Remove newline after '::' in member function definitions
This inconsistency makes it hard to directly search the code for a specific member function definition.
This commit is contained in:
parent
90c2d58973
commit
95eb7ab3ba
54 changed files with 306 additions and 466 deletions
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@ -608,9 +608,8 @@ void XML_Node::_require(const std::string& a, const std::string& v) const
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throw CanteraError("XML_Node::require", msg);
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}
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XML_Node* XML_Node::
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findNameID(const std::string& nameTarget,
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const std::string& idTarget) const
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XML_Node* XML_Node::findNameID(const std::string& nameTarget,
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const std::string& idTarget) const
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{
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XML_Node* scResult = 0;
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XML_Node* sc;
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@ -74,8 +74,7 @@ MultiPhase& MultiPhase::operator=(const MultiPhase& right)
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return *this;
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}
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void MultiPhase::
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addPhases(MultiPhase& mix)
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void MultiPhase::addPhases(MultiPhase& mix)
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{
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size_t n;
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for (n = 0; n < mix.m_np; n++) {
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@ -83,8 +82,8 @@ addPhases(MultiPhase& mix)
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}
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}
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void MultiPhase::
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addPhases(std::vector<ThermoPhase*>& phases, const vector_fp& phaseMoles)
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void MultiPhase::addPhases(std::vector<ThermoPhase*>& phases,
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const vector_fp& phaseMoles)
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{
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size_t np = phases.size();
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size_t n;
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@ -94,8 +93,7 @@ addPhases(std::vector<ThermoPhase*>& phases, const vector_fp& phaseMoles)
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init();
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}
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void MultiPhase::
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addPhase(ThermoPhase* p, doublereal moles)
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void MultiPhase::addPhase(ThermoPhase* p, doublereal moles)
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{
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if (m_init) {
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throw CanteraError("addPhase",
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@ -470,8 +470,7 @@ void MultiPhaseEquil::step(doublereal omega, vector_fp& deltaN,
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updateMixMoles();
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}
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doublereal MultiPhaseEquil::
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stepComposition(int loglevel)
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doublereal MultiPhaseEquil::stepComposition(int loglevel)
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{
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m_iter++;
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size_t ik, k = 0;
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@ -153,8 +153,8 @@ double VCS_SPECIES_THERMO::GStar_R_calc(size_t kglob, double TKelvin,
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return fe;
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}
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double VCS_SPECIES_THERMO::
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VolStar_calc(size_t kglob, double TKelvin, double presPA)
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double VCS_SPECIES_THERMO::VolStar_calc(size_t kglob, double TKelvin,
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double presPA)
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{
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char yo[] = "VCS_SPECIES_THERMO::VStar_calc ";
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double vol, T;
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@ -100,11 +100,13 @@ Kinetics* AqueousKinetics::duplMyselfAsKinetics(const std::vector<thermo_t*> & t
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return gK;
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}
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void AqueousKinetics::
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update_T() {}
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void AqueousKinetics::update_T()
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{
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}
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void AqueousKinetics::
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update_C() {}
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void AqueousKinetics::update_C()
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{
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}
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void AqueousKinetics::_update_rates_T()
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{
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@ -117,8 +119,7 @@ void AqueousKinetics::_update_rates_T()
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m_ROP_ok = false;
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}
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void AqueousKinetics::
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_update_rates_C()
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void AqueousKinetics::_update_rates_C()
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{
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thermo().getActivityConcentrations(&m_conc[0]);
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@ -312,8 +313,7 @@ void AqueousKinetics::updateROP()
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m_ROP_ok = true;
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}
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void AqueousKinetics::
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getFwdRateConstants(doublereal* kfwd)
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void AqueousKinetics::getFwdRateConstants(doublereal* kfwd)
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{
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_update_rates_T();
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_update_rates_C();
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@ -329,8 +329,8 @@ getFwdRateConstants(doublereal* kfwd)
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}
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}
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void AqueousKinetics::
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getRevRateConstants(doublereal* krev, bool doIrreversible)
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void AqueousKinetics::getRevRateConstants(doublereal* krev,
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bool doIrreversible)
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{
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/*
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* go get the forward rate constants. -> note, we don't
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@ -17,8 +17,7 @@ using namespace std;
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namespace Cantera
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{
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GasKinetics::
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GasKinetics(thermo_t* thermo) :
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GasKinetics::GasKinetics(thermo_t* thermo) :
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Kinetics(),
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m_nfall(0),
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m_nirrev(0),
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@ -427,8 +426,7 @@ void GasKinetics::updateROP()
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m_ROP_ok = true;
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}
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void GasKinetics::
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getFwdRateConstants(doublereal* kfwd)
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void GasKinetics::getFwdRateConstants(doublereal* kfwd)
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{
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update_rates_C();
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update_rates_T();
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@ -457,8 +455,7 @@ getFwdRateConstants(doublereal* kfwd)
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}
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}
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void GasKinetics::
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getRevRateConstants(doublereal* krev, bool doIrreversible)
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void GasKinetics::getRevRateConstants(doublereal* krev, bool doIrreversible)
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{
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/*
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* go get the forward rate constants. -> note, we don't
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@ -480,8 +477,7 @@ getRevRateConstants(doublereal* krev, bool doIrreversible)
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}
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}
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void GasKinetics::
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addReaction(ReactionData& r)
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void GasKinetics::addReaction(ReactionData& r)
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{
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switch (r.reactionType) {
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case ELEMENTARY_RXN:
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@ -512,8 +508,7 @@ addReaction(ReactionData& r)
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m_rxntype.push_back(r.reactionType);
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}
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void GasKinetics::
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addFalloffReaction(ReactionData& r)
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void GasKinetics::addFalloffReaction(ReactionData& r)
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{
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// install high and low rate coeff calculators
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// and add constant terms to high and low rate coeff value vectors
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@ -550,8 +545,7 @@ addFalloffReaction(ReactionData& r)
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registerReaction(reactionNumber(), r.reactionType, iloc);
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}
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void GasKinetics::
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addElementaryReaction(ReactionData& r)
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void GasKinetics::addElementaryReaction(ReactionData& r)
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{
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// install rate coeff calculator
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size_t iloc = m_rates.install(reactionNumber(), r);
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@ -564,8 +558,7 @@ addElementaryReaction(ReactionData& r)
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registerReaction(reactionNumber(), ELEMENTARY_RXN, iloc);
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}
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void GasKinetics::
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addThreeBodyReaction(ReactionData& r)
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void GasKinetics::addThreeBodyReaction(ReactionData& r)
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{
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// install rate coeff calculator
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size_t iloc = m_rates.install(reactionNumber(), r);
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@ -298,8 +298,7 @@ void ImplicitSurfChem::setConcSpecies(const doublereal* const vecConcSpecies)
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}
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}
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void ImplicitSurfChem::
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setCommonState_TP(doublereal TKelvin, doublereal PresPa)
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void ImplicitSurfChem::setCommonState_TP(doublereal TKelvin, doublereal PresPa)
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{
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for (size_t ip = 0; ip < m_nsurf; ip++) {
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ThermoPhase* TP_ptr = m_surf[ip];
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@ -91,8 +91,7 @@ InterfaceKinetics::InterfaceKinetics(const InterfaceKinetics& right) :
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*this = operator=(right);
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}
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InterfaceKinetics& InterfaceKinetics::
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operator=(const InterfaceKinetics& right)
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InterfaceKinetics& InterfaceKinetics::operator=(const InterfaceKinetics& right)
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{
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/*
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* Check for self assignment.
