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Remove some leftover debugging ifdefs

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This commit is contained in:
Ray Speth 2015-07-20 15:46:49 -04:00
parent c49c969184
commit bf2ceed60e
18 changed files with 0 additions and 340 deletions
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5
include/cantera/numerics/DAE_Solver.h
View file

@ -14,9 +14,6 @@
namespace Cantera namespace Cantera
{ {
#define DAE_DEVEL
#ifdef DAE_DEVEL
class Jacobian class Jacobian
{ {
public: public:
@ -269,8 +266,6 @@ private:
*/ */
DAE_Solver* newDAE_Solver(const std::string& itype, ResidJacEval& f); DAE_Solver* newDAE_Solver(const std::string& itype, ResidJacEval& f);
#endif
} }
#endif #endif

30
src/equil/MultiPhase.cpp
View file

@ -810,36 +810,6 @@ void MultiPhase::equilibrate(const std::string& XY, const std::string& solver,
} }
} }
#ifdef MULTIPHASE_DEVEL
void importFromXML(string infile, string id)
{
XML_Node* root = get_XML_File(infile);
if (id == "-") {
id = "";
}
XML_Node* x = get_XML_Node(string("#")+id, root);
if (x.name() != "multiphase")
throw CanteraError("MultiPhase::importFromXML",
"Current XML_Node is not a multiphase element.");
vector<XML_Node*> phases = x.getChildren("phase");
int np = phases.size();
int n;
ThermoPhase* p;
for (n = 0; n < np; n++) {
XML_Node& ph = *phases[n];
srcfile = infile;
if (ph.hasAttrib("src")) {
srcfile = ph["src"];
}
idstr = ph["id"];
p = newPhase(srcfile, idstr);
if (p) {
addPhase(p, ph.value());
}
}
}
#endif
void MultiPhase::setTemperature(const doublereal T) void MultiPhase::setTemperature(const doublereal T)
{ {
if (!m_init) { if (!m_init) {

39
src/equil/vcs_solve_TP.cpp
View file

@ -944,25 +944,6 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1,
} }
} }
} }
#ifdef VCS_LINE_SEARCH
/*********************************************************************/
/*** LINE SEARCH ALGORITHM FOR MAJOR SPECIES IN NON-IDEAL PHASES *****/
/*********************************************************************/
/*
* Skip the line search if we are birthing a species
*/
if ((dx != 0.0) &&
(m_molNumSpecies_old[kspec] > 0.0) &&
(doPhaseDeleteIph == -1) &&
(m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE)) {
double dx_old = dx;
dx = vcs_line_search(irxn, dx_old, ANOTE);
vcs_setFlagsVolPhases(false, VCS_STATECALC_NEW);
}
m_deltaMolNumSpecies[kspec] = dx;
#endif
} /* End of Loop on ic[irxn] -> the type of species */ } /* End of Loop on ic[irxn] -> the type of species */
/***********************************************************************/ /***********************************************************************/
/****** CALCULATE KMOLE NUMBER CHANGE FOR THE COMPONENT BASIS **********/ /****** CALCULATE KMOLE NUMBER CHANGE FOR THE COMPONENT BASIS **********/
@ -1394,19 +1375,6 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1,
forceComponentCalc = 1; forceComponentCalc = 1;
return; return;
} }
#ifdef DEBUG_NOT
if (m_speciesStatus[l] == VCS_SPECIES_ZEROEDMS && m_molNumSpecies_old[j] == 0.0 && m_stoichCoeffRxnMatrix(j,i) != 0.0 && dg[i] < 0.0) {
if (DEBUG_MODE_ENABLED && m_debug_print_lvl >= 2) {
plogf(" --- Get a new basis because %s", m_speciesName[l].c_str());
plogf(" has dg < 0.0 and comp %s has zero mole num",
m_speciesName[j].c_str());
plogf(" and share nonzero stoic: %-9.1f",
m_stoichCoeffRxnMatrix(j,i));
plogendl();
}
return;
}
#endif
} }
} }
if (DEBUG_MODE_ENABLED && m_debug_print_lvl >= 2) { if (DEBUG_MODE_ENABLED && m_debug_print_lvl >= 2) {
@ -4063,13 +4031,6 @@ void VCS_SOLVE::vcs_deltag(const int l, const bool doDeleted,
} }
} }
} }
#ifdef DEBUG_NOT
for (irxn = 0; irxn < m_numRxnRdc; ++irxn) {
checkFinite(deltaGRxn[irxn]);
}
#endif
} }
void VCS_SOLVE::vcs_printDeltaG(const int stateCalc) void VCS_SOLVE::vcs_printDeltaG(const int stateCalc)

