Eliminated some shadowing of member variables by function arguments
This commit is contained in:
parent
70b08a6891
commit
4e3a79394b
25 changed files with 256 additions and 261 deletions
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@ -82,8 +82,8 @@ public:
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}
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virtual void install(const std::string& name, size_t index, int type,
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const doublereal* c, doublereal minTemp, doublereal maxTemp,
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doublereal refPressure) {
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const doublereal* c, doublereal minTemp_, doublereal maxTemp_,
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doublereal refPressure_) {
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m_be = c[1];
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m_nFreqs = int(c[0]);
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for (size_t n = 0; n < m_nFreqs; n++) {
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@ -91,9 +91,9 @@ public:
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}
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m_index = index;
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m_lowT = minTemp;
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m_highT = maxTemp;
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m_Pref = refPressure;
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m_lowT = minTemp_;
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m_highT = maxTemp_;
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m_Pref = refPressure_;
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}
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@ -732,9 +732,9 @@ public:
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private:
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GibbsExcessVPSSTP* geThermo;
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// Temporary vectors that I don't want to allocate every time the function is called
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mutable vector_fp y;
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mutable vector_fp dlnActCoeff_NeutralMolecule;
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mutable vector_fp dX_NeutralMolecule;
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mutable vector_fp y_;
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mutable vector_fp dlnActCoeff_NeutralMolecule_;
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mutable vector_fp dX_NeutralMolecule_;
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//! If true then we own the underlying neutral Molecule Phase
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/*!
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@ -142,17 +142,17 @@ public:
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* - c[2] = \f$ S_k^o(T_0, p_{ref}) \f$ (J/kmol K)
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* - c[3] = \f$ {Cp}_k^o(T_0, p_{ref}) \f$ (J(kmol K)
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*
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* @param minTemp minimum temperature for which this parameterization
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* @param minTemp_ minimum temperature for which this parameterization
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* is valid.
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* @param maxTemp maximum temperature for which this parameterization
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* @param maxTemp_ maximum temperature for which this parameterization
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* is valid.
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* @param refPressure standard-state pressure for this
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* @param refPressure_ standard-state pressure for this
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* parameterization.
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*
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* @see ConstCpPoly
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*/
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virtual void install(const std::string& name, size_t index, int type, const doublereal* c,
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doublereal minTemp, doublereal maxTemp, doublereal refPressure) {
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doublereal minTemp_, doublereal maxTemp_, doublereal refPressure_) {
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m_logt0.push_back(log(c[0]));
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m_t0.push_back(c[0]);
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@ -162,8 +162,8 @@ public:
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m_index.push_back(index);
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m_loc[index] = m_nspData;
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m_nspData++;
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doublereal tlow = minTemp;
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doublereal thigh = maxTemp;
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doublereal tlow = minTemp_;
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doublereal thigh = maxTemp_;
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if (tlow > m_tlow_max) {
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m_tlow_max = tlow;
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@ -180,17 +180,17 @@ public:
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m_thigh[index] = thigh;
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if (m_p0 < 0.0) {
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m_p0 = refPressure;
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} else if (fabs(m_p0 - refPressure) > 0.1) {
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m_p0 = refPressure_;
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} else if (fabs(m_p0 - refPressure_) > 0.1) {
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std::string logmsg = " WARNING SimpleThermo: New Species, " + name +
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", has a different reference pressure, "
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+ fp2str(refPressure) + ", than existing reference pressure, " + fp2str(m_p0) + "\n";
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+ fp2str(refPressure_) + ", than existing reference pressure, " + fp2str(m_p0) + "\n";
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writelog(logmsg);
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logmsg = " This is now a fatal error\n";
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writelog(logmsg);
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throw CanteraError("install()", "Species have different reference pressures");
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}
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m_p0 = refPressure;
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m_p0 = refPressure_;
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}
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//! Install a new species thermodynamic property
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@ -325,16 +325,16 @@ public:
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* @param c Vector of coefficients used to set the
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* parameters for the standard state.
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* For the SimpleThermo object, there are 4 coefficients.
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* @param minTemp output - Minimum temperature
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* @param maxTemp output - Maximum temperature
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* @param refPressure output - reference pressure (Pa).
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* @param minTemp_ output - Minimum temperature
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* @param maxTemp_ output - Maximum temperature
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* @param refPressure_ output - reference pressure (Pa).
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*
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*/
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virtual void reportParams(size_t index, int& type,
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doublereal* const c,
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doublereal& minTemp,
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doublereal& maxTemp,
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doublereal& refPressure) const {
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doublereal& minTemp_,
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doublereal& maxTemp_,
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doublereal& refPressure_) const {
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type = reportType(index);
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size_t loc = m_loc[index];
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if (type == SIMPLE) {
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@ -342,9 +342,9 @@ public:
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c[1] = m_h0_R[loc] * GasConstant;
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c[2] = m_s0_R[loc] * GasConstant;
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c[3] = m_cp0_R[loc] * GasConstant;
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minTemp = m_tlow[loc];
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maxTemp = m_thigh[loc];
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refPressure = m_p0;
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minTemp_ = m_tlow[loc];
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maxTemp_ = m_thigh[loc];
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refPressure_ = m_p0;
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}
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}
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@ -278,18 +278,18 @@ template<class T1, class T2>
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void
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SpeciesThermoDuo<T1, T2>::install(const std::string& name, size_t sp, int type,
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const doublereal* c,
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doublereal minTemp,
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doublereal maxTemp,
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doublereal refPressure)
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doublereal minTemp_,
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doublereal maxTemp_,
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doublereal refPressure_)
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{
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m_p0 = refPressure;
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m_p0 = refPressure_;
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if (type == m_thermo1.ID) {
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m_thermo1.install(name, sp, 0, c, minTemp, maxTemp,
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refPressure);
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m_thermo1.install(name, sp, 0, c, minTemp_, maxTemp_,
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refPressure_);
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speciesToType[sp] = m_thermo1.ID;
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} else if (type == m_thermo2.ID) {
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m_thermo2.install(name, sp, 0, c, minTemp, maxTemp,
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refPressure);
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m_thermo2.install(name, sp, 0, c, minTemp_, maxTemp_,
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refPressure_);
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speciesToType[sp] = m_thermo2.ID;
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} else {
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throw UnknownSpeciesThermo("SpeciesThermoDuo:install",type);
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@ -320,17 +320,17 @@ template<class T1, class T2>
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void
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SpeciesThermoDuo<T1, T2>::reportParams(size_t index, int& type,
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doublereal* const c,
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doublereal& minTemp,
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doublereal& maxTemp,
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doublereal& refPressure) const
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doublereal& minTemp_,
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doublereal& maxTemp_,
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doublereal& refPressure_) const
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{
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int ctype = reportType(index);
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if (ctype == m_thermo1.ID) {
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m_thermo1.reportParams(index, type, c, minTemp, maxTemp,
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refPressure);
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m_thermo1.reportParams(index, type, c, minTemp_, maxTemp_,
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refPressure_);
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} else if (ctype == m_thermo2.ID) {
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m_thermo2.reportParams(index, type, c, minTemp, maxTemp,
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refPressure);
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m_thermo2.reportParams(index, type, c, minTemp_, maxTemp_,
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refPressure_);
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} else {
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throw CanteraError(" ", "confused");
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}
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@ -58,11 +58,11 @@ public:
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* energy to SI units.
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* @param units activation energy units
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*/
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doublereal actEnergyToSI(const std::string& units) {
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if (m_act_u.find(units) != m_act_u.end()) {
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return m_act_u[units];
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doublereal actEnergyToSI(const std::string& units_) {
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if (m_act_u.find(units_) != m_act_u.end()) {
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return m_act_u[units_];
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} else {
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return toSI(units);
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return toSI(units_);
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}
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}
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@ -75,16 +75,16 @@ public:
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*
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* @param units String containing the units description
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*/
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doublereal toSI(const std::string& units) {
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doublereal toSI(const std::string& units_) {
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// if dimensionless, return 1.0
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if (units == "") {
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if (units_ == "") {
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return 1.0;
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}
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doublereal f = 1.0, fctr;
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int tsize;
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std::string u = units, tok, tsub;
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std::string u = units_, tok, tsub;
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std::string::size_type k;
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char action = '-';
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@ -368,20 +368,20 @@ XML_Node::XML_Node(const char* cnm) :
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* @param parent Pointer to the parent for this node in the tree.
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* A value of zero 0 indicates this is the top of the tree.
