922,19 +922,19 @@ namespace Cantera { void MargulesVPSSTP::getdlnActCoeffdlnN(doublereal *dlnActCoeffdlnN) const { s_update_dlnActCoeff_dlnN(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { dlnActCoeffdlnN[k] = dlnActCoeffdlnN_Scaled_[k]; } } void MargulesVPSSTP::getdlnActCoeffdlnX(doublereal *dlnActCoeffdlnX) const { s_update_dlnActCoeff_dlnX(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { dlnActCoeffdlnX[k] = dlnActCoeffdlnX_Scaled_[k]; } } - void MargulesVPSSTP::resizeNumInteractions(const int num) { + void MargulesVPSSTP::resizeNumInteractions(const size_t num) { numBinaryInteractions_ = num; m_HE_b_ij.resize(num, 0.0); m_HE_c_ij.resize(num, 0.0); diff --git a/Cantera/src/thermo/MargulesVPSSTP.h b/Cantera/src/thermo/MargulesVPSSTP.h index 1a0ef087b..7bfc8fd89 100644 --- a/Cantera/src/thermo/MargulesVPSSTP.h +++ b/Cantera/src/thermo/MargulesVPSSTP.h @@ -747,7 +747,7 @@ namespace Cantera { /*! * @param num Number of binary Margules interaction terms */ - void resizeNumInteractions(const int num); + void resizeNumInteractions(const size_t num); //! Initialize lengths of local variables after all species have @@ -801,7 +801,7 @@ namespace Cantera { //! number of binary interaction expressions - int numBinaryInteractions_; + size_t numBinaryInteractions_; //! Enthalpy term for the binary mole fraction interaction of the //! excess gibbs free energy expression diff --git a/Cantera/src/thermo/MolalityVPSSTP.cpp b/Cantera/src/thermo/MolalityVPSSTP.cpp index 6b87475e9..d44ac1220 100644 --- a/Cantera/src/thermo/MolalityVPSSTP.cpp +++ b/Cantera/src/thermo/MolalityVPSSTP.cpp @@ -155,8 +155,8 @@ namespace Cantera { * of the solvent and the m_Mnaught parameter. * @param k index of the solvent. */ - void MolalityVPSSTP::setSolvent(int k) { - if (k < 0 || k >= m_kk) { + void MolalityVPSSTP::setSolvent(size_t k) { + if (k >= m_kk) { throw CanteraError("MolalityVPSSTP::setSolute ", "bad value"); } @@ -217,7 +217,7 @@ namespace Cantera { xmolSolvent = m_xmolSolventMIN; } double denomInv = 1.0/ (m_Mnaught * xmolSolvent); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_molalities[k] *= denomInv; } } @@ -239,7 +239,7 @@ namespace Cantera { */ void MolalityVPSSTP::getMolalities(doublereal * const molal) const { calcMolalities(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { molal[k] = m_molalities[k]; } } @@ -262,20 +262,20 @@ namespace Cantera { void MolalityVPSSTP::setMolalities(const doublereal * const molal) { double Lsum = 1.0 / m_Mnaught; - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { m_molalities[k] = molal[k]; Lsum += molal[k]; } double tmp = 1.0 / Lsum; m_molalities[m_indexSolvent] = tmp / m_Mnaught; double sum = m_molalities[m_indexSolvent]; - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { m_molalities[k] = tmp * molal[k]; sum += m_molalities[k]; } if (sum != 1.0) { tmp = 1.0 / sum; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_molalities[k] *= tmp; } } @@ -462,7 +462,7 @@ namespace Cantera { if (xmolSolvent < m_xmolSolventMIN) { xmolSolvent = m_xmolSolventMIN; } - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { ac[k] /= xmolSolvent; } } @@ -508,7 +508,7 @@ namespace Cantera { * Then, we calculate the sum of the solvent molalities */ double sum = 0; - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { sum += fmaxx(m_molalities[k], 0.0); } double