16
src/kinetics/InterfaceKinetics.cpp
View file

@ -367,9 +367,6 @@ void InterfaceKinetics::applyVoltageKfwdCorrection(doublereal* const kf)
* The treatment below is numerically more stable, however. * The treatment below is numerically more stable, however.
*/ */
doublereal eamod; doublereal eamod;
#ifdef DEBUG_KIN_MODE
doublereal ea;
#endif
for (size_t i = 0; i < m_beta.size(); i++) { for (size_t i = 0; i < m_beta.size(); i++) {
size_t irxn = m_ctrxn[i]; size_t irxn = m_ctrxn[i];
@ -378,19 +375,6 @@ void InterfaceKinetics::applyVoltageKfwdCorrection(doublereal* const kf)
if (m_ctrxn_BVform[i] == 0) { if (m_ctrxn_BVform[i] == 0) {
eamod = m_beta[i] * deltaElectricEnergy_[irxn]; eamod = m_beta[i] * deltaElectricEnergy_[irxn];
if (eamod != 0.0) { if (eamod != 0.0) {
#ifdef DEBUG_KIN_MODE
ea = GasConstant * m_E[irxn];
if (eamod + ea < 0.0) {
writelog("Warning: act energy mod too large!\n");
writelog(" Delta phi = "+fp2str(deltaElectricEnergy_[irxn]/Faraday)+"\n");
writelog(" Delta Ea = "+fp2str(eamod)+"\n");
writelog(" Ea = "+fp2str(ea)+"\n");
for (n = 0; n < np; n++) {
writelog("Phase "+int2str(n)+": phi = "
+fp2str(m_phi[n])+"\n");
}
}
#endif
doublereal rt = GasConstant*thermo(0).temperature(); doublereal rt = GasConstant*thermo(0).temperature();
doublereal rrt = 1.0/rt; doublereal rrt = 1.0/rt;
kf[irxn] *= exp(-eamod*rrt); kf[irxn] *= exp(-eamod*rrt);

24
src/oneD/MultiNewton.cpp
View file

@ -186,18 +186,9 @@ void MultiNewton::step(doublereal* x, doublereal* step,
size_t iok; size_t iok;
size_t sz = r.size(); size_t sz = r.size();
r.eval(npos, x, step); r.eval(npos, x, step);
#undef DEBUG_STEP
#ifdef DEBUG_STEP
vector_fp ssave(sz, 0.0);
for (size_t n = 0; n < sz; n++) {
step[n] = -step[n];
ssave[n] = step[n];
}
#else
for (size_t n = 0; n < sz; n++) { for (size_t n = 0; n < sz; n++) {
step[n] = -step[n]; step[n] = -step[n];
} }
#endif
iok = jac.solve(step, step); iok = jac.solve(step, step);
@ -223,21 +214,6 @@ void MultiNewton::step(doublereal* x, doublereal* step,
} else if (int(iok) < 0) } else if (int(iok) < 0)
throw CanteraError("MultiNewton::step", throw CanteraError("MultiNewton::step",
"iok = "+int2str(iok)); "iok = "+int2str(iok));
#ifdef DEBUG_STEP
bool ok = false;
Domain1D* d;
if (!ok) {
for (size_t n = 0; n < sz; n++) {
d = r.pointDomain(n);
int nvd = d->nComponents();
int pt = (n - d->loc())/nvd;
cout << "step: " << pt << " " <<
r.pointDomain(n)->componentName(n - d->loc() - nvd*pt)
<< " " << x[n] << " " << ssave[n] << " " << step[n] << endl;
}
}
#endif
} }
doublereal MultiNewton::boundStep(const doublereal* x0, doublereal MultiNewton::boundStep(const doublereal* x0,