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@ -1031,8 +1030,7 @@ bool InterfaceKinetics::ready() const
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return m_finalized;
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}
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void InterfaceKinetics::
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advanceCoverages(doublereal tstep)
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void InterfaceKinetics::advanceCoverages(doublereal tstep)
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{
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if (m_integrator == 0) {
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vector<InterfaceKinetics*> k;
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@ -1045,8 +1043,8 @@ advanceCoverages(doublereal tstep)
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m_integrator = 0;
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}
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void InterfaceKinetics::
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solvePseudoSteadyStateProblem(int ifuncOverride, doublereal timeScaleOverride)
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void InterfaceKinetics::solvePseudoSteadyStateProblem(
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int ifuncOverride, doublereal timeScaleOverride)
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{
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// create our own solver object
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if (m_integrator == 0) {
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@ -58,8 +58,7 @@ Kinetics::Kinetics(const Kinetics& right) :
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*this = right;
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}
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Kinetics& Kinetics::
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operator=(const Kinetics& right)
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Kinetics& Kinetics::operator=(const Kinetics& right)
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{
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/*
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* Check for self assignment.
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@ -23,8 +23,8 @@ static int ntypes = 5;
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static string _types[] = {"none", "GasKinetics", "Interface", "Edge", "AqueousKinetics"};
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static int _itypes[] = {0, cGasKinetics, cInterfaceKinetics, cEdgeKinetics, cAqueousKinetics};
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Kinetics* KineticsFactory::
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newKinetics(XML_Node& phaseData, vector<ThermoPhase*> th)
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Kinetics* KineticsFactory::newKinetics(XML_Node& phaseData,
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vector<ThermoPhase*> th)
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{
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/*
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* Look for a child of the xml element phase called
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@ -46,10 +46,9 @@ ReactionStoichMgr& ReactionStoichMgr::operator=(const ReactionStoichMgr& right)
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return *this;
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}
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void ReactionStoichMgr::
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add(size_t rxn, const std::vector<size_t>& reactants,
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const std::vector<size_t>& products,
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bool reversible)
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void ReactionStoichMgr::add(size_t rxn, const std::vector<size_t>& reactants,
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const std::vector<size_t>& products,
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bool reversible)
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{
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m_reactants.add(rxn, reactants);
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@ -61,8 +60,7 @@ add(size_t rxn, const std::vector<size_t>& reactants,
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}
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}
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void ReactionStoichMgr::
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add(size_t rxn, const ReactionData& r)
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void ReactionStoichMgr::add(size_t rxn, const ReactionData& r)
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{
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std::vector<size_t> rk;
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@ -118,9 +116,8 @@ add(size_t rxn, const ReactionData& r)
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}
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}
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void ReactionStoichMgr::
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getCreationRates(size_t nsp, const doublereal* ropf,
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const doublereal* ropr, doublereal* c)
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void ReactionStoichMgr::getCreationRates(size_t nsp, const doublereal* ropf,
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const doublereal* ropr, doublereal* c)
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{
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// zero out the output array
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fill(c, c + nsp, 0.0);
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@ -133,9 +130,9 @@ getCreationRates(size_t nsp, const doublereal* ropf,
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m_reactants.incrementSpecies(ropr, c);
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}
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void ReactionStoichMgr::
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getDestructionRates(size_t nsp, const doublereal* ropf,
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const doublereal* ropr, doublereal* d)
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void ReactionStoichMgr::getDestructionRates(size_t nsp, const doublereal* ropf,
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const doublereal* ropr,