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*/
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XML_Node::XML_Node(const std::string& nm, XML_Node* const parent) :
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XML_Node::XML_Node(const std::string& nm, XML_Node* const parent_) :
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m_name(nm),
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m_value(""),
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m_parent(parent),
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m_parent(parent_),
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m_root(0),
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m_locked(false),
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m_nchildren(0),
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m_iscomment(false),
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m_linenum(0)
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{
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if (!parent) {
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if (!parent_) {
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m_root = this;
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} else {
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m_root = &(parent->root());
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m_root = &(parent_->root());
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}
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}
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@ -554,10 +554,10 @@ XML_Node& XML_Node::addChild(const char* cstring)
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* @param value Value of the XML_Node - string
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* @return Returns a reference to the created child XML_Node object
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*/
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XML_Node& XML_Node::addChild(const std::string& name, const std::string& value)
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XML_Node& XML_Node::addChild(const std::string& name_, const std::string& value_)
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{
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XML_Node& c = addChild(name);
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c.addValue(value);
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XML_Node& c = addChild(name_);
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c.addValue(value_);
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return c;
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}
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@ -576,11 +576,11 @@ XML_Node& XML_Node::addChild(const std::string& name, const std::string& value)
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*
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* @return Returns a reference to the created child XML_Node object
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*/
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XML_Node& XML_Node::addChild(const std::string& name, const doublereal value,
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XML_Node& XML_Node::addChild(const std::string& name_, const doublereal value_,
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const std::string& fmt)
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{
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XML_Node& c = addChild(name);
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c.addValue(value, fmt);
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XML_Node& c = addChild(name_);
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c.addValue(value_, fmt);
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return c;
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}
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@ -703,9 +703,9 @@ std::string XML_Node::operator()(const std::string& loc) const
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* @param attrib String name for the attribute to be assigned
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* @param value String value that the attribute will have
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*/
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void XML_Node::addAttribute(const std::string& attrib, const std::string& value)
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void XML_Node::addAttribute(const std::string& attrib_, const std::string& value_)
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{
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m_attribs[attrib] = value;
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m_attribs[attrib_] = value_;
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}
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// Add or modify an attribute to the double, value
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@ -718,10 +718,10 @@ void XML_Node::addAttribute(const std::string& attrib, const std::string& value)
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* @param fmt Format of the printf string conversion of the double.
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* Default is "%g".
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*/
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void XML_Node::addAttribute(const std::string& attrib,
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const doublereal value, const std::string& fmt)
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void XML_Node::addAttribute(const std::string& attrib_,
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const doublereal value_, const std::string& fmt)
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{
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m_attribs[attrib] = fp2str(value, fmt);
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m_attribs[attrib_] = fp2str(value_, fmt);
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}
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// The operator[] is overloaded to provide a lookup capability
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@ -1037,17 +1037,17 @@ XML_Node* XML_Node::findNameIDIndex(const std::string& nameTarget,
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* This algorithm does a lateral search of first generation children
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* first before diving deeper into each tree branch.
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*/
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XML_Node* XML_Node::findID(const std::string& id, const int depth) const
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XML_Node* XML_Node::findID(const std::string& id_, const int depth) const
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{
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if (hasAttrib("id")) {
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if (attrib("id") == id) {
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if (attrib("id") == id_) {
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return const_cast<XML_Node*>(this);
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}
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}
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if (depth > 0) {
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XML_Node* r = 0;
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for (size_t i = 0; i < nChildren(); i++) {
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r = m_children[i]->findID(id, depth-1);
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r = m_children[i]->findID(id_, depth-1);
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if (r != 0) {
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return r;
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}
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@ -1170,10 +1170,10 @@ void XML_Node::build(std::istream& f)
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XML_Reader r(f);
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string nm, nm2, val;
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XML_Node* node = this;
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map<string, string> attribs;
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map<string, string> node_attribs;
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while (!f.eof()) {
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attribs.clear();
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nm = r.readTag(attribs);
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node_attribs.clear();
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nm = r.readTag(node_attribs);
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if (nm == "EOF") {
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break;
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@ -1186,7 +1186,7 @@ void XML_Node::build(std::istream& f)
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nm2 = nm.substr(0,nm.size()-1);
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node = &node->addChild(nm2);
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node->addValue("");
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node->attribs() = attribs;
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node->attribs() = node_attribs;
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node->setLineNumber(lnum);
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node = node->parent();
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} else if (nm[0] != '/') {
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@ -1194,7 +1194,7 @@ void XML_Node::build(std::istream& f)
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node = &node->addChild(nm);
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val = r.readValue();
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node->addValue(val);
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node->attribs() = attribs;