oc = 1.0; @@ -523,7 +523,7 @@ namespace Cantera { void MolalityVPSSTP::getElectrochemPotentials(doublereal* mu) const { getChemPotentials(mu); double ve = Faraday * electricPotential(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { mu[k] += ve*charge(k); } } diff --git a/Cantera/src/thermo/MolalityVPSSTP.h b/Cantera/src/thermo/MolalityVPSSTP.h index 34a6cb224..699187573 100644 --- a/Cantera/src/thermo/MolalityVPSSTP.h +++ b/Cantera/src/thermo/MolalityVPSSTP.h @@ -289,7 +289,7 @@ namespace Cantera { * * @param k the solvent index number */ - void setSolvent(int k); + void setSolvent(size_t k); /** * Sets the minimum mole fraction in the molality formulation. diff --git a/Cantera/src/thermo/Mu0Poly.cpp b/Cantera/src/thermo/Mu0Poly.cpp index afebb7f77..a44b6f45f 100644 --- a/Cantera/src/thermo/Mu0Poly.cpp +++ b/Cantera/src/thermo/Mu0Poly.cpp @@ -121,9 +121,9 @@ namespace Cantera { void Mu0Poly:: updateProperties(const doublereal* tt, doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const { - int j = m_numIntervals; + size_t j = m_numIntervals; double T = *tt; - for (int i = 0; i < m_numIntervals; i++) { + for (size_t i = 0; i < m_numIntervals; i++) { double T2 = m_t0_int[i+1]; if (T <=T2) { j = i; @@ -162,10 +162,10 @@ namespace Cantera { tlow = m_lowT; thigh = m_highT; pref = m_Pref; - coeffs[0] = m_numIntervals+1; + coeffs[0] = int(m_numIntervals)+1; coeffs[1] = m_H298 * GasConstant; int j = 2; - for (int i = 0; i < m_numIntervals+1; i++) { + for (size_t i = 0; i < m_numIntervals+1; i++) { coeffs[j] = m_t0_int[i]; coeffs[j+1] = m_mu0_R_int[i] * GasConstant; j += 2; @@ -285,16 +285,16 @@ namespace Cantera { */ void Mu0Poly::processCoeffs(const doublereal* coeffs) { - int i, iindex; + size_t i, iindex; double T1, T2; - int nPoints = (int) coeffs[0]; + size_t nPoints = (size_t) coeffs[0]; if (nPoints < 2) { throw CanteraError("Mu0Poly", "nPoints must be >= 2"); } m_numIntervals = nPoints - 1; m_H298 = coeffs[1] / GasConstant; - int iT298 = 0; + size_t iT298 = 0; /* * Resize according to the number of points */ @@ -360,12 +360,12 @@ namespace Cantera { /* * Starting from the interval with T298, we go down */ - if (iT298 > 0) { + if (iT298 != 0) { T2 = m_t0_int[iT298]; mu2 = m_mu0_R_int[iT298]; m_h0_R_int[iT298] = m_H298; m_s0_R_int[iT298] = - (mu2 - m_h0_R_int[iT298]) / T2; - for (i = iT298 - 1; i >= 0; i--) { + for (i = iT298 - 1; i != -1; i--) { T1 = m_t0_int[i]; mu1 = m_mu0_R_int[i]; T2 = m_t0_int[i+1]; diff --git a/Cantera/src/thermo/Mu0Poly.h b/Cantera/src/thermo/Mu0Poly.h index 53c8eb426..91f8347e4 100644 --- a/Cantera/src/thermo/Mu0Poly.h +++ b/Cantera/src/thermo/Mu0Poly.h @@ -211,7 +211,7 @@ namespace Cantera { * approximation. Number of points is one more than the * number of intervals. */ - int m_numIntervals; + size_t m_numIntervals; /** * Value of the enthalpy at T = 298.15. diff --git a/Cantera/src/thermo/Phase.cpp b/Cantera/src/thermo/Phase.cpp index 4b9101aeb..0c4534693 100644 --- a/Cantera/src/thermo/Phase.cpp +++ b/Cantera/src/thermo/Phase.cpp @@ -301,7 +301,7 @@ namespace Cantera { void Phase::getMoleFractionsByName(compositionMap& x) const { x.clear(); size_t kk = nSpecies(); - for (int k = 0; k < kk; k++) { + for (size_t k = 0; k < kk; k++) { x[speciesName(k)] = State::moleFraction(k); } } diff --git a/Cantera/src/thermo/PseudoBinaryVPSSTP.cpp b/Cantera/src/thermo/PseudoBinaryVPSSTP.cpp