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doublereal* d)
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{
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fill(d, d + nsp, 0.0);
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// the reverse direction destroys products in reversible reactions
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@ -144,8 +141,9 @@ getDestructionRates(size_t nsp, const doublereal* ropf,
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m_reactants.incrementSpecies(ropf, d);
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}
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void ReactionStoichMgr::
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getNetProductionRates(size_t nsp, const doublereal* ropnet, doublereal* w)
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void ReactionStoichMgr::getNetProductionRates(size_t nsp,
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const doublereal* ropnet,
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doublereal* w)
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{
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fill(w, w + nsp, 0.0);
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// products are created for positive net rate of progress
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@ -155,8 +153,8 @@ getNetProductionRates(size_t nsp, const doublereal* ropnet, doublereal* w)
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m_reactants.decrementSpecies(ropnet, w);
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}
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void ReactionStoichMgr::
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getReactionDelta(size_t nr, const doublereal* g, doublereal* dg)
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void ReactionStoichMgr::getReactionDelta(size_t nr, const doublereal* g,
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doublereal* dg)
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{
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fill(dg, dg + nr, 0.0);
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// products add
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@ -166,28 +164,25 @@ getReactionDelta(size_t nr, const doublereal* g, doublereal* dg)
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m_reactants.decrementReactions(g, dg);
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}
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void ReactionStoichMgr::
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getRevReactionDelta(size_t nr, const doublereal* g, doublereal* dg)
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void ReactionStoichMgr::getRevReactionDelta(size_t nr, const doublereal* g,
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doublereal* dg)
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{
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fill(dg, dg + nr, 0.0);
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m_revproducts.incrementReactions(g, dg);
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m_reactants.decrementReactions(g, dg);
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}
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void ReactionStoichMgr::
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multiplyReactants(const doublereal* c, doublereal* r)
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void ReactionStoichMgr::multiplyReactants(const doublereal* c, doublereal* r)
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{
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m_reactants.multiply(c, r);
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}
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void ReactionStoichMgr::
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multiplyRevProducts(const doublereal* c, doublereal* r)
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void ReactionStoichMgr::multiplyRevProducts(const doublereal* c, doublereal* r)
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{
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m_revproducts.multiply(c, r);
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}
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void ReactionStoichMgr::
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write(const string& filename)
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void ReactionStoichMgr::write(const string& filename)
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{
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ofstream f(filename.c_str());
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f << "namespace mech {" << endl;
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@ -200,8 +195,7 @@ write(const string& filename)
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f.close();
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}
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void ReactionStoichMgr::
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writeCreationRates(ostream& f)
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void ReactionStoichMgr::writeCreationRates(ostream& f)
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{
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f << " void getCreationRates(const doublereal* rf, const doublereal* rb," << endl;
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f << " doublereal* c) {" << endl;
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@ -218,8 +212,7 @@ writeCreationRates(ostream& f)
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f << " }" << endl << endl << endl;
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}
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void ReactionStoichMgr::
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writeDestructionRates(ostream& f)
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void ReactionStoichMgr::writeDestructionRates(ostream& f)
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{
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f << " void getDestructionRates(const doublereal* rf, const doublereal* rb," << endl;
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f << " doublereal* d) {" << endl;
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@ -235,8 +228,7 @@ writeDestructionRates(ostream& f)
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f << " }" << endl << endl << endl;
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}
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void ReactionStoichMgr::
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writeNetProductionRates(ostream& f)