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node->attribs() = node_attribs;
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node->setLineNumber(lnum);
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} else if (nm.substr(0,2) == "--") {
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if (nm.substr(nm.size()-2,2) == "--") {
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@ -1335,11 +1335,11 @@ void XML_Node::unlock()
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* with the matching name
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*/
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void XML_Node::getChildren(const std::string& nm,
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std::vector<XML_Node*>& children) const
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std::vector<XML_Node*>& children_) const
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{
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for (size_t i = 0; i < nChildren(); i++) {
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if (child(i).name() == nm) {
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children.push_back(&child(i));
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children_.push_back(&child(i));
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}
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}
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}
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@ -1535,11 +1535,11 @@ XML_Node& XML_Node::root() const
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return *m_root;
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}
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void XML_Node::setRoot(const XML_Node& root)
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void XML_Node::setRoot(const XML_Node& newRoot)
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{
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m_root = const_cast<XML_Node*>(&root);
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m_root = const_cast<XML_Node*>(&newRoot);
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for (size_t i = 0; i < m_nchildren; i++) {
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m_children[i]->setRoot(root);
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m_children[i]->setRoot(newRoot);
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}
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}
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@ -53,7 +53,7 @@ DebyeHuckel::DebyeHuckel() :
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}
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DebyeHuckel::DebyeHuckel(const std::string& inputFile,
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const std::string& id) :
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const std::string& id_) :
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MolalityVPSSTP(),
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m_formDH(DHFORM_DILUTE_LIMIT),
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m_formGC(2),
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@ -72,10 +72,10 @@ DebyeHuckel::DebyeHuckel(const std::string& inputFile,
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m_npActCoeff[0] = 0.1127;
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m_npActCoeff[1] = -0.01049;
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m_npActCoeff[2] = 1.545E-3;
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initThermoFile(inputFile, id);
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initThermoFile(inputFile, id_);
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}
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DebyeHuckel::DebyeHuckel(XML_Node& phaseRoot, const std::string& id) :
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DebyeHuckel::DebyeHuckel(XML_Node& phaseRoot, const std::string& id_) :
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MolalityVPSSTP(),
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m_formDH(DHFORM_DILUTE_LIMIT),
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m_formGC(2),
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@ -94,7 +94,7 @@ DebyeHuckel::DebyeHuckel(XML_Node& phaseRoot, const std::string& id) :
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m_npActCoeff[0] = 0.1127;
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m_npActCoeff[1] = -0.01049;
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m_npActCoeff[2] = 1.545E-3;
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importPhase(*findXMLPhase(&phaseRoot, id), this);
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importPhase(*findXMLPhase(&phaseRoot, id_), this);
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}
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DebyeHuckel::DebyeHuckel(const DebyeHuckel& b) :
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@ -623,11 +623,11 @@ static int interp_est(const std::string& estString)
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}
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void DebyeHuckel::
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initThermoXML(XML_Node& phaseNode, const std::string& id)
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initThermoXML(XML_Node& phaseNode, const std::string& id_)
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{
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if (id.size() > 0) {
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if (id_.size() > 0) {
|
||||
std::string idp = phaseNode.id();
|
||||
if (idp != id) {
|
||||
if (idp != id_) {
|
||||
throw CanteraError("DebyeHuckel::initThermoXML",
|
||||
"phasenode and Id are incompatible");
|
||||
}
|
||||
|
|
|
|||
|
|
@ -412,7 +412,7 @@ addElement(const XML_Node& e)
|
|||
*/
|
||||
void Elements::
|
||||
addUniqueElement(const std::string& symbol,
|
||||
doublereal weight, int atomicNumber, doublereal entropy298,
|
||||
doublereal weight, int atomicNumber_, doublereal entropy298,
|
||||
int elem_type)
|
||||
{
|
||||
if (weight == -12345.0) {
|
||||
|
|
@ -442,7 +442,7 @@ addUniqueElement(const std::string& symbol,
|
|||
}
|
||||
m_atomicWeights.push_back(weight);
|
||||
m_elementNames.push_back(symbol);
|
||||
m_atomicNumbers.push_back(atomicNumber);
|
||||
m_atomicNumbers.push_back(atomicNumber_);
|
||||
m_entropy298.push_back(entropy298);
|
||||
if (symbol == "E") {
|
||||
m_elem_type.push_back(CT_ELEM_TYPE_ELECTRONCHARGE);
|
||||
|
|
|
|||
|
|
@ -32,18 +32,18 @@ FixedChemPotSSTP::FixedChemPotSSTP() :
|
|||
{
|
||||
}
|
||||
|
||||
FixedChemPotSSTP::FixedChemPotSSTP(const std::string& infile, std::string id) :
|
||||
FixedChemPotSSTP::FixedChemPotSSTP(const std::string& infile, std::string id_) :
|
||||
SingleSpeciesTP(),
|
||||
chemPot_(0.0)
|
||||
{
|
||||
XML_Node* root = get_XML_File(infile);
|
||||
if (id == "-") {
|
||||
id = "";
|
||||
if (id_ == "-") {
|
||||
id_ = "";
|
||||
}
|
||||
XML_Node* xphase = get_XML_NameID("phase", std::string("#")+id, root);
|
||||
XML_Node* xphase = get_XML_NameID("phase", std::string("#")+id_, root);
|
||||
if (!xphase) {
|
||||
throw CanteraError("FixedChemPotSSTP::FixedChemPotSSTP",
|
||||
"Couldn't find phase name in file:" + id);
|
||||
"Couldn't find phase name in file:" + id_);
|
||||
}
|
||||
// Check the model name to ensure we have compatibility
|
||||
const XML_Node& th = xphase->child("thermo");
|
||||
|
|
@ -54,14 +54,13 @@ FixedChemPotSSTP::FixedChemPotSSTP(const std::string& infile, std::string id) :
|
|||
}
|
||||
importPhase(*xphase, this);
|
||||
}
|
||||
|
||||
FixedChemPotSSTP::FixedChemPotSSTP(XML_Node& xmlphase, const std::string& id) :
|
||||
FixedChemPotSSTP::FixedChemPotSSTP(XML_Node& xmlphase, const std::string& id_) :
|
||||
SingleSpeciesTP(),
|
||||
chemPot_(0.0)
|
||||
{
|
||||
if (id != "") {
|
||||
if (id_ != "") {
|
||||
std::string idxml = xmlphase["id"];
|
||||
if (id != idxml) {
|
||||
if (id_ != idxml) {
|
||||
throw CanteraError("FixedChemPotSSTP::FixedChemPotSSTP",
|
||||
"id's don't match");
|
||||
}
|
||||
|
|
@ -313,7 +312,7 @@ void FixedChemPotSSTP::initThermo()
|
|||
SingleSpeciesTP::initThermo();
|
||||
}
|
||||
|
||||
void FixedChemPotSSTP::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
||||
void FixedChemPotSSTP::initThermoXML(XML_Node& phaseNode, const std::string& id_)
|
||||
{
|
||||
/*
|
||||
* Find the Thermo XML node
|
||||
|
|
@ -331,7 +330,7 @@ void FixedChemPotSSTP::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
|||
double val = ctml::getFloatDefaultUnits(tnode, "chemicalPotential", "J/kmol");
|
||||
chemPot_ = val;
|
||||
}
|
||||
SingleSpeciesTP::initThermoXML(phaseNode, id);
|
||||
SingleSpeciesTP::initThermoXML(phaseNode, id_);
|
||||
}
|
||||
|
||||
void FixedChemPotSSTP::setParameters(int n, doublereal* const c)
|
||||
|
|
|
|||
|
|
@ -107,16 +107,16 @@ void GeneralSpeciesThermo::install(const std::string& name,
|
|||
size_t index,
|
||||
int type,
|
||||
const doublereal* c,
|
||||
doublereal minTemp,
|
||||
doublereal maxTemp,
|
||||
doublereal refPressure)
|
||||
doublereal minTemp_,
|
||||
doublereal maxTemp_,
|
||||
doublereal refPressure_)
|
||||
{
|
||||
/*
|
||||
* Resize the arrays if necessary, filling the empty
|
||||
* slots with the zero pointer.
|
||||
*/
|
||||
|
||||
if (minTemp <= 0.0) {
|
||||
if (minTemp_ <= 0.0) {
|
||||
throw CanteraError("Error in GeneralSpeciesThermo.cpp",
|
||||
" Cannot take 0 tmin as input. \n\n");
|
||||
}
|
||||
|
|
@ -133,39 +133,39 @@ void GeneralSpeciesThermo::install(const std::string& name,
|
|||
|
||||
switch (type) {
|
||||
case NASA1:
|
||||
m_sp[index] = new NasaPoly1(index, minTemp, maxTemp,
|
||||
refPressure, c);
|
||||
m_sp[index] = new NasaPoly1(index, minTemp_, maxTemp_,
|
||||
refPressure_, c);
|
||||
break;
|
||||
case SHOMATE1:
|
||||
m_sp[index] = new ShomatePoly(index, minTemp, maxTemp,
|
||||
refPressure, c);
|
||||
m_sp[index] = new ShomatePoly(index, minTemp_, maxTemp_,
|
||||
refPressure_, c);
|
||||
break;
|
||||
case CONSTANT_CP:
|
||||
case SIMPLE:
|
||||