index b84106d81..dec1be676 100644 --- a/Cantera/src/thermo/PseudoBinaryVPSSTP.cpp +++ b/Cantera/src/thermo/PseudoBinaryVPSSTP.cpp @@ -157,13 +157,13 @@ namespace Cantera { void PseudoBinaryVPSSTP::getElectrochemPotentials(doublereal* mu) const { getChemPotentials(mu); double ve = Faraday * electricPotential(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { mu[k] += ve*charge(k); } } void PseudoBinaryVPSSTP::calcPseudoBinaryMoleFractions() const { - int k; + size_t k; doublereal sumCat; doublereal sumAnion; doublereal sum = 0.0; diff --git a/Cantera/src/thermo/PureFluidPhase.cpp b/Cantera/src/thermo/PureFluidPhase.cpp index 20ea296d3..4e1df5968 100644 --- a/Cantera/src/thermo/PureFluidPhase.cpp +++ b/Cantera/src/thermo/PureFluidPhase.cpp @@ -541,7 +541,7 @@ namespace Cantera { csvFile << setw(tabS+(tabM+1)*pNames.size()) << "-\n"; csvFile.fill(' '); */ - for (int k = 0; k < kk; k++) { + for (size_t k = 0; k < kk; k++) { csvFile << setw(tabS) << speciesName(k) + ","; if (x[k] > SmallNumber) { for ( int i = 0; i < (int)pNames.size(); i++ ){ diff --git a/Cantera/src/thermo/SimpleThermo.h b/Cantera/src/thermo/SimpleThermo.h index 51026e147..14c4b8648 100644 --- a/Cantera/src/thermo/SimpleThermo.h +++ b/Cantera/src/thermo/SimpleThermo.h @@ -445,7 +445,7 @@ namespace Cantera { /*! * This is less than or equal to the number of species in the phase. */ - int m_nspData; + size_t m_nspData; }; diff --git a/Cantera/src/thermo/SurfPhase.cpp b/Cantera/src/thermo/SurfPhase.cpp index 4da8d76cf..90fc34b5a 100644 --- a/Cantera/src/thermo/SurfPhase.cpp +++ b/Cantera/src/thermo/SurfPhase.cpp @@ -166,7 +166,7 @@ namespace Cantera { void SurfPhase::getPartialMolarEnthalpies(doublereal* hbar) const { getEnthalpy_RT(hbar); doublereal rt = GasConstant * temperature(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { hbar[k] *= rt; } } @@ -179,7 +179,7 @@ namespace Cantera { */ void SurfPhase::getPartialMolarEntropies(doublereal* sbar) const { getEntropy_R(sbar); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { sbar[k] *= GasConstant; } } @@ -192,7 +192,7 @@ namespace Cantera { */ void SurfPhase::getPartialMolarCp(doublereal* cpbar) const { getCp_R(cpbar); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { cpbar[k] *= GasConstant; } } @@ -209,9 +209,8 @@ namespace Cantera { void SurfPhase::getChemPotentials(doublereal* mu) const { _updateThermo(); copy(m_mu0.begin(), m_mu0.end(), mu); - int k; getActivityConcentrations(DATA_PTR(m_work)); - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { mu[k] += GasConstant * temperature() * (log(m_work[k]) - logStandardConc(k)); } @@ -270,7 +269,7 @@ namespace Cantera { void SurfPhase::getStandardVolumes(doublereal* vol) const { _updateThermo(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { vol[k] = 1.0/standardConcentration(k); } } @@ -341,18 +340,17 @@ namespace Cantera { void SurfPhase:: setCoverages(const doublereal* theta) { double sum = 0.0; - int k; - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { sum += theta[k]; } if (sum <= 0.0) { - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { cout << "theta(" << k << ") = " << theta[k] << endl; } throw CanteraError("SurfPhase::setCoverages", "Sum of Coverage fractions is zero or negative"); } - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_work[k] = m_n0*theta[k]/(sum*size(k)); } /* @@ -364,7 +362,7 @@ namespace Cantera { void SurfPhase:: setCoveragesNoNorm(const doublereal* theta) { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_work[k] = m_n0*theta[k]/(size(k)); } /* @@ -377,7 +375,7 @@ namespace Cantera { void SurfPhase:: getCoverages(doublereal* theta) const { getConcentrations(theta); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { theta[k] *= size(k)/m_n0; } } @@ -416,8 +414,7 @@ namespace Cantera { DATA_PTR(m_s0)); m_tlast = tnow; doublereal rt = GasConstant * tnow; - int k; - for (k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_h0[k] *= rt; m_s0[k] *= GasConstant; m_cp0[k] *= GasConstant; diff --git a/Cantera/src/thermo/ThermoPhase.cpp b/Cantera/src/thermo/ThermoPhase.cpp index c8efb4bbb..273fcbaf8 100644 --- a/Cantera/src/thermo/ThermoPhase.cpp +++ b/Cantera/src/thermo/ThermoPhase.cpp @@ -36,7 +36,7 @@ namespace Cantera { ThermoPhase::~ThermoPhase() { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (m_speciesData[k]) { delete m_speciesData[k]; m_speciesData[k] = 0; @@ -84,7 +84,7 @@ namespace Cantera { /* * We need to destruct first */ - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { if (m_speciesData[k]) { delete m_speciesData[k]; m_speciesData[k] = 0; @@ -109,7 +109,7 @@ namespace Cantera { * Do a deep copy of species Data, because we own this */ m_speciesData.resize(m_kk); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_speciesData[k] = new XML_Node(*(right.m_speciesData[k])); } @@ -884,14 +884,14 @@ namespace Cantera { void ThermoPhase::setReferenceComposition(const doublereal *const x) { xMol_Ref.resize(m_kk); if (x) { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { xMol_Ref[k] = x[k]; } } else { getMoleFractions(DATA_PTR(xMol_Ref)); } double sum = -1.0; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { sum += xMol_Ref[k]; } if (fabs(sum) > 1.0E-11) { @@ -902,7 +902,7 @@ namespace Cantera { } void ThermoPhase::getReferenceComposition( doublereal *const x) const { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { x[k] = xMol_Ref[k]; } } @@ -1008,7 +1008,7 @@ namespace Cantera { bool ThermoPhase::getElementPotentials(doublereal* lambda) const { doublereal rt = GasConstant* temperature(); if (m_hasElementPotentials) { - for (int m = 0; m < nElements(); m++) { + for (size_t m = 0; m < nElements(); m++) { lambda[m] = m_lambdaRRT[m] * rt; } } @@ -1231,7 +1231,7 @@ 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; @@ -1240,15 +1240,15 @@ namespace Cantera { csvFile << setw(tabS+(tabM+1)*pNames.size()) << "-\n"; csvFile.fill(' '); */ - for (int k = 0; k < kk; k++) { + for (size_t k = 0; k < kk; k++) { csvFile << setw(tabS) << speciesName(k) + ","; if (x[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/ThermoPhase.h b/Cantera/src/thermo/ThermoPhase.h index 76a80acfd..3778c4f65 100644 --- a/Cantera/src/thermo/ThermoPhase.h +++ b/Cantera/src/thermo/ThermoPhase.h @@ -1241,7 +1241,7 @@ namespace Cantera { void getElectrochemPotentials(doublereal* mu) const { getChemPotentials(mu); double ve = Faraday * electricPotential(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { mu[k] += ve*charge(k); } } diff --git a/Cantera/src/thermo/VPSSMgr.cpp b/Cantera/src/thermo/VPSSMgr.cpp index 8aee417e9..a90f0d7ba 100644 --- a/Cantera/src/thermo/VPSSMgr.cpp +++ b/Cantera/src/thermo/VPSSMgr.cpp @@ -136,7 +136,7 @@ namespace Cantera { // Go see if the SpeciesThermo type is a GeneralSpeciesThermo GeneralSpeciesThermo * gst = dynamic_cast(sp_ptr); if (gst) { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { SpeciesThermoInterpType *st = gst->provideSTIT(k); STITbyPDSS * stpd = dynamic_cast(st); if (stpd) { @@ -193,7 +193,7 @@ namespace Cantera { if (m_useTmpStandardStateStorage) { std::copy(m_hss_RT.begin(), m_hss_RT.end(), urt); doublereal pRT = m_plast / (GasConstant * m_tlast); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { urt[k] -= pRT * m_Vss[k]; } } else { @@ -311,7 +311,7 @@ namespace Cantera { } void VPSSMgr::_updateStandardStateThermo() { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { PDSS *kPDSS = m_vptp_ptr->providePDSS(k); kPDSS->setState_TP(m_tlast, m_plast); } @@ -321,7 +321,7 @@ namespace Cantera { void VPSSMgr::_updateRefStateThermo() const { if (m_spthermo) { m_spthermo->update(m_tlast, &m_cp0_R[0], &m_h0_RT[0], &m_s0_R[0]); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_g0_RT[k] = m_h0_RT[k] - m_s0_R[k]; } } @@ -367,7 +367,7 @@ namespace Cantera { void VPSSMgr::initThermoXML(XML_Node& phaseNode, std::string id) { const PDSS *kPDSS = m_vptp_ptr->providePDSS(0); m_p0 = kPDSS->refPressure(); - for (int i = 0; i < m_kk; i++) { + for (size_t i = 0; i < m_kk; i++) { const PDSS *kPDSS = m_vptp_ptr->providePDSS(i); doublereal mint = kPDSS->minTemp(); if (mint > m_minTemp) { @@ -382,7 +382,7 @@ namespace Cantera { // Add a check to see that all references pressures are the same double m_p0_k; if (m_spthermo) { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_p0_k = m_spthermo->refPressure(k); if (m_p0 != m_p0_k) { //throw CanteraError("VPSSMgr::initThermoXML", @@ -395,7 +395,7 @@ namespace Cantera { } } - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { const PDSS *kPDSS = m_vptp_ptr->providePDSS(k); m_p0_k = kPDSS->refPressure(); if (m_p0 != m_p0_k) { diff --git a/Cantera/src/thermo/VPSSMgr_ConstVol.cpp b/Cantera/src/thermo/VPSSMgr_ConstVol.cpp index bc0f0bb5a..e97b1f2a7 100644 --- a/Cantera/src/thermo/VPSSMgr_ConstVol.cpp +++ b/Cantera/src/thermo/VPSSMgr_ConstVol.cpp @@ -67,7 +67,7 @@ namespace Cantera { doublereal del_pRT = (m_plast - m_p0) / (GasConstant * m_tlast); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_hss_RT[k] = m_h0_RT[k] + del_pRT * m_Vss[k]; m_cpss_R[k] = m_cp0_R[k]; m_sss_R[k] = m_s0_R[k]; @@ -127,7 +127,7 @@ namespace Cantera { &phaseNode.root()); const vector&sss = m_vptp_ptr->speciesNames(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { const XML_Node* s = speciesDB->findByAttr("name", sss[k]); if (!s) { throw CanteraError("VPSSMgr_ConstVol::initThermoXML", diff --git a/Cantera/src/thermo/VPSSMgr_General.cpp b/Cantera/src/thermo/VPSSMgr_General.cpp index 644e3fa35..d5cca55ed 100644 --- a/Cantera/src/thermo/VPSSMgr_General.cpp +++ b/Cantera/src/thermo/VPSSMgr_General.cpp @@ -64,7 +64,7 @@ namespace Cantera { * performed here is consistent with the assignment operator's general functionality. */ m_PDSS_ptrs.resize(m_kk); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_PDSS_ptrs[k] = m_vptp_ptr->providePDSS(k); } return *this; @@ -92,7 +92,7 @@ namespace Cantera { * and storred in the owning VPStandardStateTP class. */ m_PDSS_ptrs.resize(m_kk); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_PDSS_ptrs[k] = m_vptp_ptr->providePDSS(k); } } @@ -100,7 +100,7 @@ namespace Cantera { void VPSSMgr_General::_updateRefStateThermo() const { if (m_useTmpRefStateStorage) { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { PDSS *kPDSS = m_PDSS_ptrs[k]; kPDSS->setState_TP(m_tlast, m_plast); m_h0_RT[k] = kPDSS->enthalpy_RT_ref(); @@ -114,7 +114,7 @@ namespace Cantera { void VPSSMgr_General::_updateStandardStateThermo() { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { PDSS *kPDSS = m_PDSS_ptrs[k]; kPDSS->setState_TP(m_tlast, m_plast); m_hss_RT[k] = kPDSS->enthalpy_RT(); @@ -146,7 +146,7 @@ namespace Cantera { std::copy(m_g0_RT.begin(), m_g0_RT.end(), g); scale(g, g+m_kk, g, _rt); } else { - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { PDSS *kPDSS = m_PDSS_ptrs[k]; kPDSS->setState_TP(m_tlast, m_plast); double h0_RT = kPDSS->enthalpy_RT_ref(); diff --git a/Cantera/src/thermo/VPSSMgr_IdealGas.cpp b/Cantera/src/thermo/VPSSMgr_IdealGas.cpp index d59de9497..409af3ee0 100644 --- a/Cantera/src/thermo/VPSSMgr_IdealGas.cpp +++ b/Cantera/src/thermo/VPSSMgr_IdealGas.cpp @@ -59,7 +59,7 @@ namespace Cantera { void VPSSMgr_IdealGas::getIntEnergy_RT(doublereal* urt) const { getEnthalpy_RT(urt); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { urt[k] -= 1.0; } } @@ -74,7 +74,7 @@ namespace Cantera { doublereal pp = log(m_plast / m_p0); doublereal v = temperature() *GasConstant /m_plast; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_hss_RT[k] = m_h0_RT[k]; m_cpss_R[k] = m_cp0_R[k]; m_sss_R[k] = m_s0_R[k] - pp; diff --git a/Cantera/src/thermo/VPSSMgr_Water_ConstVol.cpp b/Cantera/src/thermo/VPSSMgr_Water_ConstVol.cpp index d68b2a5f0..bb0f0bedf 100644 --- a/Cantera/src/thermo/VPSSMgr_Water_ConstVol.cpp +++ b/Cantera/src/thermo/VPSSMgr_Water_ConstVol.cpp @@ -106,7 +106,7 @@ namespace Cantera { VPSSMgr_Water_ConstVol::getGibbs_ref(doublereal *g) const{ doublereal RT = GasConstant * m_tlast; getGibbs_RT_ref(g); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { g[k] *= RT; } } @@ -156,7 +156,7 @@ namespace Cantera { void VPSSMgr_Water_ConstVol::_updateRefStateThermo() const { m_p0 = m_waterSS->pref_safe(m_tlast); m_spthermo->update(m_tlast, &m_cp0_R[0], &m_h0_RT[0], &m_s0_R[0]); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { m_g0_RT[k] = m_h0_RT[k] - m_s0_R[k]; PDSS *kPDSS = m_vptp_ptr->providePDSS(k); kPDSS->setTemperature(m_tlast); @@ -178,7 +178,7 @@ namespace Cantera { doublereal RT = GasConstant * m_tlast; doublereal del_pRT = (m_plast - OneAtm) / (RT); - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { m_hss_RT[k] = m_h0_RT[k] + del_pRT * m_Vss[k]; m_cpss_R[k] = m_cp0_R[k]; m_sss_R[k] = m_s0_R[k]; @@ -219,7 +219,7 @@ namespace Cantera { m_waterSS->setState_TP(300., OneAtm); m_Vss[0] = (m_waterSS->density()) / m_vptp_ptr->molecularWeight(0); - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { const XML_Node* s = speciesDB->findByAttr("name", sss[k]); if (!s) { throw CanteraError("VPSSMgr_Water_ConstVol::initThermoXML", diff --git a/Cantera/src/thermo/VPSSMgr_Water_HKFT.cpp b/Cantera/src/thermo/VPSSMgr_Water_HKFT.cpp index 5cd5314dd..bdf11dfb1 100644 --- a/Cantera/src/thermo/VPSSMgr_Water_HKFT.cpp +++ b/Cantera/src/thermo/VPSSMgr_Water_HKFT.cpp @@ -82,7 +82,7 @@ namespace Cantera { VPSSMgr_Water_HKFT::getGibbs_ref(doublereal *g) const{ getGibbs_RT_ref(g); doublereal RT = GasConstant * m_tlast; - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { g[k] *= RT; } } @@ -147,7 +147,7 @@ namespace Cantera { m_g0_RT[0] = (m_hss_RT[0] - m_sss_R[0]); m_V0[0] = (m_waterSS->density()) / m_vptp_ptr->molecularWeight(0); PDSS_HKFT *ps; - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { ps = (PDSS_HKFT *) m_vptp_ptr->providePDSS(k); ps->setState_TP(m_tlast, m_p0); m_cp0_R[k] = ps->cp_R(); @@ -164,7 +164,7 @@ namespace Cantera { } m_waterSS->setState_TP(m_tlast, m_plast); - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { ps = (PDSS_HKFT *) m_vptp_ptr->providePDSS(k); ps->setState_TP(m_tlast, m_plast); } @@ -180,7 +180,7 @@ namespace Cantera { m_gss_RT[0] = (m_hss_RT[0] - m_sss_R[0]); m_Vss[0] = (m_vptp_ptr->molecularWeight(0)) / (m_waterSS->density()); - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { PDSS_HKFT *ps = (PDSS_HKFT *) m_vptp_ptr->providePDSS(k); ps->setState_TP(m_tlast, m_plast); m_cpss_R[k] = ps->cp_R(); @@ -208,7 +208,7 @@ namespace Cantera { m_waterSS->setState_TP(300., OneAtm); m_Vss[0] = (m_waterSS->density()) / m_vptp_ptr->molecularWeight(0); - for (int k = 1; k < m_kk; k++) { + for (size_t k = 1; k < m_kk; k++) { const XML_Node* s = speciesDB->findByAttr("name", sss[k]); if (!s) { throw CanteraError("VPSSMgr_Water_HKFT::initThermoXML", diff --git a/Cantera/src/thermo/VPStandardStateTP.cpp b/Cantera/src/thermo/VPStandardStateTP.cpp index d4a8a9b18..63ff70ebc 100644 --- a/Cantera/src/thermo/VPStandardStateTP.cpp +++ b/Cantera/src/thermo/VPStandardStateTP.cpp @@ -83,7 +83,7 @@ namespace Cantera { } } m_PDSS_storage.resize(m_kk); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { PDSS *ptmp = b.m_PDSS_storage[k]; m_PDSS_storage[k] = ptmp->duplMyselfAsPDSS(); } @@ -109,7 +109,7 @@ namespace Cantera { * back to this ThermoPhase's properties. This function also sets m_VPSS_ptr * so it occurs after m_VPSS_ptr is set. */ - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { PDSS *ptmp = m_PDSS_storage[k]; ptmp->initAllPtrs(this, m_VPSS_ptr, m_spthermo); } @@ -187,7 +187,7 @@ namespace Cantera { void VPStandardStateTP::getChemPotentials_RT(doublereal* muRT) const{ getChemPotentials(muRT); doublereal invRT = 1.0 / _RT(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { muRT[k] *= invRT; } } @@ -198,7 +198,7 @@ namespace Cantera { void VPStandardStateTP::getStandardChemPotentials(doublereal* g) const { getGibbs_RT(g); doublereal RT = _RT(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { g[k] *= RT; } } @@ -340,7 +340,7 @@ namespace Cantera { initLengths(); ThermoPhase::initThermo(); m_VPSS_ptr->initThermo(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { PDSS *kPDSS = m_PDSS_storage[k]; if (kPDSS) { kPDSS->initThermo(); @@ -448,7 +448,7 @@ namespace Cantera { VPStandardStateTP::initLengths(); //m_VPSS_ptr->initThermo(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { PDSS *kPDSS = m_PDSS_storage[k]; AssertTrace(kPDSS != 0); if (kPDSS) { diff --git a/Cantera/src/thermo/WaterSSTP.cpp b/Cantera/src/thermo/WaterSSTP.cpp index 5718e221a..e99bd74a6 100644 --- a/Cantera/src/thermo/WaterSSTP.cpp +++ b/Cantera/src/thermo/WaterSSTP.cpp @@ -401,7 +401,7 @@ namespace Cantera { void WaterSSTP::getGibbs_ref(doublereal *g) const { getGibbs_RT_ref(g); doublereal rt = _RT(); - for (int k = 0; k < m_kk; k++) { + for (size_t k = 0; k < m_kk; k++) { g[k] *= rt; } }