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void ReactionStoichMgr::writeNetProductionRates(ostream& f)
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{
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f << " void getNetProductionRates(const doublereal* r, doublereal* w) {" << endl;
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map<size_t, string> out;
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@ -252,8 +244,7 @@ writeNetProductionRates(ostream& f)
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f << " }" << endl << endl << endl;
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}
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void ReactionStoichMgr::
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writeMultiplyReactants(ostream& f)
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void ReactionStoichMgr::writeMultiplyReactants(ostream& f)
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{
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f << " void multiplyReactants(const doublereal* c, doublereal* r) {" << endl;
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map<size_t, string> out;
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@ -266,8 +257,7 @@ writeMultiplyReactants(ostream& f)
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f << " }" << endl << endl << endl;
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}
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void ReactionStoichMgr::
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writeMultiplyRevProducts(ostream& f)
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void ReactionStoichMgr::writeMultiplyRevProducts(ostream& f)
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{
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f << " void multiplyRevProducts(const doublereal* c, doublereal* r) {" << endl;
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map<size_t, string> out;
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@ -754,9 +754,10 @@ void solveSP::calcWeights(doublereal wtSpecies[], doublereal wtResid[],
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}
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}
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doublereal solveSP::
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calc_t(doublereal netProdRateSolnSP[], doublereal XMolSolnSP[],
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int* label, int* label_old, doublereal* label_factor, int ioflag)
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doublereal solveSP::calc_t(doublereal netProdRateSolnSP[],
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doublereal XMolSolnSP[],
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int* label, int* label_old,
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doublereal* label_factor, int ioflag)
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{
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size_t k, isp, nsp, kstart;
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doublereal inv_timeScale = 1.0E-10;
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@ -653,8 +653,7 @@ void BEulerInt::calc_y_pred(int order)
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}
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void BEulerInt::
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calc_ydot(int order, double* y_curr, double* ydot_curr)
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void BEulerInt::calc_ydot(int order, double* y_curr, double* ydot_curr)
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{
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int i;
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double c1;
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@ -1928,16 +1927,15 @@ done:
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return m;
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}
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void BEulerInt::
|
||||
print_solnDelta_norm_contrib(const double* const solnDelta0,
|
||||
const char* const s0,
|
||||
const double* const solnDelta1,
|
||||
const char* const s1,
|
||||
const char* const title,
|
||||
const double* const y0,
|
||||
const double* const y1,
|
||||
double damp,
|
||||
int num_entries)
|
||||
void BEulerInt::print_solnDelta_norm_contrib(const double* const solnDelta0,
|
||||
const char* const s0,
|
||||
const double* const solnDelta1,
|
||||
const char* const s1,
|
||||
const char* const title,
|
||||
const double* const y0,
|
||||
const double* const y1,
|
||||
double damp,
|
||||
int num_entries)
|
||||
{
|
||||
int i, j, jnum;
|
||||
bool used;
|
||||
|
|
|
|||
|
|
@ -3240,23 +3240,22 @@ done:
|
|||
return retnCode;
|
||||
}
|
||||
|
||||
void NonlinearSolver::
|
||||
setPreviousTimeStep(const std::vector<doublereal>& y_nm1, const std::vector<doublereal>& ydot_nm1)
|
||||
void NonlinearSolver::setPreviousTimeStep(const std::vector<doublereal>& y_nm1,
|
||||
const std::vector<doublereal>& ydot_nm1)
|
||||
{
|
||||
m_y_nm1 = y_nm1;
|
||||
m_ydot_nm1 = ydot_nm1;
|
||||
}
|
||||
|
||||
void NonlinearSolver::
|
||||
print_solnDelta_norm_contrib(const doublereal* const step_1,
|
||||
const char* const stepNorm_1,
|
||||
const doublereal* const step_2,
|
||||
const char* const stepNorm_2,
|
||||
const char* const title,
|
||||
const doublereal* const y_n_curr,
|
||||
const doublereal* const y_n_1,
|
||||
doublereal damp,
|
||||
size_t num_entries)
|
||||
void NonlinearSolver::print_solnDelta_norm_contrib(const doublereal* const step_1,
|
||||
const char* const stepNorm_1,
|
||||
const doublereal* const step_2,
|
||||
const char* const stepNorm_2,
|
||||
const char* const title,
|
||||
const doublereal* const y_n_curr,
|
||||
const doublereal* const y_n_1,
|
||||
doublereal damp,
|
||||
size_t num_entries)
|
||||
{
|
||||
bool used;
|
||||
doublereal dmax0, dmax1, error, rel_norm;
|
||||
|
|
@ -3608,8 +3607,9 @@ int NonlinearSolver::beuler_jac(GeneralMatrix& J, doublereal* const f,
|
|||
return retn;
|
||||
}
|
||||
|
||||
void NonlinearSolver::
|
||||
calc_ydot(const int order, const doublereal* const y_curr, doublereal* const ydot_curr) const
|
||||
void NonlinearSolver::calc_ydot(const int order,
|
||||
const doublereal* const y_curr,
|
||||
doublereal* const ydot_curr) const
|
||||
{
|
||||
if (!ydot_curr) {
|
||||
return;
|
||||
|
|
|
|||
|
|
@ -61,8 +61,8 @@ void ResidJacEval::setAtol(doublereal atol)
|
|||
}
|
||||
}
|
||||
|
||||
int ResidJacEval::
|
||||
getInitialConditions(doublereal t0, doublereal* const y, doublereal* const ydot)
|
||||