m_sp[index] = new ConstCpPoly(index, minTemp, maxTemp,
|
||||
refPressure, c);
|
||||
m_sp[index] = new ConstCpPoly(index, minTemp_, maxTemp_,
|
||||
refPressure_, c);
|
||||
break;
|
||||
case MU0_INTERP:
|
||||
m_sp[index] = new Mu0Poly(index, minTemp, maxTemp,
|
||||
refPressure, c);
|
||||
m_sp[index] = new Mu0Poly(index, minTemp_, maxTemp_,
|
||||
refPressure_, c);
|
||||
break;
|
||||
case SHOMATE2:
|
||||
m_sp[index] = new ShomatePoly2(index, minTemp, maxTemp,
|
||||
refPressure, c);
|
||||
m_sp[index] = new ShomatePoly2(index, minTemp_, maxTemp_,
|
||||
refPressure_, c);
|
||||
break;
|
||||
case NASA2:
|
||||
m_sp[index] = new NasaPoly2(index, minTemp, maxTemp,
|
||||
refPressure, c);
|
||||
m_sp[index] = new NasaPoly2(index, minTemp_, maxTemp_,
|
||||
refPressure_, c);
|
||||
break;
|
||||
|
||||
case STAT:
|
||||
m_sp[index] = new StatMech(index, minTemp, maxTemp,
|
||||
refPressure, c, name);
|
||||
m_sp[index] = new StatMech(index, minTemp_, maxTemp_,
|
||||
refPressure_, c, name);
|
||||
break;
|
||||
|
||||
case ADSORBATE:
|
||||
m_sp[index] = new Adsorbate(index, minTemp, maxTemp,
|
||||
refPressure, c);
|
||||
m_sp[index] = new Adsorbate(index, minTemp_, maxTemp_,
|
||||
refPressure_, c);
|
||||
break;
|
||||
default:
|
||||
throw UnknownSpeciesThermoModel(
|
||||
|
|
@ -177,8 +177,8 @@ void GeneralSpeciesThermo::install(const std::string& name,
|
|||
cout << "Null m_sp... index = " << index << endl;
|
||||
cout << "type = " << type << endl;
|
||||
}
|
||||
m_tlow_max = max(minTemp, m_tlow_max);
|
||||
m_thigh_min = min(maxTemp, m_thigh_min);
|
||||
m_tlow_max = max(minTemp_, m_tlow_max);
|
||||
m_thigh_min = min(maxTemp_, m_thigh_min);
|
||||
}
|
||||
|
||||
// Install a new species thermodynamic property
|
||||
|
|
@ -212,11 +212,8 @@ void GeneralSpeciesThermo::install_STIT(SpeciesThermoInterpType* stit_ptr)
|
|||
/*
|
||||
* Calculate max and min
|
||||
*/
|
||||
double minTemp = stit_ptr->minTemp();
|
||||
double maxTemp = stit_ptr->maxTemp();
|
||||
|
||||
m_tlow_max = max(minTemp, m_tlow_max);
|
||||
m_thigh_min = min(maxTemp, m_thigh_min);
|
||||
m_tlow_max = max(stit_ptr->minTemp(), m_tlow_max);
|
||||
m_thigh_min = min(stit_ptr->maxTemp(), m_thigh_min);
|
||||
}
|
||||
|
||||
|
||||
|
|
@ -285,13 +282,13 @@ int GeneralSpeciesThermo::reportType(size_t index) const
|
|||
*/
|
||||
void GeneralSpeciesThermo::
|
||||
reportParams(size_t index, int& type, doublereal* const c,
|
||||
doublereal& minTemp, doublereal& maxTemp, doublereal& refPressure) const
|
||||
doublereal& minTemp_, doublereal& maxTemp_, doublereal& refPressure_) const
|
||||
{
|
||||
SpeciesThermoInterpType* sp = m_sp[index];
|
||||
size_t n;
|
||||
if (sp) {
|
||||
sp->reportParameters(n, type, minTemp, maxTemp,
|
||||
refPressure, c);
|
||||
sp->reportParameters(n, type, minTemp_, maxTemp_,
|
||||
refPressure_, c);
|
||||
if (n != index) {
|
||||
throw CanteraError("GeneralSpeciesThermo::reportParams",
|
||||
"Internal error encountered");
|
||||
|
|
|
|||
|
|
@ -81,7 +81,7 @@ HMWSoln::HMWSoln() :
|
|||
}
|
||||
}
|
||||
|
||||
HMWSoln::HMWSoln(const std::string& inputFile, const std::string& id) :
|
||||
HMWSoln::HMWSoln(const std::string& inputFile, const std::string& id_) :
|
||||
MolalityVPSSTP(),
|
||||
m_formPitzer(PITZERFORM_BASE),
|
||||
m_formPitzerTemp(PITZER_TEMP_CONSTANT),
|
||||
|
|
@ -129,10 +129,10 @@ HMWSoln::HMWSoln(const std::string& inputFile, const std::string& id) :
|
|||
elambda[i] = 0.0;
|
||||
elambda1[i] = 0.0;
|
||||
}
|
||||
initThermoFile(inputFile, id);
|
||||
initThermoFile(inputFile, id_);
|
||||
}
|
||||
|
||||
HMWSoln::HMWSoln(XML_Node& phaseRoot, const std::string& id) :
|
||||
HMWSoln::HMWSoln(XML_Node& phaseRoot, const std::string& id_) :
|
||||
MolalityVPSSTP(),
|
||||
m_formPitzer(PITZERFORM_BASE),
|
||||
m_formPitzerTemp(PITZER_TEMP_CONSTANT),
|
||||
|
|
@ -180,7 +180,7 @@ HMWSoln::HMWSoln(XML_Node& phaseRoot, const std::string& id) :
|
|||
elambda[i] = 0.0;
|
||||
elambda1[i] = 0.0;
|
||||
}
|
||||
importPhase(*findXMLPhase(&phaseRoot, id), this);
|
||||
importPhase(*findXMLPhase(&phaseRoot, id_), this);
|
||||
}
|
||||
|
||||
HMWSoln::HMWSoln(const HMWSoln& b) :
|
||||
|
|
|
|||
|
|
@ -1136,12 +1136,12 @@ void HMWSoln::constructPhaseXML(XML_Node& phaseNode, std::string id)
|
|||
}
|
||||
|
||||
void HMWSoln::
|
||||
initThermoXML(XML_Node& phaseNode, const std::string& id)
|
||||
initThermoXML(XML_Node& phaseNode, const std::string& id_)
|
||||
{
|
||||
string stemp;
|
||||
if (id.size() > 0) {
|
||||
if (id_.size() > 0) {
|
||||
string idp = phaseNode.id();
|
||||
if (idp != id) {
|
||||
if (idp != id_) {
|
||||
throw CanteraError("HMWSoln::initThermoXML",
|
||||
"phasenode and Id are incompatible");
|
||||
}
|
||||
|
|
@ -1609,7 +1609,7 @@ initThermoXML(XML_Node& phaseNode, const std::string& id)
|
|||
calcMCCutoffParams_();
|
||||
setMoleFSolventMin(1.0E-5);
|
||||
|
||||
MolalityVPSSTP::initThermoXML(phaseNode, id);
|
||||
MolalityVPSSTP::initThermoXML(phaseNode, id_);
|
||||
/*
|
||||
* Lastly calculate the charge balance and then add stuff until the charges compensate
|
||||
*/
|
||||
|
|
|
|||
|
|
@ -109,11 +109,11 @@ doublereal IdealGasPhase::cv_tr(doublereal atomicity) const
|
|||
int dum = 0;
|
||||
int type = 0;
|
||||
doublereal c[12];
|
||||
doublereal minTemp;
|
||||
doublereal maxTemp;
|
||||
doublereal refPressure;
|
||||
doublereal minTemp_;
|
||||
doublereal maxTemp_;
|
||||
doublereal refPressure_;
|
||||
|
||||
m_spthermo->reportParams(dum, type, c, minTemp, maxTemp, refPressure);
|
||||
m_spthermo->reportParams(dum, type, c, minTemp_, maxTemp_, refPressure_);
|
||||
|
||||
if (type != 111) {
|
||||
throw CanteraError("Error in IdealGasPhase.cpp", "cv_tr only supported for StatMech!. \n\n");
|
||||
|
|
@ -140,13 +140,13 @@ doublereal IdealGasPhase::cv_vib(const int k, const doublereal T) const
|
|||
int dum = 0;
|
||||
int type = 0;
|
||||
doublereal c[12];
|
||||
doublereal minTemp;
|
||||
doublereal maxTemp;
|
||||
doublereal refPressure;
|
||||
doublereal minTemp_;
|
||||
doublereal maxTemp_;
|
||||
doublereal refPressure_;
|
||||
|
||||
c[0] = temperature();
|
||||
|
||||
m_spthermo->reportParams(dum, type, c, minTemp, maxTemp, refPressure);
|
||||
m_spthermo->reportParams(dum, type, c, minTemp_, maxTemp_, refPressure_);
|
||||
|
||||
// basic sanity check
|
||||
if (type != 111) {
|
||||
|
|
|
|||
|
|
@ -111,7 +111,7 @@ IdealMolalSoln::IdealMolalSoln(const std::string& inputFile,
|
|||
initThermoFile(inputFile, id);
|
||||
}
|
||||
|
||||
IdealMolalSoln::IdealMolalSoln(XML_Node& root, const std::string& id) :
|
||||
IdealMolalSoln::IdealMolalSoln(XML_Node& root, const std::string& id_) :
|
||||
MolalityVPSSTP(),
|
||||
m_formGC(2),
|
||||
IMS_typeCutoff_(0),
|
||||
|
|
@ -130,7 +130,7 @@ IdealMolalSoln::IdealMolalSoln(XML_Node& root, const std::string& id) :
|
|||
IMS_agCut_(0.0),
|
||||
IMS_bgCut_(0.0)
|
||||
{
|
||||
importPhase(*findXMLPhase(&root, id), this);
|
||||
importPhase(*findXMLPhase(&root, id_), this);
|
||||
}
|
||||
|
||||
IdealMolalSoln::~IdealMolalSoln()
|
||||
|
|
@ -508,7 +508,7 @@ void IdealMolalSoln::initThermo()
|
|||
MolalityVPSSTP::initThermo();
|
||||
}
|
||||
|
||||
void IdealMolalSoln::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
||||
void IdealMolalSoln::initThermoXML(XML_Node& phaseNode, const std::string& id_)
|
||||
{
|
||||
/*
|
||||
* Find the Thermo XML node
|
||||
|
|
@ -523,9 +523,9 @@ void IdealMolalSoln::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
|||
*/
|
||||
initThermo();
|
||||
|
||||
if (id.size() > 0) {
|
||||
if (id_.size() > 0) {
|
||||
std::string idp = phaseNode.id();
|
||||
if (idp != id) {
|
||||
if (idp != id_) {
|
||||
throw CanteraError("IdealMolalSoln::initThermo",
|
||||
"phasenode and Id are incompatible");
|
||||
}
|
||||
|
|
@ -666,7 +666,7 @@ void IdealMolalSoln::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
|||
calcIMSCutoffParams_();
|
||||
}
|
||||
|
||||
MolalityVPSSTP::initThermoXML(phaseNode, id);
|
||||
MolalityVPSSTP::initThermoXML(phaseNode, id_);
|
||||
|
||||
|
||||
setMoleFSolventMin(1.0E-5);
|
||||
|
|
|
|||
|
|
@ -35,7 +35,7 @@ IdealSolidSolnPhase::IdealSolidSolnPhase(int formGC) :
|
|||
}
|
||||
|
||||
IdealSolidSolnPhase::IdealSolidSolnPhase(const std::string& inputFile,
|
||||
const std::string& id, int formGC) :
|
||||
const std::string& id_, int formGC) :
|
||||
ThermoPhase(),
|
||||
m_formGC(formGC),
|
||||
m_Pref(OneAtm),
|
||||
|
|
@ -46,10 +46,10 @@ IdealSolidSolnPhase::IdealSolidSolnPhase(const std::string& inputFile,
|
|||
throw CanteraError(" IdealSolidSolnPhase Constructor",
|
||||
" Illegal value of formGC");
|
||||
}
|
||||
initThermoFile(inputFile, id);
|
||||
initThermoFile(inputFile, id_);
|
||||
}
|
||||
|
||||
IdealSolidSolnPhase::IdealSolidSolnPhase(XML_Node& root, const std::string& id,
|
||||
IdealSolidSolnPhase::IdealSolidSolnPhase(XML_Node& root, const std::string& id_,
|
||||
int formGC) :
|
||||
ThermoPhase(),
|
||||
m_formGC(formGC),
|
||||
|
|
@ -61,7 +61,7 @@ IdealSolidSolnPhase::IdealSolidSolnPhase(XML_Node& root, const std::string& id,
|
|||
throw CanteraError(" IdealSolidSolnPhase Constructor",
|
||||
" Illegal value of formGC");
|
||||
}
|
||||
importPhase(*findXMLPhase(&root, id), this);
|
||||
importPhase(*findXMLPhase(&root, id_), this);
|
||||
}
|
||||
|
||||
IdealSolidSolnPhase::IdealSolidSolnPhase(const IdealSolidSolnPhase& b)
|
||||
|
|
@ -556,12 +556,12 @@ void IdealSolidSolnPhase::initThermo()
|
|||
{
|
||||
}
|
||||
|
||||
void IdealSolidSolnPhase::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
||||
void IdealSolidSolnPhase::initThermoXML(XML_Node& phaseNode, const std::string& id_)
|
||||
{
|
||||
string subname = "IdealSolidSolnPhase::initThermoXML";
|
||||
if (id.size() > 0) {
|
||||
if (id_.size() > 0) {
|
||||
string idp = phaseNode.id();
|
||||
if (idp != id) {
|
||||
if (idp != id_) {
|
||||
throw CanteraError(subname.c_str(),
|
||||
"phasenode and Id are incompatible");
|
||||
}
|
||||
|
|
@ -633,7 +633,7 @@ void IdealSolidSolnPhase::initThermoXML(XML_Node& phaseNode, const std::string&
|
|||
* Call the base initThermo, which handles setting the initial
|
||||
* state.