31
src/thermo/DebyeHuckel.cpp
View file

@ -722,16 +722,8 @@ void DebyeHuckel::initThermoXML(XML_Node& phaseNode, const std::string& id_)
double dens = m_waterSS->density(); double dens = m_waterSS->density();
double mw = m_waterSS->molecularWeight(); double mw = m_waterSS->molecularWeight();
m_speciesSize[0] = mw / dens; m_speciesSize[0] = mw / dens;
#ifdef DEBUG_MODE_NOT
cout << "Solvent species " << sss[k] << " has volume " <<
m_speciesSize[k] << endl;
#endif
} else if (modelString == "constant_incompressible") { } else if (modelString == "constant_incompressible") {
m_speciesSize[k] = getFloat(*ss, "molarVolume", "toSi"); m_speciesSize[k] = getFloat(*ss, "molarVolume", "toSi");
#ifdef DEBUG_MODE_NOT
cout << "species " << sss[k] << " has volume " <<
m_speciesSize[k] << endl;
#endif
} else { } else {
throw CanteraError("DebyeHuckel::initThermoXML", throw CanteraError("DebyeHuckel::initThermoXML",
"Solvent SS Model \"" + modelStringa + "Solvent SS Model \"" + modelStringa +
@ -744,10 +736,6 @@ void DebyeHuckel::initThermoXML(XML_Node& phaseNode, const std::string& id_)
"\" is not known"); "\" is not known");
} }
m_speciesSize[k] = getFloat(*ss, "molarVolume", "toSI"); m_speciesSize[k] = getFloat(*ss, "molarVolume", "toSI");
#ifdef DEBUG_MODE_NOT
cout << "species " << sss[k] << " has volume " <<
m_speciesSize[k] << endl;
#endif
} }
} }
@ -777,9 +765,6 @@ void DebyeHuckel::initThermoXML(XML_Node& phaseNode, const std::string& id_)
} }
} else { } else {
m_A_Debye = getFloat(acNode, "A_Debye"); m_A_Debye = getFloat(acNode, "A_Debye");
#ifdef DEBUG_HKM_NOT
cout << "A_Debye = " << m_A_Debye << endl;
#endif
} }
} }
@ -797,9 +782,6 @@ void DebyeHuckel::initThermoXML(XML_Node& phaseNode, const std::string& id_)
*/ */
if (acNode.hasChild("B_Debye")) { if (acNode.hasChild("B_Debye")) {
m_B_Debye = getFloat(acNode, "B_Debye"); m_B_Debye = getFloat(acNode, "B_Debye");
#ifdef DEBUG_HKM_NOT
cout << "B_Debye = " << m_B_Debye << endl;
#endif
} }
/* /*
@ -813,9 +795,6 @@ void DebyeHuckel::initThermoXML(XML_Node& phaseNode, const std::string& id_)
"B_dot entry in the wrong DH form"); "B_dot entry in the wrong DH form");
} }
double bdot_common = getFloat(acNode, "B_dot"); double bdot_common = getFloat(acNode, "B_dot");
#ifdef DEBUG_HKM_NOT
cout << "B_dot = " << bdot_common << endl;
#endif
/* /*
* Set B_dot parameters for charged species * Set B_dot parameters for charged species
*/ */
@ -834,10 +813,6 @@ void DebyeHuckel::initThermoXML(XML_Node& phaseNode, const std::string& id_)
*/ */
if (acNode.hasChild("maxIonicStrength")) { if (acNode.hasChild("maxIonicStrength")) {
m_maxIionicStrength = getFloat(acNode, "maxIonicStrength"); m_maxIionicStrength = getFloat(acNode, "maxIonicStrength");
#ifdef DEBUG_HKM_NOT
cout << "m_maxIionicStrength = "
<<m_maxIionicStrength << endl;
#endif
} }
/* /*
@ -1405,12 +1380,6 @@ void DebyeHuckel::s_update_lnMolalityActCoeff() const
- z_k * z_k * numTmp / (1.0 + denomTmp); - z_k * z_k * numTmp / (1.0 + denomTmp);
for (size_t j = 0; j < m_kk; j++) { for (size_t j = 0; j < m_kk; j++) {
double beta = m_Beta_ij.value(k, j); double beta = m_Beta_ij.value(k, j);
#ifdef DEBUG_HKM_NOT
if (beta != 0.0) {
printf("b: k = %d, j = %d, betakj = %g\n",
k, j, beta);
}
#endif
m_lnActCoeffMolal[k] += 2.0 * m_molalities[j] * beta; m_lnActCoeffMolal[k] += 2.0 * m_molalities[j] * beta;
} }
} }