int ResidJacEval::getInitialConditions(doublereal t0, doublereal* const y,
|
||||
doublereal* const ydot)
|
||||
{
|
||||
for (int i = 0; i < neq_; i++) {
|
||||
y[i] = 0.0;
|
||||
|
|
@ -75,30 +75,31 @@ getInitialConditions(doublereal t0, doublereal* const y, doublereal* const ydot)
|
|||
return 1;
|
||||
}
|
||||
|
||||
void ResidJacEval::
|
||||
user_out2(const int ifunc, const doublereal t, const doublereal deltaT,
|
||||
const doublereal* y, const doublereal* ydot)
|
||||
void ResidJacEval::user_out2(const int ifunc, const doublereal t,
|
||||
const doublereal deltaT, const doublereal* y,
|
||||
const doublereal* ydot)
|
||||
{
|
||||
}
|
||||
|
||||
void ResidJacEval::
|
||||
user_out(const int ifunc, const doublereal t,
|
||||
const doublereal* y, const doublereal* ydot)
|
||||
void ResidJacEval::user_out(const int ifunc, const doublereal t,
|
||||
const doublereal* y, const doublereal* ydot)
|
||||
{
|
||||
user_out2(ifunc, t, 0.0, y, ydot);
|
||||
}
|
||||
|
||||
int ResidJacEval::
|
||||
evalTimeTrackingEqns(const doublereal t, const doublereal delta_t, const doublereal* y,
|
||||
const doublereal* ydot)
|
||||
int ResidJacEval::evalTimeTrackingEqns(const doublereal t,
|
||||
const doublereal delta_t,
|
||||
const doublereal* y,
|
||||
const doublereal* ydot)
|
||||
{
|
||||
return 1;
|
||||
}
|
||||
|
||||
int ResidJacEval::
|
||||
calcDeltaSolnVariables(const doublereal t, const doublereal* const ySoln,
|
||||
const doublereal* const ySolnDot, doublereal* const deltaYSoln,
|
||||
const doublereal* const solnWeights)
|
||||
int ResidJacEval::calcDeltaSolnVariables(const doublereal t,
|
||||
const doublereal* const ySoln,
|
||||
const doublereal* const ySolnDot,
|
||||
doublereal* const deltaYSoln,
|
||||
const doublereal* const solnWeights)
|
||||
{
|
||||
if (!solnWeights) {
|
||||
for (int i = 0; i < neq_; i++) {
|
||||
|
|
@ -112,9 +113,10 @@ calcDeltaSolnVariables(const doublereal t, const doublereal* const ySoln,
|
|||
return 1;
|
||||
}
|
||||
|
||||
void ResidJacEval::
|
||||
calcSolnScales(const doublereal t, const doublereal* const ysoln, const doublereal* const ysolnOld,
|
||||
doublereal* const ysolnScales)
|
||||
void ResidJacEval::calcSolnScales(const doublereal t,
|
||||
const doublereal* const ysoln,
|
||||
const doublereal* const ysolnOld,
|
||||
doublereal* const ysolnScales)
|
||||
{
|
||||
if (ysolnScales) {
|
||||
if (ysolnScales[0] == 0.0) {
|
||||
|
|
@ -135,25 +137,25 @@ doublereal ResidJacEval::filterSolnPrediction(doublereal t, doublereal* const y)
|
|||
return 0.0;
|
||||
}
|
||||
|
||||
bool ResidJacEval::
|
||||
evalStoppingCritera(const doublereal t,
|
||||
const doublereal delta_t,
|
||||
const doublereal* const y,
|
||||
const doublereal* const ydot)
|
||||
bool ResidJacEval::evalStoppingCritera(const doublereal t,
|
||||
const doublereal delta_t,
|
||||
const doublereal* const y,
|
||||
const doublereal* const ydot)
|
||||
{
|
||||
return false;
|
||||
}
|
||||
|
||||
int ResidJacEval::
|
||||
matrixConditioning(doublereal* const matrix, const int nrows, doublereal* const rhs)
|
||||
int ResidJacEval::matrixConditioning(doublereal* const matrix, const int nrows,
|
||||
doublereal* const rhs)
|
||||
{
|
||||
return 1;
|
||||
}
|
||||
|
||||
int ResidJacEval::
|
||||
evalResidNJ(const doublereal t, const doublereal deltaT, const doublereal* y,
|
||||
const doublereal* ydot, doublereal* const resid, const ResidEval_Type_Enum evalType,
|
||||
const int id_x, const doublereal delta_x)
|
||||
int ResidJacEval::evalResidNJ(const doublereal t, const doublereal deltaT,
|
||||
const doublereal* y, const doublereal* ydot,
|
||||
doublereal* const resid,
|
||||
const ResidEval_Type_Enum evalType,
|
||||
const int id_x, const doublereal delta_x)
|
||||
{
|
||||
throw CanteraError("ResidJacEval::evalResidNJ()", "Not implemented\n");
|
||||
return 1;
|
||||
|
|
@ -166,24 +168,21 @@ int ResidJacEval::eval(const doublereal t, const doublereal* const y, const doub
|
|||
return evalResidNJ(t, deltaT, y, ydot, r);
|
||||
}
|
||||
|
||||
int ResidJacEval::
|
||||
evalJacobian(const doublereal t, const doublereal delta_t, doublereal cj,
|
||||
const doublereal* const y,
|
||||
const doublereal* const ydot,
|
||||
GeneralMatrix& J,
|
||||
doublereal* const resid)
|
||||
int ResidJacEval::evalJacobian(const doublereal t, const doublereal delta_t,
|
||||
doublereal cj, const doublereal* const y,
|
||||
const doublereal* const ydot, GeneralMatrix& J,
|
||||
doublereal* const resid)
|
||||
{
|
||||
doublereal* const* jac_colPts = J.colPts();
|
||||
return evalJacobianDP(t, delta_t, cj, y, ydot, jac_colPts, resid);
|
||||
}
|
||||
|
||||
int ResidJacEval::
|
||||
evalJacobianDP(const doublereal t, const doublereal delta_t,
|
||||
const doublereal c_j,
|
||||
const doublereal* const y,
|
||||
const doublereal* const ydot,
|
||||
doublereal* const* jac_colPts,
|
||||
doublereal* const resid)
|
||||
int ResidJacEval::evalJacobianDP(const doublereal t, const doublereal delta_t,
|
||||
const doublereal c_j,
|
||||
const doublereal* const y,
|
||||
const doublereal* const ydot,
|
||||
doublereal* const* jac_colPts,
|
||||
doublereal* const resid)
|
||||
{
|
||||
throw CanteraError("ResidJacEval::evalJacobianDP()", "Not implemented\n");
|
||||
return 1;
|
||||
|
|
|
|||
|
|
@ -547,9 +547,9 @@ void solveProb::calcWeights(doublereal wtSpecies[], doublereal wtResid[],
|
|||
}
|
||||
}
|
||||
|
||||
doublereal solveProb::
|
||||
calc_t(doublereal netProdRateSolnSP[], doublereal Csoln[],
|
||||
size_t* label, size_t* label_old, doublereal* label_factor, int ioflag)
|
||||
doublereal solveProb::calc_t(doublereal netProdRateSolnSP[], doublereal Csoln[],
|
||||
size_t* label, size_t* label_old,
|
||||
doublereal* label_factor, int ioflag)
|
||||
{
|
||||
doublereal tmp, inv_timeScale=0.0;
|
||||
for (size_t k = 0; k < m_neq; k++) {
|
||||
|
|
@ -892,9 +892,9 @@ void solveProb::printFinal(int ioflag, doublereal damp, size_t label_d, size_t l
|
|||
}
|
||||
|
||||
#ifdef DEBUG_SOLVEPROB
|
||||
void solveProb::
|
||||
printIterationHeader(int ioflag, doublereal damp,doublereal inv_t, doublereal t_real,
|
||||
int iter, bool do_time)
|
||||
void solveProb::printIterationHeader(int ioflag, doublereal damp,
|
||||
doublereal inv_t, doublereal t_real,
|
||||
int iter, bool do_time)
|
||||
{
|
||||
if (ioflag > 1) {
|
||||
printf("\n===============================Iteration %5d "
|
||||
|
|
|
|||
|
|
@ -49,9 +49,8 @@ void Domain1D::needJacUpdate()
|
|||
}
|
||||
}
|
||||
|
||||
void Domain1D::
|
||||
eval(size_t jg, doublereal* xg, doublereal* rg,
|
||||
integer* mask, doublereal rdt)
|
||||
void Domain1D::eval(size_t jg, doublereal* xg, doublereal* rg,
|
||||
integer* mask, doublereal rdt)
|
||||
{
|