|
||||
*/
|
||||
ThermoPhase::initThermoXML(phaseNode, id);
|
||||
ThermoPhase::initThermoXML(phaseNode, id_);
|
||||
}
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
|
|
|
|||
|
|
@ -31,19 +31,19 @@ IdealSolnGasVPSS::IdealSolnGasVPSS() :
|
|||
{
|
||||
}
|
||||
|
||||
IdealSolnGasVPSS::IdealSolnGasVPSS(const std::string& infile, std::string id) :
|
||||
IdealSolnGasVPSS::IdealSolnGasVPSS(const std::string& infile, std::string id_) :
|
||||
VPStandardStateTP(),
|
||||
m_idealGas(0),
|
||||
m_formGC(0)
|
||||
{
|
||||
XML_Node* root = get_XML_File(infile);
|
||||
if (id == "-") {
|
||||
id = "";
|
||||
if (id_ == "-") {
|
||||
id_ = "";
|
||||
}
|
||||
XML_Node* xphase = get_XML_NameID("phase", std::string("#")+id, root);
|
||||
XML_Node* xphase = get_XML_NameID("phase", std::string("#")+id_, root);
|
||||
if (!xphase) {
|
||||
throw CanteraError("newPhase",
|
||||
"Couldn't find phase named \"" + id + "\" in file, " + infile);
|
||||
"Couldn't find phase named \"" + id_ + "\" in file, " + infile);
|
||||
}
|
||||
importPhase(*xphase, this);
|
||||
}
|
||||
|
|
@ -372,7 +372,7 @@ void IdealSolnGasVPSS::initLengths()
|
|||
m_pp.resize(m_kk, 0.0);
|
||||
}
|
||||
|
||||
void IdealSolnGasVPSS::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
||||
void IdealSolnGasVPSS::initThermoXML(XML_Node& phaseNode, const std::string& id_)
|
||||
{
|
||||
IdealSolnGasVPSS::initLengths();
|
||||
|
||||
|
|
@ -421,7 +421,7 @@ void IdealSolnGasVPSS::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
|||
}
|
||||
}
|
||||
|
||||
VPStandardStateTP::initThermoXML(phaseNode, id);
|
||||
VPStandardStateTP::initThermoXML(phaseNode, id_);
|
||||
}
|
||||
|
||||
void IdealSolnGasVPSS::setParametersFromXML(const XML_Node& thermoNode)
|
||||
|
|
|
|||
|
|
@ -50,7 +50,7 @@ IonsFromNeutralVPSSTP::IonsFromNeutralVPSSTP() :
|
|||
}
|
||||
|
||||
IonsFromNeutralVPSSTP::IonsFromNeutralVPSSTP(const std::string& inputFile,
|
||||
const std::string& id,
|
||||
const std::string& id_,
|
||||
ThermoPhase* neutralPhase) :
|
||||
GibbsExcessVPSSTP(),
|
||||
ionSolnType_(cIonSolnType_SINGLEANION),
|
||||
|
|
@ -69,7 +69,7 @@ IonsFromNeutralVPSSTP::IonsFromNeutralVPSSTP(const std::string& inputFile,
|
|||
if (neutralPhase) {
|
||||
IOwnNThermoPhase_ = false;
|
||||
}
|
||||
constructPhaseFile(inputFile, id);
|
||||
constructPhaseFile(inputFile, id_);
|
||||
geThermo = dynamic_cast<GibbsExcessVPSSTP*>(neutralMoleculePhase_);
|
||||
//y.resize(numNeutralMoleculeSpecies_,0.0);
|
||||
//size_t numNeutMolSpec = geThermo->nSpecies();
|
||||
|
|
@ -78,7 +78,7 @@ IonsFromNeutralVPSSTP::IonsFromNeutralVPSSTP(const std::string& inputFile,
|
|||
}
|
||||
|
||||
IonsFromNeutralVPSSTP::IonsFromNeutralVPSSTP(XML_Node& phaseRoot,
|
||||
const std::string& id, ThermoPhase* neutralPhase) :
|
||||
const std::string& id_, ThermoPhase* neutralPhase) :
|
||||
GibbsExcessVPSSTP(),
|
||||
ionSolnType_(cIonSolnType_SINGLEANION),
|
||||
numNeutralMoleculeSpecies_(0),
|
||||
|
|
@ -97,12 +97,12 @@ IonsFromNeutralVPSSTP::IonsFromNeutralVPSSTP(XML_Node& phaseRoot,
|
|||
if (neutralPhase) {
|
||||
IOwnNThermoPhase_ = false;
|
||||
}
|
||||
constructPhaseXML(phaseRoot, id);
|
||||
constructPhaseXML(phaseRoot, id_);
|
||||
geThermo = dynamic_cast<GibbsExcessVPSSTP*>(neutralMoleculePhase_);
|
||||
y.resize(numNeutralMoleculeSpecies_,0.0);
|
||||
y_.resize(numNeutralMoleculeSpecies_,0.0);
|
||||
size_t numNeutMolSpec = geThermo->nSpecies();
|
||||
dlnActCoeff_NeutralMolecule.resize(numNeutMolSpec);
|
||||
dX_NeutralMolecule.resize(numNeutMolSpec);
|
||||
dlnActCoeff_NeutralMolecule_.resize(numNeutMolSpec);
|
||||
dX_NeutralMolecule_.resize(numNeutMolSpec);
|
||||
}
|
||||
|
||||
IonsFromNeutralVPSSTP::IonsFromNeutralVPSSTP(const IonsFromNeutralVPSSTP& b) :
|
||||
|
|
@ -170,9 +170,9 @@ operator=(const IonsFromNeutralVPSSTP& b)
|
|||
passThroughList_ = b.passThroughList_;
|
||||
numPassThroughSpecies_ = b.numPassThroughSpecies_;
|
||||
|
||||
y = b.y;
|
||||
dlnActCoeff_NeutralMolecule = b.dlnActCoeff_NeutralMolecule;
|
||||
dX_NeutralMolecule = b.dX_NeutralMolecule;
|
||||
y_ = b.y_;
|
||||
dlnActCoeff_NeutralMolecule_ = b.dlnActCoeff_NeutralMolecule_;
|
||||
dX_NeutralMolecule_ = b.dX_NeutralMolecule_;
|
||||
|
||||
IOwnNThermoPhase_ = b.IOwnNThermoPhase_;
|
||||
moleFractionsTmp_ = b.moleFractionsTmp_;
|
||||
|
|
@ -201,7 +201,7 @@ IonsFromNeutralVPSSTP::duplMyselfAsThermoPhase() const
|
|||
return new IonsFromNeutralVPSSTP(*this);
|
||||
}
|
||||
|
||||
void IonsFromNeutralVPSSTP::constructPhaseFile(std::string inputFile, std::string id)
|
||||
void IonsFromNeutralVPSSTP::constructPhaseFile(std::string inputFile, std::string id_)
|
||||
{
|
||||
|
||||
if (inputFile.size() == 0) {
|
||||
|
|
@ -221,23 +221,23 @@ void IonsFromNeutralVPSSTP::constructPhaseFile(std::string inputFile, std::strin
|
|||
XML_Node& phaseNode_XML = xml();
|
||||
XML_Node* fxml = new XML_Node();
|
||||
fxml->build(fin);
|
||||
XML_Node* fxml_phase = findXMLPhase(fxml, id);
|
||||
XML_Node* fxml_phase = findXMLPhase(fxml, id_);
|
||||
if (!fxml_phase) {
|
||||
throw CanteraError("MargulesVPSSTP:constructPhaseFile",
|
||||
"ERROR: Can not find phase named " +
|
||||
id + " in file named " + inputFile);
|
||||
id_ + " in file named " + inputFile);
|
||||
}
|
||||
fxml_phase->copy(&phaseNode_XML);
|
||||
constructPhaseXML(*fxml_phase, id);
|
||||
constructPhaseXML(*fxml_phase, id_);
|
||||
delete fxml;
|
||||
}
|
||||
|
||||
void IonsFromNeutralVPSSTP::constructPhaseXML(XML_Node& phaseNode, std::string id)
|
||||
void IonsFromNeutralVPSSTP::constructPhaseXML(XML_Node& phaseNode, std::string id_)
|
||||
{
|
||||
string stemp;
|
||||
if (id.size() > 0) {
|
||||
if (id_.size() > 0) {
|
||||
string idp = phaseNode.id();
|
||||
if (idp != id) {
|
||||
if (idp != id_) {
|
||||
throw CanteraError("IonsFromNeutralVPSSTP::constructPhaseXML",
|
||||
"phasenode and Id are incompatible");
|
||||
}
|
||||
|
|
@ -728,7 +728,7 @@ void IonsFromNeutralVPSSTP::getNeutralMoleculeMoleGrads(const doublereal* const
|
|||
|
||||
//! Zero the vector we are trying to find.