15
src/thermo/HMWSoln_input.cpp
View file

@ -1312,10 +1312,6 @@ void HMWSoln::initThermoXML(XML_Node& phaseNode, const std::string& id_)
double dens = m_waterSS->density(); double dens = m_waterSS->density();
double mw = m_waterSS->molecularWeight(); double mw = m_waterSS->molecularWeight();
m_speciesSize[0] = mw / dens; m_speciesSize[0] = mw / dens;
#ifdef DEBUG_HKM_NOT
cout << "Solvent species " << sss[k] << " has volume " <<
m_speciesSize[k] << endl;
#endif
} else { } else {
m_waterSS = providePDSS(0); m_waterSS = providePDSS(0);
m_waterSS->setState_TP(300., OneAtm); m_waterSS->setState_TP(300., OneAtm);
@ -1331,10 +1327,6 @@ void HMWSoln::initThermoXML(XML_Node& phaseNode, const std::string& id_)
} }
if (modelString == "constant_incompressible") { if (modelString == "constant_incompressible") {
m_speciesSize[k] = getFloat(*ss, "molarVolume", "toSI"); m_speciesSize[k] = getFloat(*ss, "molarVolume", "toSI");
#ifdef DEBUG_HKM_NOT
cout << "species " << sss[k] << " has volume " <<
m_speciesSize[k] << endl;
#endif
} }
// HKM Note, have to fill up m_speciesSize[] for HKFT species // HKM Note, have to fill up m_speciesSize[] for HKFT species
} }
@ -1382,9 +1374,6 @@ void HMWSoln::initThermoXML(XML_Node& phaseNode, const std::string& id_)
if (m_form_A_Debye == A_DEBYE_CONST) { if (m_form_A_Debye == A_DEBYE_CONST) {
m_A_Debye = getFloat(acNode, "A_Debye"); m_A_Debye = getFloat(acNode, "A_Debye");
} }
#ifdef DEBUG_HKM_NOT
cout << "A_Debye = " << m_A_Debye << endl;
#endif
} }
/* /*
@ -1392,10 +1381,6 @@ void HMWSoln::initThermoXML(XML_Node& phaseNode, const std::string& id_)
*/ */
if (acNode.hasChild("maxIonicStrength")) { if (acNode.hasChild("maxIonicStrength")) {
m_maxIionicStrength = getFloat(acNode, "maxIonicStrength"); m_maxIionicStrength = getFloat(acNode, "maxIonicStrength");
#ifdef DEBUG_HKM_NOT
cout << "m_maxIionicStrength = "
<<m_maxIionicStrength << endl;
#endif
} }

27
src/thermo/IonsFromNeutralVPSSTP.cpp
View file

@ -675,33 +675,6 @@ void IonsFromNeutralVPSSTP::getNeutralMoleculeMoleGrads(const doublereal* const
dy[jNeut] += dx[icat] * temp; dy[jNeut] += dx[icat] * temp;
y_[jNeut] += moleFractions_[icat] * temp; y_[jNeut] += moleFractions_[icat] * temp;
} }
#ifdef DEBUG_MODE_NOT
//check dy sum to zero
for (size_t k = 0; k < m_kk; k++) {
moleFractionsTmp_[k] = dx[k];
}
for (jNeut = 0; jNeut < numNeutralMoleculeSpecies_; jNeut++) {
for (size_t k = 0; k < m_kk; k++) {
fmij = fm_neutralMolec_ions_[k + jNeut * m_kk];
moleFractionsTmp_[k] -= fmij * dy[jNeut];
}
}
for (size_t k = 0; k < m_kk; k++) {
if (fabs(moleFractionsTmp_[k]) > 1.0E-13) {
//! Check to see if we have in fact found the inverse.
if (anionList_[0] != k) {
throw CanteraError("IonsFromNeutralVPSSTP::getNeutralMoleculeMoleGrads",
"neutral molecule calc error");
} else {
//! For the single anion case, we will allow some slippage
if (fabs(moleFractionsTmp_[k]) > 1.0E-5) {
throw CanteraError("IonsFromNeutralVPSSTP::getNeutralMoleculeMoleGrads",
"neutral molecule calc error - anion");
}
}
}
}
#endif
// Normalize the Neutral Molecule mole fractions // Normalize the Neutral Molecule mole fractions
sumy = 0.0; sumy = 0.0;
sumdy = 0.0; sumdy = 0.0;

12
src/thermo/Mu0Poly.cpp
View file

@ -235,18 +235,6 @@ void Mu0Poly::processCoeffs(const doublereal* coeffs)
} }
} }
} }
#ifdef DEBUG_HKM_NOT
printf(" Temp mu0(J/kmol) cp0(J/kmol/K) "
" h0(J/kmol) s0(J/kmol/K) \n");
for (i = 0; i < nPoints; i++) {
printf("%12.3g %12.5g %12.5g %12.5g %12.5g\n",
m_t0_int[i], m_mu0_R_int[i] * GasConstant,
m_cp0_R_int[i]* GasConstant,
m_h0_R_int[i]* GasConstant,
m_s0_R_int[i]* GasConstant);
fflush(stdout);
}
#endif
} }
} }