||||
|
||||
if (jg != npos && (jg + 1 < firstPoint() || jg > lastPoint() + 1)) {
|
||||
|
|
|
|||
|
|
@ -23,8 +23,7 @@ Bdry1D::Bdry1D() : Domain1D(1, 1, 0.0),
|
|||
m_type = cConnectorType;
|
||||
}
|
||||
|
||||
void Bdry1D::
|
||||
_init(size_t n)
|
||||
void Bdry1D::_init(size_t n)
|
||||
{
|
||||
if (m_index == npos) {
|
||||
throw CanteraError("Bdry1D",
|
||||
|
|
@ -76,8 +75,7 @@ _init(size_t n)
|
|||
// Inlet1D methods
|
||||
//----------------------------------------------------------
|
||||
|
||||
void Inlet1D::
|
||||
setMoleFractions(const std::string& xin)
|
||||
void Inlet1D::setMoleFractions(const std::string& xin)
|
||||
{
|
||||
m_xstr = xin;
|
||||
if (m_flow) {
|
||||
|
|
@ -87,8 +85,7 @@ setMoleFractions(const std::string& xin)
|
|||
}
|
||||
}
|
||||
|
||||
void Inlet1D::
|
||||
setMoleFractions(doublereal* xin)
|
||||
void Inlet1D::setMoleFractions(doublereal* xin)
|
||||
{
|
||||
if (m_flow) {
|
||||
m_flow->phase().setMoleFractions(xin);
|
||||
|
|
@ -97,8 +94,7 @@ setMoleFractions(doublereal* xin)
|
|||
}
|
||||
}
|
||||
|
||||
string Inlet1D::
|
||||
componentName(size_t n) const
|
||||
string Inlet1D::componentName(size_t n) const
|
||||
{
|
||||
switch (n) {
|
||||
case 0:
|
||||
|
|
@ -111,8 +107,7 @@ componentName(size_t n) const
|
|||
return "unknown";
|
||||
}
|
||||
|
||||
void Inlet1D::
|
||||
init()
|
||||
void Inlet1D::init()
|
||||
{
|
||||
_init(2);
|
||||
|
||||
|
|
@ -147,9 +142,8 @@ init()
|
|||
}
|
||||
}
|
||||
|
||||
void Inlet1D::
|
||||
eval(size_t jg, doublereal* xg, doublereal* rg,
|
||||
integer* diagg, doublereal rdt)
|
||||
void Inlet1D::eval(size_t jg, doublereal* xg, doublereal* rg,
|
||||
integer* diagg, doublereal rdt)
|
||||
{
|
||||
if (jg != npos && (jg + 2 < firstPoint() || jg > lastPoint() + 2)) {
|
||||
return;
|
||||
|
|
@ -224,8 +218,7 @@ eval(size_t jg, doublereal* xg, doublereal* rg,
|
|||
}
|
||||
}
|
||||
|
||||
XML_Node& Inlet1D::
|
||||
save(XML_Node& o, const doublereal* const soln)
|
||||
XML_Node& Inlet1D::save(XML_Node& o, const doublereal* const soln)
|
||||
{
|
||||
const doublereal* s = soln + loc();
|
||||
XML_Node& inlt = Domain1D::save(o, soln);
|
||||
|
|
@ -240,8 +233,7 @@ save(XML_Node& o, const doublereal* const soln)
|
|||
return inlt;
|
||||
}
|
||||
|
||||
void Inlet1D::
|
||||
restore(const XML_Node& dom, doublereal* soln, int loglevel)
|
||||
void Inlet1D::restore(const XML_Node& dom, doublereal* soln, int loglevel)
|
||||
{
|
||||
Domain1D::restore(dom, soln, loglevel);
|
||||
soln[0] = m_mdot = ctml::getFloat(dom, "mdot", "massflowrate");
|
||||
|
|
@ -276,8 +268,7 @@ string Empty1D::componentName(size_t n) const
|
|||
return "<unknown>";
|
||||
}
|
||||
|
||||
void Empty1D::
|
||||
init() //_init(1);
|
||||
void Empty1D::init()
|
||||
{
|
||||
setBounds(0, -1.0, 1.0);
|
||||
|
||||
|
|
@ -286,8 +277,7 @@ init() //_init(1);
|
|||
setTransientTolerances(1e-4, 1e-4);
|
||||
}
|
||||
|
||||
void Empty1D::
|
||||
eval(size_t jg, doublereal* xg, doublereal* rg,
|
||||
void Empty1D::eval(size_t jg, doublereal* xg, doublereal* rg,
|
||||
integer* diagg, doublereal rdt)
|
||||
{
|
||||
if (jg != npos && (jg + 2 < firstPoint() || jg > lastPoint() + 2)) {
|
||||
|
|
@ -304,16 +294,14 @@ eval(size_t jg, doublereal* xg, doublereal* rg,
|
|||
diag[0] = 0;
|
||||
}
|
||||
|
||||
XML_Node& Empty1D::
|
||||
save(XML_Node& o, const doublereal* const soln)
|
||||
XML_Node& Empty1D::save(XML_Node& o, const doublereal* const soln)
|
||||
{
|
||||
XML_Node& symm = Domain1D::save(o, soln);
|
||||
symm.addAttribute("type","empty");
|
||||
return symm;
|
||||
}
|
||||
|
||||
void Empty1D::
|
||||
restore(const XML_Node& dom, doublereal* soln, int loglevel)
|
||||
void Empty1D::restore(const XML_Node& dom, doublereal* soln, int loglevel)
|
||||
{
|
||||
Domain1D::restore(dom, soln, loglevel);
|
||||
resize(1,1);
|
||||
|
|
@ -334,8 +322,7 @@ string Symm1D::componentName(size_t n) const
|
|||
return "<unknown>";
|
||||
}
|
||||
|
||||
void Symm1D::
|
||||
init()
|
||||
void Symm1D::init()
|
||||
{
|
||||
_init(1);
|
||||
setBounds(0, -1.0, 1.0);
|
||||
|
|
@ -345,9 +332,8 @@ init()
|
|||
setTransientTolerances(1e-4, 1e-4);
|
||||
}
|
||||
|
||||
void Symm1D::
|
||||
eval(size_t jg, doublereal* xg, doublereal* rg,
|
||||
integer* diagg, doublereal rdt)
|
||||
void Symm1D::eval(size_t jg, doublereal* xg, doublereal* rg, integer* diagg,
|
||||
doublereal rdt)
|
||||
{
|
||||
if (jg != npos && (jg + 2< firstPoint() || jg > lastPoint() + 2)) {
|
||||
return;
|
||||
|
|
@ -387,16 +373,14 @@ eval(size_t jg, doublereal* xg, doublereal* rg,
|
|||
}
|
||||
}
|
||||
|
||||
XML_Node& Symm1D::
|
||||
save(XML_Node& o, const doublereal* const soln)
|
||||
XML_Node& Symm1D::save(XML_Node& o, const doublereal* const soln)
|
||||
{
|
||||
XML_Node& symm = Domain1D::save(o, soln);
|
||||
symm.addAttribute("type","symmetry");
|
||||
return symm;
|
||||
}
|
||||
|
||||
void Symm1D::
|
||||
restore(const XML_Node& dom, doublereal* soln, int loglevel)
|
||||
void Symm1D::restore(const XML_Node& dom, doublereal* soln, int loglevel)
|
||||
{
|
||||
Domain1D::restore(dom, soln, loglevel);
|
||||
resize(1,1);
|
||||
|
|
@ -417,8 +401,7 @@ string Outlet1D::componentName(size_t n) const
|
|||
return "<unknown>";
|
||||
}
|
||||
|
||||
void Outlet1D::
|
||||
init()
|
||||
void Outlet1D::init()
|
||||
{
|
||||
_init(1);
|
||||
setBounds(0, -1.0, 1.0);
|
||||
|
|
@ -434,9 +417,8 @@ init()
|
|||
}
|
||||
}
|
||||
|
||||
void Outlet1D::
|
||||
eval(size_t jg, doublereal* xg, doublereal* rg,
|
||||
integer* diagg, doublereal rdt)
|
||||
void Outlet1D::eval(size_t jg, doublereal* xg, doublereal* rg, integer* diagg,
|
||||
doublereal rdt)
|
||||
{
|
||||
if (jg != npos && (jg + 2 < firstPoint() || jg > lastPoint() + 2)) {
|
||||
return;
|
||||
|
|
@ -489,16 +471,14 @@ eval(size_t jg, doublereal* xg, doublereal* rg,
|
|||
}
|
||||
}
|
||||
|
||||
XML_Node& Outlet1D::
|
||||
save(XML_Node& o, const doublereal* const soln)
|
||||
XML_Node& Outlet1D::save(XML_Node& o, const doublereal* const soln)
|
||||
{
|
||||
XML_Node& outlt = Domain1D::save(o, soln);
|
||||
outlt.addAttribute("type","outlet");
|
||||
return outlt;
|
||||
}
|
||||
|
||||
void Outlet1D::
|
||||
restore(const XML_Node& dom, doublereal* soln, int loglevel)
|
||||
void Outlet1D::restore(const XML_Node& dom, doublereal* soln, int loglevel)
|
||||
{
|
||||
Domain1D::restore(dom, soln, loglevel);
|
||||
resize(1,1);
|
||||
|
|
@ -508,8 +488,7 @@ restore(const XML_Node& dom, doublereal* soln, int loglevel)
|
|||
// OutletRes1D
|
||||
//--------------------------------------------------
|
||||
|
||||
void OutletRes1D::
|
||||
setMoleFractions(const std::string& xres)
|
||||