|
||||
for (size_t k = 0; k < numNeutralMoleculeSpecies_; k++) {
|
||||
y[k] = 0.0;
|
||||
y_[k] = 0.0;
|
||||
dy[k] = 0.0;
|
||||
}
|
||||
|
||||
|
|
@ -753,7 +753,7 @@ void IonsFromNeutralVPSSTP::getNeutralMoleculeMoleGrads(const doublereal* const
|
|||
AssertTrace(fmij != 0.0);
|
||||
const doublereal temp = 1.0/fmij;
|
||||
dy[jNeut] += dx[icat] * temp;
|
||||
y[jNeut] += moleFractions_[icat] * temp;
|
||||
y_[jNeut] += moleFractions_[icat] * temp;
|
||||
}
|
||||
}
|
||||
|
||||
|
|
@ -763,7 +763,7 @@ void IonsFromNeutralVPSSTP::getNeutralMoleculeMoleGrads(const doublereal* const
|
|||
fmij = fm_neutralMolec_ions_[ icat + jNeut * m_kk];
|
||||
const doublereal temp = 1.0/fmij;
|
||||
dy[jNeut] += dx[icat] * temp;
|
||||
y[jNeut] += moleFractions_[icat] * temp;
|
||||
y_[jNeut] += moleFractions_[icat] * temp;
|
||||
}
|
||||
#ifdef DEBUG_MODE_NOT
|
||||
//check dy sum to zero
|
||||
|
|
@ -794,12 +794,12 @@ void IonsFromNeutralVPSSTP::getNeutralMoleculeMoleGrads(const doublereal* const
|
|||
sumy = 0.0;
|
||||
sumdy = 0.0;
|
||||
for (size_t k = 0; k < numNeutralMoleculeSpecies_; k++) {
|
||||
sumy += y[k];
|
||||
sumy += y_[k];
|
||||
sumdy += dy[k];
|
||||
}
|
||||
sumy = 1.0 / sumy;
|
||||
for (size_t k = 0; k < numNeutralMoleculeSpecies_; k++) {
|
||||
dy[k] = dy[k] * sumy - y[k]*sumdy*sumy*sumy;
|
||||
dy[k] = dy[k] * sumy - y_[k]*sumdy*sumy*sumy;
|
||||
}
|
||||
|
||||
break;
|
||||
|
|
@ -894,9 +894,9 @@ void IonsFromNeutralVPSSTP::initLengths()
|
|||
dlnActCoeffdlnN_diag_NeutralMolecule_.resize(numNeutralMoleculeSpecies_);
|
||||
dlnActCoeffdlnN_NeutralMolecule_.resize(numNeutralMoleculeSpecies_, numNeutralMoleculeSpecies_, 0.0);
|
||||
|
||||
y.resize(numNeutralMoleculeSpecies_, 0.0);
|
||||
dlnActCoeff_NeutralMolecule.resize(numNeutralMoleculeSpecies_, 0.0);
|
||||
dX_NeutralMolecule.resize(numNeutralMoleculeSpecies_, 0.0);
|
||||
y_.resize(numNeutralMoleculeSpecies_, 0.0);
|
||||
dlnActCoeff_NeutralMolecule_.resize(numNeutralMoleculeSpecies_, 0.0);
|
||||
dX_NeutralMolecule_.resize(numNeutralMoleculeSpecies_, 0.0);
|
||||
|
||||
}
|
||||
|
||||
|
|
@ -934,13 +934,12 @@ static double factorOverlap(const std::vector<std::string>& elnamesVN ,
|
|||
}
|
||||
return fMax;
|
||||
}
|
||||
|
||||
void IonsFromNeutralVPSSTP::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
||||
void IonsFromNeutralVPSSTP::initThermoXML(XML_Node& phaseNode, const std::string& id_)
|
||||
{
|
||||
string stemp;
|
||||
if (id.size() > 0) {
|
||||
if (id_.size() > 0) {
|
||||
string idp = phaseNode.id();
|
||||
if (idp != id) {
|
||||
if (idp != id_) {
|
||||
throw CanteraError("IonsFromNeutralVPSSTP::initThermoXML",
|
||||
"phasenode and Id are incompatible");
|
||||
}
|
||||
|
|
@ -1129,7 +1128,7 @@ void IonsFromNeutralVPSSTP::initThermoXML(XML_Node& phaseNode, const std::string
|
|||
/*
|
||||
* This includes the setStateFromXML calls
|
||||
*/
|
||||
GibbsExcessVPSSTP::initThermoXML(phaseNode, id);
|
||||
GibbsExcessVPSSTP::initThermoXML(phaseNode, id_);
|
||||
|
||||
/*
|
||||
* There is one extra step here. We assure ourselves that we
|
||||
|
|
@ -1205,11 +1204,11 @@ void IonsFromNeutralVPSSTP::getdlnActCoeffds(const doublereal dTds, const double
|
|||
// static vector_fp dX_NeutralMolecule(numNeutMolSpec);
|
||||
|
||||
|
||||
getNeutralMoleculeMoleGrads(DATA_PTR(dXds),DATA_PTR(dX_NeutralMolecule));
|
||||
getNeutralMoleculeMoleGrads(DATA_PTR(dXds),DATA_PTR(dX_NeutralMolecule_));
|
||||
|
||||
// All mole fractions returned to normal
|
||||
|
||||
geThermo->getdlnActCoeffds(dTds, DATA_PTR(dX_NeutralMolecule), DATA_PTR(dlnActCoeff_NeutralMolecule));
|
||||
geThermo->getdlnActCoeffds(dTds, DATA_PTR(dX_NeutralMolecule_), DATA_PTR(dlnActCoeff_NeutralMolecule_));
|
||||
|
||||
switch (ionSolnType_) {
|
||||
case cIonSolnType_PASSTHROUGH:
|
||||
|
|
@ -1222,7 +1221,7 @@ void IonsFromNeutralVPSSTP::getdlnActCoeffds(const doublereal dTds, const double
|
|||
icat = cationList_[k];
|
||||
jNeut = fm_invert_ionForNeutral[icat];
|
||||
fmij = fm_neutralMolec_ions_[icat + jNeut * m_kk];
|
||||
dlnActCoeffds[icat] = dlnActCoeff_NeutralMolecule[jNeut]/fmij;
|
||||
dlnActCoeffds[icat] = dlnActCoeff_NeutralMolecule_[jNeut]/fmij;
|
||||
}
|
||||
|
||||
// Do the anion list
|
||||
|
|
@ -1234,7 +1233,7 @@ void IonsFromNeutralVPSSTP::getdlnActCoeffds(const doublereal dTds, const double
|
|||
for (size_t k = 0; k < numPassThroughSpecies_; k++) {
|
||||
icat = passThroughList_[k];
|
||||
jNeut = fm_invert_ionForNeutral[icat];
|
||||
dlnActCoeffds[icat] = dlnActCoeff_NeutralMolecule[jNeut];
|
||||
dlnActCoeffds[icat] = dlnActCoeff_NeutralMolecule_[jNeut];
|
||||
}
|
||||
break;
|
||||
|
||||
|
|
|
|||
|
|
@ -62,14 +62,14 @@ LatticePhase::~LatticePhase()
|
|||
{
|
||||
}
|
||||
|
||||
LatticePhase::LatticePhase(const std::string& inputFile, const std::string& id)
|
||||
LatticePhase::LatticePhase(const std::string& inputFile, const std::string& id_)
|
||||
{
|
||||
initThermoFile(inputFile, id);
|
||||
initThermoFile(inputFile, id_);
|
||||
}
|
||||
|
||||
LatticePhase::LatticePhase(XML_Node& phaseRef, const std::string& id)
|
||||
LatticePhase::LatticePhase(XML_Node& phaseRef, const std::string& id_)
|
||||
{
|
||||
importPhase(*findXMLPhase(&phaseRef, id), this);
|
||||
importPhase(*findXMLPhase(&phaseRef, id_), this);
|
||||
}
|
||||
|
||||
ThermoPhase* LatticePhase::duplMyselfAsThermoPhase() const
|
||||
|
|
@ -341,10 +341,10 @@ void LatticePhase::initThermo()
|
|||
ThermoPhase::initThermo();
|
||||
}
|
||||
|
||||
void LatticePhase::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
||||
void LatticePhase::initThermoXML(XML_Node& phaseNode, const std::string& id_)
|
||||
{
|
||||
std::string idattrib = phaseNode.id();
|
||||
if (!id.empty() && id != idattrib) {
|
||||
if (!id_.empty() && id_ != idattrib) {
|
||||
throw CanteraError("LatticePhase::initThermoXML",
|
||||
"ids don't match");
|
||||
}
|
||||
|
|
@ -391,7 +391,7 @@ void LatticePhase::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
|||
* Call the base initThermo, which handles setting the initial
|
||||
* state.