45
src/thermo/PDSS_HKFT.cpp
View file

@ -212,15 +212,6 @@ doublereal PDSS_HKFT::enthalpy_mole() const
{ {
// Ok we may change this evaluation method in the future. // Ok we may change this evaluation method in the future.
doublereal h = gibbs_mole() + m_temp * entropy_mole(); doublereal h = gibbs_mole() + m_temp * entropy_mole();
#ifdef DEBUG_MODE_NOT
doublereal h2 = enthalpy_mole2();
if (fabs(h - h2) > 1.0E-1) {
printf("we are here, h = %g, h2 = %g, k = %d, T = %g, P = %g p0 = %g\n",
h, h2, m_spindex, m_temp, m_pres,
m_p0);
}
#endif
return h; return h;
} }
@ -302,15 +293,6 @@ doublereal PDSS_HKFT::cp_mole() const
doublereal d2relepsilondT2 = m_waterProps->relEpsilon(m_temp, m_pres, 2); doublereal d2relepsilondT2 = m_waterProps->relEpsilon(m_temp, m_pres, 2);
#ifdef DEBUG_MODE_NOT
doublereal d1 = m_waterProps->relEpsilon(m_temp, m_pres, 1);
doublereal d2 = m_waterProps->relEpsilon(m_temp + 0.0001, m_pres, 1);
doublereal d3 = (d2 - d1) / 0.0001;
if (fabs(d2relepsilondT2 - d3) > 1.0E-6) {
printf("we are here\n");
}
#endif
doublereal X = d2relepsilondT2 / (relepsilon* relepsilon) - 2.0 * relepsilon * Y * Y; doublereal X = d2relepsilondT2 / (relepsilon* relepsilon) - 2.0 * relepsilon * Y * Y;
doublereal Z = -1.0 / relepsilon; doublereal Z = -1.0 / relepsilon;
@ -328,17 +310,6 @@ doublereal PDSS_HKFT::cp_mole() const
// Convert to Joules / kmol // Convert to Joules / kmol
doublereal Cp = Cp_calgmol * 1.0E3 * 4.184; doublereal Cp = Cp_calgmol * 1.0E3 * 4.184;
#ifdef DEBUG_MODE_NOT
double e1 = enthalpy_mole();
m_temp = m_temp - 0.001;
double e2 = enthalpy_mole();
m_temp = m_temp + 0.001;
double cpd = (e1 - e2) / 0.001;
if (fabs(Cp - cpd) > 10.0) {
printf("Cp difference : raw: %g, delta: %g, k = %d, T = %g, m_pres = %g\n",
Cp, cpd, m_spindex, m_temp, m_pres);
}
#endif
return Cp; return Cp;
} }
@ -1017,22 +988,6 @@ doublereal PDSS_HKFT::gstar(const doublereal temp, const doublereal pres, const
doublereal gval = g(temp, pres, ifunc); doublereal gval = g(temp, pres, ifunc);
doublereal fval = f(temp, pres, ifunc); doublereal fval = f(temp, pres, ifunc);
double res = gval - fval; double res = gval - fval;
#ifdef DEBUG_MODE_NOT
if (ifunc == 2) {
double gval1 = g(temp, pres, 1);
double fval1 = f(temp, pres, 1);
double gval2 = g(temp + 0.001, pres, 1);
double fval2 = f(temp + 0.001, pres, 1);
double gvalT = (gval2 - gval1) / 0.001;
double fvalT = (fval2 - fval1) / 0.001;
if (fabs(gvalT - gval) > 1.0E-9) {
printf("we are here\n");
}
if (fabs(fvalT - fval) > 1.0E-9) {
printf("we are here\n");
}
}
#endif
return res; return res;
} }

14
src/thermo/RedlichKisterVPSSTP.cpp
View file

@ -367,20 +367,6 @@ void RedlichKisterVPSSTP::s_update_lnActCoeff() const
} }
} }
// Debug against formula in literature // Debug against formula in literature
#ifdef DEBUG_MODE_NOT
double lnA = 0.0;
double lnB = 0.0;
double polyk = 1.0;
double fac = 2.0 * XA - 1.0;
for (int m = 0; m < N; m++) {
doublereal A_ge = (he_vec[m] - T * se_vec[m]) / (GasConstant * T);
lnA += A_ge * oneMXA * oneMXA * polyk * (1.0 + 2.0 * XA * m / fac);
lnB += A_ge * XA * XA * polyk * (1.0 - 2.0 * oneMXA * m / fac);
polyk *= fac;
}
// This gives the same result as above
#endif
} }
} }

6
src/thermo/VPSSMgr_Water_HKFT.cpp
View file

@ -163,12 +163,6 @@ void VPSSMgr_Water_HKFT::_updateRefStateThermo() const
m_s0_R[k] = ps->entropy_mole() / GasConstant; m_s0_R[k] = ps->entropy_mole() / GasConstant;
m_g0_RT[k] = ps->gibbs_RT(); m_g0_RT[k] = ps->gibbs_RT();
m_h0_RT[k] = m_g0_RT[k] + m_s0_R[k]; m_h0_RT[k] = m_g0_RT[k] + m_s0_R[k];
#ifdef DEBUG_MODE_NOT
double h = ps->enthalpy_RT();
if (fabs(m_h0_RT[k] - h) > 1.0E-4) {
printf(" VPSSMgr_Water_HKFT::_updateRefStateThermo:: we have a discrepancy\n");
}
#endif
m_V0[k] = ps->molarVolume(); m_V0[k] = ps->molarVolume();
} }