void OutletRes1D::setMoleFractions(const std::string& xres)
|
||||
{
|
||||
m_xstr = xres;
|
||||
if (m_flow) {
|
||||
|
|
@ -519,8 +498,7 @@ setMoleFractions(const std::string& xres)
|
|||
}
|
||||
}
|
||||
|
||||
void OutletRes1D::
|
||||
setMoleFractions(doublereal* xres)
|
||||
void OutletRes1D::setMoleFractions(doublereal* xres)
|
||||
{
|
||||
if (m_flow) {
|
||||
m_flow->phase().setMoleFractions(xres);
|
||||
|
|
@ -540,8 +518,7 @@ string OutletRes1D::componentName(size_t n) const
|
|||
return "<unknown>";
|
||||
}
|
||||
|
||||
void OutletRes1D::
|
||||
init()
|
||||
void OutletRes1D::init()
|
||||
{
|
||||
_init(1);
|
||||
// set bounds (dummy)
|
||||
|
|
@ -568,9 +545,8 @@ init()
|
|||
}
|
||||
}
|
||||
|
||||
void OutletRes1D::
|
||||
eval(size_t jg, doublereal* xg, doublereal* rg,
|
||||
integer* diagg, doublereal rdt)
|
||||
void OutletRes1D::eval(size_t jg, doublereal* xg, doublereal* rg,
|
||||
integer* diagg, doublereal rdt)
|
||||
{
|
||||
|
||||
if (jg != npos && (jg + 2 < firstPoint() || jg > lastPoint() + 2)) {
|
||||
|
|
@ -628,8 +604,7 @@ eval(size_t jg, doublereal* xg, doublereal* rg,
|
|||
}
|
||||
}
|
||||
|
||||
XML_Node& OutletRes1D::
|
||||
save(XML_Node& o, const doublereal* const soln)
|
||||
XML_Node& OutletRes1D::save(XML_Node& o, const doublereal* const soln)
|
||||
{
|
||||
XML_Node& outlt = Domain1D::save(o, soln);
|
||||
outlt.addAttribute("type","outletres");
|
||||
|
|
@ -641,8 +616,7 @@ save(XML_Node& o, const doublereal* const soln)
|
|||
return outlt;
|
||||
}
|
||||
|
||||
void OutletRes1D::
|
||||
restore(const XML_Node& dom, doublereal* soln, int loglevel)
|
||||
void OutletRes1D::restore(const XML_Node& dom, doublereal* soln, int loglevel)
|
||||
{
|
||||
Domain1D::restore(dom, soln, loglevel);
|
||||
m_temp = ctml::getFloat(dom, "temperature");
|
||||
|
|
@ -676,8 +650,7 @@ string Surf1D::componentName(size_t n) const
|
|||
return "<unknown>";
|
||||
}
|
||||
|
||||
void Surf1D::
|
||||
init()
|
||||
void Surf1D::init()
|
||||
{
|
||||
_init(1);
|
||||
// set bounds (T)
|
||||
|
|
@ -688,9 +661,8 @@ init()
|
|||
setTransientTolerances(1e-4, 1e-4);
|
||||
}
|
||||
|
||||
void Surf1D::
|
||||
eval(size_t jg, doublereal* xg, doublereal* rg,
|
||||
integer* diagg, doublereal rdt)
|
||||
void Surf1D::eval(size_t jg, doublereal* xg, doublereal* rg,
|
||||
integer* diagg, doublereal rdt)
|
||||
{
|
||||
if (jg != npos && (jg + 2 < firstPoint() || jg > lastPoint() + 2)) {
|
||||
return;
|
||||
|
|
@ -720,8 +692,7 @@ eval(size_t jg, doublereal* xg, doublereal* rg,
|
|||
}
|
||||
}
|
||||
|
||||
XML_Node& Surf1D::
|
||||
save(XML_Node& o, const doublereal* const soln)
|
||||
XML_Node& Surf1D::save(XML_Node& o, const doublereal* const soln)
|
||||
{
|
||||
const doublereal* s = soln + loc();
|
||||
//XML_Node& inlt = o.addChild("inlet");
|
||||
|
|
@ -733,8 +704,7 @@ save(XML_Node& o, const doublereal* const soln)
|
|||
return inlt;
|
||||
}
|
||||
|
||||
void Surf1D::
|
||||
restore(const XML_Node& dom, doublereal* soln, int loglevel)
|
||||
void Surf1D::restore(const XML_Node& dom, doublereal* soln, int loglevel)
|
||||
{
|
||||
Domain1D::restore(dom, soln, loglevel);
|
||||
soln[0] = m_temp = ctml::getFloat(dom, "temperature", "temperature");
|
||||
|
|
@ -756,8 +726,7 @@ string ReactingSurf1D::componentName(size_t n) const
|
|||
}
|
||||
}
|
||||
|
||||
void ReactingSurf1D::
|
||||
init()
|
||||
void ReactingSurf1D::init()
|
||||
{
|
||||
m_nv = m_nsp + 1;
|
||||
_init(m_nsp+1);
|
||||
|
|
@ -775,9 +744,8 @@ init()
|
|||
setTransientTolerances(1.0e-5, 1.0e-4, 0);
|
||||
}
|
||||
|
||||
void ReactingSurf1D::
|
||||
eval(size_t jg, doublereal* xg, doublereal* rg,
|
||||
integer* diagg, doublereal rdt)
|
||||
void ReactingSurf1D::eval(size_t jg, doublereal* xg, doublereal* rg,
|
||||
integer* diagg, doublereal rdt)
|
||||
{
|
||||
if (jg != npos && (jg + 2 < firstPoint() || jg > lastPoint() + 2)) {
|
||||
return;
|
||||
|
|
@ -864,8 +832,7 @@ eval(size_t jg, doublereal* xg, doublereal* rg,
|
|||
}
|
||||
}
|
||||
|
||||
XML_Node& ReactingSurf1D::
|
||||
save(XML_Node& o, const doublereal* const soln)
|
||||
XML_Node& ReactingSurf1D::save(XML_Node& o, const doublereal* const soln)
|
||||
{
|
||||
const doublereal* s = soln + loc();
|
||||
XML_Node& dom = Domain1D::save(o, soln);
|
||||
|
|
@ -878,8 +845,8 @@ save(XML_Node& o, const doublereal* const soln)
|
|||
return dom;
|
||||
}
|
||||
|
||||
void ReactingSurf1D::
|
||||
restore(const XML_Node& dom, doublereal* soln, int loglevel)
|
||||
void ReactingSurf1D::restore(const XML_Node& dom, doublereal* soln,
|
||||
int loglevel)
|
||||
{
|
||||
Domain1D::restore(dom, soln, loglevel);
|
||||
soln[0] = m_temp = ctml::getFloat(dom, "temperature");
|
||||
|
|
|
|||
|
|
@ -47,8 +47,7 @@ ThermoPhase* ConstDensityThermo::duplMyselfAsThermoPhase() const
|
|||
return new ConstDensityThermo(*this);
|
||||
}
|
||||
|
||||
int ConstDensityThermo::
|
||||
eosType() const
|
||||
int ConstDensityThermo::eosType() const
|
||||
{
|
||||
return cIncompressible;
|
||||
}
|
||||
|
|
|
|||
|
|
@ -117,8 +117,7 @@ DebyeHuckel::DebyeHuckel(const DebyeHuckel& b) :
|
|||
*this = b;
|
||||
}
|
||||
|
||||
DebyeHuckel& DebyeHuckel::
|
||||
operator=(const DebyeHuckel& b)
|
||||
DebyeHuckel& DebyeHuckel::operator=(const DebyeHuckel& b)
|
||||
{
|
||||
if (&b != this) {
|
||||
MolalityVPSSTP::operator=(b);
|
||||
|
|
@ -392,8 +391,7 @@ void DebyeHuckel::getActivities(doublereal* ac) const
|
|||
exp(m_lnActCoeffMolal[m_indexSolvent]) * xmolSolvent;
|
||||
}
|
||||
|
||||
void DebyeHuckel::
|
||||
getMolalityActivityCoefficients(doublereal* acMolality) const
|
||||
void DebyeHuckel::getMolalityActivityCoefficients(doublereal* acMolality) const
|
||||
{
|
||||
_updateStandardStateThermo();
|
||||
A_Debye_TP(-1.0, -1.0);
|
||||
|
|
@ -469,8 +467,7 @@ void DebyeHuckel::getPartialMolarEnthalpies(doublereal* hbar) const
|
|||
}
|
||||
}
|
||||
|
||||
void DebyeHuckel::
|
||||
getPartialMolarEntropies(doublereal* sbar) const
|
||||
void DebyeHuckel::getPartialMolarEntropies(doublereal* sbar) const
|
||||
{
|
||||
/*
|
||||
* Get the standard state entropies at the temperature
|
||||
|
|
@ -608,8 +605,7 @@ static int interp_est(const std::string& estString)
|
|||
return rval;
|
||||
}
|
||||
|
||||
void DebyeHuckel::
|
||||
initThermoXML(XML_Node& phaseNode, const std::string& id_)
|
||||
void DebyeHuckel::initThermoXML(XML_Node& phaseNode, const std::string& id_)
|
||||
{
|
||||
if (id_.size() > 0) {
|
||||
std::string idp = phaseNode.id();
|
||||
|
|
|
|||
|
|
@ -363,8 +363,7 @@ int Elements::changeElementType(int m, int elem_type)
|
|||
* looks up the required parameters for the regular interface
|
||||
* and then calls the base routine.