|
||||
*/
|
||||
ThermoPhase::initThermoXML(phaseNode, id);
|
||||
ThermoPhase::initThermoXML(phaseNode, id_);
|
||||
}
|
||||
|
||||
void LatticePhase::_updateThermo() const
|
||||
|
|
|
|||
|
|
@ -29,22 +29,22 @@ MargulesVPSSTP::MargulesVPSSTP() :
|
|||
{
|
||||
}
|
||||
|
||||
MargulesVPSSTP::MargulesVPSSTP(const std::string& inputFile, const std::string& id) :
|
||||
MargulesVPSSTP::MargulesVPSSTP(const std::string& inputFile, const std::string& id_) :
|
||||
GibbsExcessVPSSTP(),
|
||||
numBinaryInteractions_(0),
|
||||
formMargules_(0),
|
||||
formTempModel_(0)
|
||||
{
|
||||
initThermoFile(inputFile, id);
|
||||
initThermoFile(inputFile, id_);
|
||||
}
|
||||
|
||||
MargulesVPSSTP::MargulesVPSSTP(XML_Node& phaseRoot, const std::string& id) :
|
||||
MargulesVPSSTP::MargulesVPSSTP(XML_Node& phaseRoot, const std::string& id_) :
|
||||
GibbsExcessVPSSTP(),
|
||||
numBinaryInteractions_(0),
|
||||
formMargules_(0),
|
||||
formTempModel_(0)
|
||||
{
|
||||
importPhase(*findXMLPhase(&phaseRoot, id), this);
|
||||
importPhase(*findXMLPhase(&phaseRoot, id_), this);
|
||||
}
|
||||
|
||||
MargulesVPSSTP::MargulesVPSSTP(const MargulesVPSSTP& b) :
|
||||
|
|
@ -386,13 +386,13 @@ void MargulesVPSSTP::initLengths()
|
|||
dlnActCoeffdlnN_.resize(m_kk, m_kk);
|
||||
}
|
||||
|
||||
void MargulesVPSSTP::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
||||
void MargulesVPSSTP::initThermoXML(XML_Node& phaseNode, const std::string& id_)
|
||||
{
|
||||
string stemp;
|
||||
string subname = "MargulesVPSSTP::initThermoXML";
|
||||
if ((int) id.size() > 0) {
|
||||
if ((int) id_.size() > 0) {
|
||||
string idp = phaseNode.id();
|
||||
if (idp != id) {
|
||||
if (idp != id_) {
|
||||
throw CanteraError(subname, "phasenode and Id are incompatible");
|
||||
}
|
||||
}
|
||||
|
|
@ -450,7 +450,7 @@ void MargulesVPSSTP::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
|||
/*
|
||||
* Go down the chain
|
||||
*/
|
||||
GibbsExcessVPSSTP::initThermoXML(phaseNode, id);
|
||||
GibbsExcessVPSSTP::initThermoXML(phaseNode, id_);
|
||||
|
||||
|
||||
}
|
||||
|
|
|
|||
|
|
@ -33,7 +33,7 @@ MetalSHEelectrons::MetalSHEelectrons():
|
|||
{
|
||||
}
|
||||
|
||||
MetalSHEelectrons::MetalSHEelectrons(const std::string& infile, std::string id) :
|
||||
MetalSHEelectrons::MetalSHEelectrons(const std::string& infile, std::string id_) :
|
||||
SingleSpeciesTP(),
|
||||
xdef_(0)
|
||||
{
|
||||
|
|
@ -44,13 +44,13 @@ MetalSHEelectrons::MetalSHEelectrons(const std::string& infile, std::string id)
|
|||
} else {
|
||||
root = get_XML_File(infile);
|
||||
}
|
||||
if (id == "-") {
|
||||
id = "";
|
||||
if (id_ == "-") {
|
||||
id_ = "";
|
||||
}
|
||||
XML_Node* xphase = get_XML_NameID("phase", std::string("#")+id, root);
|
||||
XML_Node* xphase = get_XML_NameID("phase", std::string("#")+id_, root);
|
||||
if (!xphase) {
|
||||
throw CanteraError("MetalSHEelectrons::MetalSHEelectrons",
|
||||
"Couldn't find phase name in file:" + id);
|
||||
"Couldn't find phase name in file:" + id_);
|
||||
}
|
||||
// Check the model name to ensure we have compatibility
|
||||
const XML_Node& th = xphase->child("thermo");
|
||||
|
|
@ -62,13 +62,13 @@ MetalSHEelectrons::MetalSHEelectrons(const std::string& infile, std::string id)
|
|||
importPhase(*xphase, this);
|
||||
}
|
||||
|
||||
MetalSHEelectrons::MetalSHEelectrons(XML_Node& xmlphase, const std::string& id) :
|
||||
MetalSHEelectrons::MetalSHEelectrons(XML_Node& xmlphase, const std::string& id_) :
|
||||
SingleSpeciesTP(),
|
||||
xdef_(0)
|
||||
{
|
||||
if (id != "") {
|
||||
if (id_ != "") {
|
||||
std::string idxml = xmlphase["id"];
|
||||
if (id != idxml) {
|
||||
if (id_ != idxml) {
|
||||
throw CanteraError("MetalSHEelectrons::MetalSHEelectrons",
|
||||
"id's don't match");
|
||||
}
|
||||
|
|
@ -236,7 +236,7 @@ void MetalSHEelectrons::initThermo()
|
|||
SingleSpeciesTP::initThermo();
|
||||
}
|
||||
|
||||
void MetalSHEelectrons::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
||||
void MetalSHEelectrons::initThermoXML(XML_Node& phaseNode, const std::string& id_)
|
||||
{
|
||||
/*
|
||||
* Find the Thermo XML node
|
||||
|
|
@ -251,7 +251,7 @@ void MetalSHEelectrons::initThermoXML(XML_Node& phaseNode, const std::string& id
|
|||
dens = ctml::getFloatDefaultUnits(tnode, "density", "kg/m3");
|
||||
}
|
||||
setDensity(dens);
|
||||
SingleSpeciesTP::initThermoXML(phaseNode, id);
|
||||
SingleSpeciesTP::initThermoXML(phaseNode, id_);
|
||||
}
|
||||
|
||||
XML_Node* MetalSHEelectrons::makeDefaultXMLTree()
|
||||
|
|
|
|||
|
|
@ -36,17 +36,17 @@ MineralEQ3::MineralEQ3():
|
|||
{
|
||||
}
|
||||
|
||||
MineralEQ3::MineralEQ3(const std::string& infile, std::string id) :
|
||||
MineralEQ3::MineralEQ3(const std::string& infile, std::string id_) :
|
||||
StoichSubstanceSSTP()
|
||||
{
|
||||
XML_Node* root = get_XML_File(infile);
|
||||
if (id == "-") {
|
||||
id = "";
|
||||
if (id_ == "-") {
|
||||
id_ = "";
|
||||
}
|
||||
XML_Node* xphase = get_XML_NameID("phase", std::string("#")+id, root);
|
||||
XML_Node* xphase = get_XML_NameID("phase", std::string("#")+id_, root);
|
||||
if (!xphase) {
|
||||
throw CanteraError("MineralEQ3::MineralEQ3",
|
||||
"Couldn't find phase name in file:" + id);
|
||||
"Couldn't find phase name in file:" + id_);
|
||||
}
|
||||
// Check the model name to ensure we have compatibility
|
||||
const XML_Node& th = xphase->child("thermo");
|
||||
|
|
@ -58,12 +58,12 @@ MineralEQ3::MineralEQ3(const std::string& infile, std::string id) :
|
|||
importPhase(*xphase, this);
|
||||
}
|
||||
|
||||
MineralEQ3::MineralEQ3(XML_Node& xmlphase, const std::string& id) :
|
||||
MineralEQ3::MineralEQ3(XML_Node& xmlphase, const std::string& id_) :
|
||||
StoichSubstanceSSTP()
|
||||
{
|
||||
if (id != "") {
|
||||
if (id_ != "") {
|
||||
std::string idxml = xmlphase["id"];
|
||||
if (id != idxml) {
|
||||
if (id_ != idxml) {
|
||||
throw CanteraError("MineralEQ3::MineralEQ3",
|
||||
"id's don't match");
|
||||
}
|
||||
|
|
@ -251,7 +251,7 @@ void MineralEQ3::getParameters(int& n, doublereal* const c) const
|
|||
c[0] = rho;
|
||||
}
|
||||
|
||||
void MineralEQ3::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
||||
void MineralEQ3::initThermoXML(XML_Node& phaseNode, const std::string& id_)
|
||||
{
|
||||
/*
|
||||
* Find the Thermo XML node
|
||||
|
|
|
|||
|
|
@ -32,23 +32,23 @@ MixedSolventElectrolyte::MixedSolventElectrolyte() :
|
|||
}
|
||||
|
||||