3
test_problems/ChemEquil_ionizedGas/ionizedGasEquil.cpp
View file

@ -9,9 +9,6 @@ int main(int argc, char** argv)
{ {
#ifdef _MSC_VER #ifdef _MSC_VER
_set_output_format(_TWO_DIGIT_EXPONENT); _set_output_format(_TWO_DIGIT_EXPONENT);
#endif
#ifdef DEBUG_CHEMEQUIL
ChemEquil_print_lvl = 0;
#endif #endif
try { try {
suppress_deprecation_warnings(); suppress_deprecation_warnings();

22
test_problems/cathermo/HMW_dupl_test/HMW_dupl_test.cpp
View file

@ -92,15 +92,6 @@ int main(int argc, char** argv)
double Cp0_NaCl = 0.0, Cp0_Naplus = 0.0, Cp0_Clminus = 0.0, Delta_Cp0s = 0.0, Cp0_H2O = 0.0; double Cp0_NaCl = 0.0, Cp0_Naplus = 0.0, Cp0_Clminus = 0.0, Delta_Cp0s = 0.0, Cp0_H2O = 0.0;
double Cp_NaCl = 0.0, Cp_Naplus = 0.0, Cp_Clminus = 0.0, Cp_H2O = 0.0; double Cp_NaCl = 0.0, Cp_Naplus = 0.0, Cp_Clminus = 0.0, Cp_H2O = 0.0;
double molarCp0; double molarCp0;
#ifdef DEBUG_HKM
FILE* ttt;
if (itherms ==0) {
ttt = fopen("table1.csv","w");
} else {
ttt = fopen("table2.csv","w");
}
#endif
printf("A_J/R: Comparison to Pitzer's book, p. 99, can be made.\n"); printf("A_J/R: Comparison to Pitzer's book, p. 99, can be made.\n");
printf(" Agreement is within 12 pc \n"); printf(" Agreement is within 12 pc \n");
printf("\n"); printf("\n");
@ -133,11 +124,6 @@ int main(int argc, char** argv)
" kJ/gmolSalt," " kJ/gmolSalt,"
" kJ/gmolSalt, kJ/gmolSoln, kJ/gmolSalt," " kJ/gmolSalt, kJ/gmolSoln, kJ/gmolSalt,"
" kJ/gmol, kJ/gmol\n"); " kJ/gmol, kJ/gmol\n");
#ifdef DEBUG_HKM
fprintf(ttt,"T, Pres, A_J/R, Delta_Cp0, Delta_Cps, J, phiJ\n");
fprintf(ttt,"Kelvin, bar, sqrt(kg/gmol), kJ/gmolSalt, kJ/gmolSalt, kJ/gmolSoln,"
"kJ/gmolSalt\n");
#endif
for (i = 0; i < TTable.NPoints + 1; i++) { for (i = 0; i < TTable.NPoints + 1; i++) {
if (i == TTable.NPoints) { if (i == TTable.NPoints) {
T = 323.15; T = 323.15;
@ -237,10 +223,6 @@ int main(int argc, char** argv)
"%13.5f, %13.5f, %13.5f, %13.5f\n", "%13.5f, %13.5f, %13.5f, %13.5f\n",
T, pres*1.0E-5, Aphi, AJ/GasConstant, Delta_Cp0s, Delta_Cps, T, pres*1.0E-5, Aphi, AJ/GasConstant, Delta_Cp0s, Delta_Cps,
J, phiJ, molarCp , molarCp0); J, phiJ, molarCp , molarCp0);
#ifdef DEBUG_HKM
fprintf(ttt,"%g, %g, %g, %g, %g, %g, %g\n",
T, pres*1.0E-5, AJ/GasConstant, Delta_Cp0s, Delta_Cps, J, phiJ);
#endif
} }
} }
@ -262,10 +244,6 @@ int main(int argc, char** argv)
printf("%13.5f %13.5f %13.5f %13.5f\n", 1.0, printf("%13.5f %13.5f %13.5f %13.5f\n", 1.0,
Cp0_NaCl , Cp_NaCl, Cp_NaCl - Cp0_NaCl); Cp0_NaCl , Cp_NaCl, Cp_NaCl - Cp0_NaCl);
#ifdef DEBUG_HKM
fclose(ttt);
#endif
} }
delete HMW1; delete HMW1;

16
test_problems/cathermo/HMW_graph_CpvT/HMW_graph_CpvT.cpp
View file

@ -79,9 +79,6 @@ int main(int argc, char** argv)
double Cp0_NaCl = 0.0, Cp0_Naplus = 0.0, Cp0_Clminus = 0.0, Delta_Cp0s = 0.0, Cp0_H2O = 0.0; double Cp0_NaCl = 0.0, Cp0_Naplus = 0.0, Cp0_Clminus = 0.0, Delta_Cp0s = 0.0, Cp0_H2O = 0.0;
double Cp_NaCl = 0.0, Cp_Naplus = 0.0, Cp_Clminus = 0.0, Cp_H2O = 0.0; double Cp_NaCl = 0.0, Cp_Naplus = 0.0, Cp_Clminus = 0.0, Cp_H2O = 0.0;
double molarCp0; double molarCp0;
#ifdef DEBUG_HKM
FILE* ttt = fopen("table.csv","w");
#endif
printf("A_J/R: Comparison to Pitzer's book, p. 99, can be made.\n"); printf("A_J/R: Comparison to Pitzer's book, p. 99, can be made.\n");
printf(" Agreement is within 12 pc \n"); printf(" Agreement is within 12 pc \n");
printf("\n"); printf("\n");
@ -114,11 +111,6 @@ int main(int argc, char** argv)
" kJ/gmolSalt," " kJ/gmolSalt,"
" kJ/gmolSalt, kJ/gmolSoln, kJ/gmolSalt," " kJ/gmolSalt, kJ/gmolSoln, kJ/gmolSalt,"
" kJ/gmol, kJ/gmol\n"); " kJ/gmol, kJ/gmol\n");
#ifdef DEBUG_HKM
fprintf(ttt,"T, Pres, A_J/R, Delta_Cp0, Delta_Cps, J, phiJ\n");
fprintf(ttt,"Kelvin, bar, sqrt(kg/gmol), kJ/gmolSalt, kJ/gmolSalt, kJ/gmolSoln,"
"kJ/gmolSalt\n");
#endif
for (i = 0; i < TTable.NPoints + 1; i++) { for (i = 0; i < TTable.NPoints + 1; i++) {
if (i == TTable.NPoints) { if (i == TTable.NPoints) {
T = 323.15; T = 323.15;
@ -218,10 +210,6 @@ int main(int argc, char** argv)
"%13.5g, %13.5g, %13.5g, %13.5g\n", "%13.5g, %13.5g, %13.5g, %13.5g\n",
T, pres*1.0E-5, Aphi, AJ/GasConstant, Delta_Cp0s, Delta_Cps, T, pres*1.0E-5, Aphi, AJ/GasConstant, Delta_Cp0s, Delta_Cps,
J, phiJ, molarCp , molarCp0); J, phiJ, molarCp , molarCp0);
#ifdef DEBUG_HKM
fprintf(ttt,"%g, %g, %g, %g, %g, %g, %g\n",
T, pres*1.0E-5, AJ/GasConstant, Delta_Cp0s, Delta_Cps, J, phiJ);
#endif
} }
} }
@ -249,10 +237,6 @@ int main(int argc, char** argv)
delete solid; delete solid;
solid = 0; solid = 0;
Cantera::appdelete(); Cantera::appdelete();
#ifdef DEBUG_HKM
fclose(ttt);
#endif
return retn; return retn;
} catch (CanteraError& err) { } catch (CanteraError& err) {

16
test_problems/cathermo/HMW_graph_HvT/HMW_graph_HvT.cpp
View file

@ -98,9 +98,6 @@ int main(int argc, char** argv)
printf(" against analytical formula in L_standalone program.\n"); printf(" against analytical formula in L_standalone program.\n");
printf(" (comparison against Eq. 12, Silvester and Pitzer)\n"); printf(" (comparison against Eq. 12, Silvester and Pitzer)\n");
#ifdef DEBUG_HKM
FILE* ttt = fopen("table.csv","w");
#endif
/* /*
* Create a Table of NaCl Enthalpy Properties as a Function * Create a Table of NaCl Enthalpy Properties as a Function
* of the Temperature * of the Temperature
@ -115,10 +112,6 @@ int main(int argc, char** argv)
" kJ/gmolSalt," " kJ/gmolSalt,"
" kJ/gmolSalt, kJ/gmolSoln, kJ/gmolSalt," " kJ/gmolSalt, kJ/gmolSoln, kJ/gmolSalt,"
" kJ/gmolSalt, kJ/gmol, kJ/gmol\n"); " kJ/gmolSalt, kJ/gmol, kJ/gmol\n");
#ifdef DEBUG_HKM
fprintf(ttt,"T, Pres, A_L/RT, Delta_H0, Delta_Hs, phiL\n");
fprintf(ttt,"Kelvin, bar, sqrt(kg/gmol), kJ/gmolSalt, kJ/gmolSalt, kJ/gmolSalt\n");
#endif
for (i = 0; i < TTable.NPoints + 1; i++) { for (i = 0; i < TTable.NPoints + 1; i++) {
if (i == TTable.NPoints) { if (i == TTable.NPoints) {
T = 323.15; T = 323.15;
@ -208,10 +201,6 @@ int main(int argc, char** argv)
LrelMol, LrelMol,
molarEnth , molarEnth0); molarEnth , molarEnth0);
#ifdef DEBUG_HKM
fprintf(ttt,"%g, %g, %g, %g, %g, %g\n",
T, pres*1.0E-5, AL/RT, Delta_H0s, Delta_Hs, phiL);
#endif
} }
} }
@ -236,11 +225,6 @@ int main(int argc, char** argv)
delete solid; delete solid;
solid = 0; solid = 0;
Cantera::appdelete(); Cantera::appdelete();
#ifdef DEBUG_HKM
fclose(ttt);
#endif
return retn; return retn;
} catch (CanteraError& err) { } catch (CanteraError& err) {