MixedSolventElectrolyte::MixedSolventElectrolyte(const std::string& inputFile,
|
||||
const std::string& id) :
|
||||
const std::string& id_) :
|
||||
MolarityIonicVPSSTP(),
|
||||
numBinaryInteractions_(0),
|
||||
formMargules_(0),
|
||||
formTempModel_(0)
|
||||
{
|
||||
initThermoFile(inputFile, id);
|
||||
initThermoFile(inputFile, id_);
|
||||
}
|
||||
|
||||
MixedSolventElectrolyte::MixedSolventElectrolyte(XML_Node& phaseRoot,
|
||||
const std::string& id) :
|
||||
const std::string& id_) :
|
||||
MolarityIonicVPSSTP(),
|
||||
numBinaryInteractions_(0),
|
||||
formMargules_(0),
|
||||
formTempModel_(0)
|
||||
{
|
||||
importPhase(*findXMLPhase(&phaseRoot, id), this);
|
||||
importPhase(*findXMLPhase(&phaseRoot, id_), this);
|
||||
}
|
||||
|
||||
MixedSolventElectrolyte::MixedSolventElectrolyte(const MixedSolventElectrolyte& b) :
|
||||
|
|
@ -392,14 +392,14 @@ void MixedSolventElectrolyte::initLengths()
|
|||
dlnActCoeffdlnN_.resize(m_kk, m_kk);
|
||||
}
|
||||
|
||||
void MixedSolventElectrolyte::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
||||
void MixedSolventElectrolyte::initThermoXML(XML_Node& phaseNode, const std::string& id_)
|
||||
{
|
||||
string subname = "MixedSolventElectrolyte::initThermoXML";
|
||||
string stemp;
|
||||
|
||||
if ((int) id.size() > 0) {
|
||||
if ((int) id_.size() > 0) {
|
||||
string idp = phaseNode.id();
|
||||
if (idp != id) {
|
||||
if (idp != id_) {
|
||||
throw CanteraError(subname, "phasenode and Id are incompatible");
|
||||
}
|
||||
}
|
||||
|
|
@ -414,7 +414,7 @@ void MixedSolventElectrolyte::initThermoXML(XML_Node& phaseNode, const std::stri
|
|||
XML_Node& thermoNode = phaseNode.child("thermo");
|
||||
string mStringa = thermoNode.attrib("model");
|
||||
string mString = lowercase(mStringa);
|
||||
if (mString != "MixedSolventElectrolyte") {
|
||||
if (mString != "mixedsolventelectrolyte") {
|
||||
throw CanteraError(subname, "Unknown thermo model: " + mStringa);
|
||||
}
|
||||
|
||||
|
|
@ -452,7 +452,7 @@ void MixedSolventElectrolyte::initThermoXML(XML_Node& phaseNode, const std::stri
|
|||
/*
|
||||
* Go down the chain
|
||||
*/
|
||||
MolarityIonicVPSSTP::initThermoXML(phaseNode, id);
|
||||
MolarityIonicVPSSTP::initThermoXML(phaseNode, id_);
|
||||
|
||||
|
||||
}
|
||||
|
|
|
|||
|
|
@ -532,14 +532,14 @@ void PDSS::err(const std::string& msg) const
|
|||
|
||||
void PDSS::reportParams(size_t& kindex, int& type,
|
||||
doublereal* const c,
|
||||
doublereal& minTemp,
|
||||
doublereal& maxTemp,
|
||||
doublereal& refPressure) const
|
||||
doublereal& minTemp_,
|
||||
doublereal& maxTemp_,
|
||||
doublereal& refPressure_) const
|
||||
{
|
||||
kindex = m_spindex;
|
||||
type = m_pdssType;
|
||||
minTemp = m_minTemp;
|
||||
maxTemp = m_maxTemp;
|
||||
refPressure = m_p0;
|
||||
minTemp_ = m_minTemp;
|
||||
maxTemp_ = m_maxTemp;
|
||||
refPressure_ = m_p0;
|
||||
}
|
||||
}
|
||||
|
|
|
|||
|
|
@ -1272,14 +1272,14 @@ void PDSS_HKFT::convertDGFormation()
|
|||
*/
|
||||
void PDSS_HKFT::reportParams(size_t& kindex, int& type,
|
||||
doublereal* const c,
|
||||
doublereal& minTemp,
|
||||
doublereal& maxTemp,
|
||||
doublereal& refPressure) const
|
||||
doublereal& minTemp_,
|
||||
doublereal& maxTemp_,
|
||||
doublereal& refPressure_) const
|
||||
{
|
||||
|
||||
// Fill in the first part
|
||||
PDSS::reportParams(kindex, type, c, minTemp, maxTemp,
|
||||
refPressure);
|
||||
PDSS::reportParams(kindex, type, c, minTemp_, maxTemp_,
|
||||
refPressure_);
|
||||
|
||||
|
||||
c[0] = m_deltaG_formation_tr_pr;
|
||||
|
|
|
|||
|
|
@ -834,11 +834,11 @@ size_t Phase::addUniqueElementAfterFreeze(const std::string& symbol,
|
|||
}
|
||||
|
||||
void Phase::addSpecies(const std::string& name, const doublereal* comp,
|
||||
doublereal charge, doublereal size)
|
||||
doublereal charge_, doublereal size)
|
||||
{
|
||||
freezeElements();
|
||||
m_speciesNames.push_back(name);
|
||||
m_speciesCharge.push_back(charge);
|
||||
m_speciesCharge.push_back(charge_);
|
||||
m_speciesSize.push_back(size);
|
||||
size_t ne = nElements();
|
||||
// Create a changeable copy of the element composition. We now change
|
||||
|
|
@ -849,11 +849,11 @@ void Phase::addSpecies(const std::string& name, const doublereal* comp,
|
|||
}
|
||||
double wt = 0.0;
|
||||
const vector_fp& aw = atomicWeights();
|
||||
if (charge != 0.0) {
|
||||
if (charge_ != 0.0) {
|
||||
size_t eindex = elementIndex("E");
|
||||
if (eindex != npos) {
|
||||
doublereal ecomp = compNew[eindex];
|
||||
if (fabs(charge + ecomp) > 0.001) {
|
||||
if (fabs(charge_ + ecomp) > 0.001) {
|
||||
if (ecomp != 0.0) {
|
||||
throw CanteraError("Phase::addSpecies",
|
||||
"Input charge and element E compositions differ "
|
||||
|
|
@ -861,7 +861,7 @@ void Phase::addSpecies(const std::string& name, const doublereal* comp,
|
|||
} else {
|
||||
// Just fix up the element E composition based on the input
|
||||
// species charge
|
||||
compNew[eindex] = -charge;
|
||||
compNew[eindex] = -charge_;
|
||||
}
|
||||
}
|
||||
} else {
|
||||
|
|
@ -870,7 +870,7 @@ void Phase::addSpecies(const std::string& name, const doublereal* comp,
|
|||
ne = nElements();
|
||||
eindex = elementIndex("E");
|
||||
compNew.resize(ne);
|
||||
compNew[ne - 1] = - charge;
|
||||
compNew[ne - 1] = - charge_;
|
||||
}
|
||||
}
|
||||
for (size_t m = 0; m < ne; m++) {
|
||||
|
|
@ -882,7 +882,7 @@ void Phase::addSpecies(const std::string& name, const doublereal* comp,
|
|||
}
|
||||
|
||||
void Phase::addUniqueSpecies(const std::string& name, const doublereal* comp,
|
||||
doublereal charge, doublereal size)
|
||||
doublereal charge_, doublereal size)
|
||||
{
|
||||
for (size_t k = 0; k < m_kk; k++) {
|
||||
if (m_speciesNames[k] == name) {
|
||||
|
|
@ -894,7 +894,7 @@ void Phase::addUniqueSpecies(const std::string& name, const doublereal* comp,
|
|||
"compositions: " + name);
|
||||
}
|
||||
}
|
||||
if (charge != m_speciesCharge[k]) {
|
||||
if (charge_ != m_speciesCharge[k]) {
|
||||
throw CanteraError("addUniqueSpecies",
|
||||
"Duplicate species have different "
|
||||
"charges: " + name);
|
||||
|
|
@ -907,7 +907,7 @@ void Phase::addUniqueSpecies(const std::string& name, const doublereal* comp,
|
|||
return;
|
||||
}
|
||||
}
|
||||
addSpecies(name, comp, charge, size);
|
||||
addSpecies(name, comp, charge_, size);
|
||||
}
|
||||
|
||||
void Phase::freezeSpecies()
|
||||
|
|
|
|||
Loading…
Add table
Reference in a new issue