15
test_problems/cathermo/HMW_graph_VvT/HMW_graph_VvT.cpp
View file

@ -75,9 +75,6 @@ int main(int argc, char** argv)
double V0_NaCl = 0.0, V0_Naplus = 0.0, V0_Clminus = 0.0, Delta_V0s = 0.0, V0_H2O = 0.0; double V0_NaCl = 0.0, V0_Naplus = 0.0, V0_Clminus = 0.0, Delta_V0s = 0.0, V0_H2O = 0.0;
double V_NaCl = 0.0, V_Naplus = 0.0, V_Clminus = 0.0, V_H2O = 0.0; double V_NaCl = 0.0, V_Naplus = 0.0, V_Clminus = 0.0, V_H2O = 0.0;
double molarV0; double molarV0;
#ifdef DEBUG_HKM
FILE* ttt = fopen("table.csv","w");
#endif
printf("A_V : Comparison to Pitzer's book, p. 99, can be made.\n"); printf("A_V : Comparison to Pitzer's book, p. 99, can be made.\n");
printf(" Agreement to 3 sig digits \n"); printf(" Agreement to 3 sig digits \n");
printf("\n"); printf("\n");
@ -110,11 +107,6 @@ int main(int argc, char** argv)
"cm**3/gmolSalt," "cm**3/gmolSalt,"
"cm**3/gmolSalt,cm**3/gmolSoln,cm**3/gmolSalt," "cm**3/gmolSalt,cm**3/gmolSoln,cm**3/gmolSalt,"
"cm**3/gmol, cm**3/gmol\n"); "cm**3/gmol, cm**3/gmol\n");
#ifdef DEBUG_HKM
fprintf(ttt,"T, Pres, A_V, Vex, phiV, MolarV, MolarV0\n");
fprintf(ttt,"Kelvin, bar, sqrt(kg/gmol)cm3/gmol, cm3/gmolSoln, cm3/gmolSalt, kJ/gmolSoln,"
"kJ/gmolSoln\n");
#endif
for (i = 0; i < TTable.NPoints + 1; i++) { for (i = 0; i < TTable.NPoints + 1; i++) {
if (i == TTable.NPoints) { if (i == TTable.NPoints) {
T = 323.15; T = 323.15;
@ -217,10 +209,6 @@ int main(int argc, char** argv)
"%13.5g, %13.4g, %13.4g, %13.4g\n", "%13.5g, %13.4g, %13.4g, %13.4g\n",
T, pres*1.0E-5, Aphi, Av, Delta_V0s*1.0E3, Delta_Vs*1.0E3, T, pres*1.0E-5, Aphi, Av, Delta_V0s*1.0E3, Delta_Vs*1.0E3,
Vex*1.0E3, phiV*1.0E3, molarV*1.0E3 , molarV0*1.0E3); Vex*1.0E3, phiV*1.0E3, molarV*1.0E3 , molarV0*1.0E3);
#ifdef DEBUG_HKM
fprintf(ttt,"%g, %g, %g, %g, %g, %g, %g\n",
T, pres*1.0E-5, Av, Vex*1.0E3, phiV*1.0E3, molarV*1.0E3 , molarV0*1.0E3);
#endif
} }
} }
@ -253,9 +241,6 @@ int main(int argc, char** argv)
delete solid; delete solid;
solid = 0; solid = 0;
Cantera::appdelete(); Cantera::appdelete();
#ifdef DEBUG_HKM
fclose(ttt);
#endif
return retn; return retn;
} catch (CanteraError& err) { } catch (CanteraError& err) {

4
test_problems/surfSolverTest/surfaceSolver2.cpp
View file

@ -16,10 +16,6 @@
#define MSSIZE 200 #define MSSIZE 200
#ifdef DEBUG_HKM
int iDebug_HKM = 0;
#endif
/*****************************************************************/ /*****************************************************************/
/*****************************************************************/ /*****************************************************************/
/*****************************************************************/ /*****************************************************************/