|
||||
*/
|
||||
void Elements::
|
||||
addElement(const std::string& symbol, doublereal weight)
|
||||
void Elements::addElement(const std::string& symbol, doublereal weight)
|
||||
{
|
||||
if (weight == -12345.0) {
|
||||
weight = LookupWtElements(symbol);
|
||||
|
|
@ -387,8 +386,7 @@ addElement(const std::string& symbol, doublereal weight)
|
|||
m_mm++;
|
||||
}
|
||||
//===========================================================================================================
|
||||
void Elements::
|
||||
addElement(const XML_Node& e)
|
||||
void Elements::addElement(const XML_Node& e)
|
||||
{
|
||||
doublereal weight = fpValue(e["atomicWt"]);
|
||||
string symbol = e["name"];
|
||||
|
|
@ -408,10 +406,9 @@ addElement(const XML_Node& e)
|
|||
* The default weight is a special value, which will cause the
|
||||
* routine to look up the actual weight via a string lookup.
|
||||
*/
|
||||
void Elements::
|
||||
addUniqueElement(const std::string& symbol,
|
||||
doublereal weight, int atomicNumber_, doublereal entropy298,
|
||||
int elem_type)
|
||||
void Elements::addUniqueElement(const std::string& symbol, doublereal weight,
|
||||
int atomicNumber_, doublereal entropy298,
|
||||
int elem_type)
|
||||
{
|
||||
if (weight == -12345.0) {
|
||||
weight = LookupWtElements(symbol);
|
||||
|
|
@ -460,8 +457,7 @@ addUniqueElement(const std::string& symbol,
|
|||
* @todo call addUniqueElement(symbol, weight) instead of
|
||||
* addElement.
|
||||
*/
|
||||
void Elements::
|
||||
addUniqueElement(const XML_Node& e)
|
||||
void Elements::addUniqueElement(const XML_Node& e)
|
||||
{
|
||||
doublereal weight = 0.0;
|
||||
if (e.hasAttrib("atomicWt")) {
|
||||
|
|
|
|||
|
|
@ -198,8 +198,8 @@ doublereal FixedChemPotSSTP::logStandardConc(size_t k) const
|
|||
return 0.0;
|
||||
}
|
||||
|
||||
void FixedChemPotSSTP::
|
||||
getUnitsStandardConc(doublereal* uA, int k, int sizeUA) const
|
||||
void FixedChemPotSSTP::getUnitsStandardConc(doublereal* uA, int k,
|
||||
int sizeUA) const
|
||||
{
|
||||
for (int i = 0; i < 6; i++) {
|
||||
uA[i] = 0;
|
||||
|
|
|
|||
|
|
@ -31,8 +31,7 @@ GeneralSpeciesThermo::GeneralSpeciesThermo() :
|
|||
m_thigh_min = 1.0E30;
|
||||
}
|
||||
|
||||
GeneralSpeciesThermo::
|
||||
GeneralSpeciesThermo(const GeneralSpeciesThermo& b) :
|
||||
GeneralSpeciesThermo::GeneralSpeciesThermo(const GeneralSpeciesThermo& b) :
|
||||
m_tlow_max(b.m_tlow_max),
|
||||
m_thigh_min(b.m_thigh_min),
|
||||
m_kk(b.m_kk)
|
||||
|
|
@ -204,9 +203,8 @@ void GeneralSpeciesThermo::installPDSShandler(size_t k, PDSS* PDSS_ptr,
|
|||
install_STIT(stit_ptr);
|
||||
}
|
||||
|
||||
void GeneralSpeciesThermo::
|
||||
update_one(size_t k, doublereal t, doublereal* cp_R,
|
||||
doublereal* h_RT, doublereal* s_R) const
|
||||
void GeneralSpeciesThermo::update_one(size_t k, doublereal t, doublereal* cp_R,
|
||||
doublereal* h_RT, doublereal* s_R) const
|
||||
{
|
||||
SpeciesThermoInterpType* sp_ptr = m_sp[k];
|
||||
if (sp_ptr) {
|
||||
|
|
@ -214,9 +212,8 @@ update_one(size_t k, doublereal t, doublereal* cp_R,
|
|||
}
|
||||
}
|
||||
|
||||
void GeneralSpeciesThermo::
|
||||
update(doublereal t, doublereal* cp_R,
|
||||
doublereal* h_RT, doublereal* s_R) const
|
||||
void GeneralSpeciesThermo::update(doublereal t, doublereal* cp_R,
|
||||
doublereal* h_RT, doublereal* s_R) const
|
||||
{
|
||||
vector<SpeciesThermoInterpType*>::const_iterator _begin, _end;
|
||||
_begin = m_sp.begin();
|
||||
|
|
@ -242,9 +239,9 @@ int GeneralSpeciesThermo::reportType(size_t index) const
|
|||
return -1;
|
||||
}
|
||||
|
||||
void GeneralSpeciesThermo::
|
||||
reportParams(size_t index, int& type, doublereal* const c,
|
||||
doublereal& minTemp_, doublereal& maxTemp_, doublereal& refPressure_) const
|
||||
void GeneralSpeciesThermo::reportParams(size_t index, int& type,
|
||||
doublereal* const c, doublereal& minTemp_, doublereal& maxTemp_,
|
||||
doublereal& refPressure_) const
|
||||
{
|
||||
SpeciesThermoInterpType* sp = m_sp[index];
|
||||
size_t n;
|
||||
|
|
|
|||
|
|
@ -53,8 +53,7 @@ GibbsExcessVPSSTP::GibbsExcessVPSSTP(const GibbsExcessVPSSTP& b) :
|
|||
GibbsExcessVPSSTP::operator=(b);
|
||||
}
|
||||
|
||||
GibbsExcessVPSSTP& GibbsExcessVPSSTP::
|
||||
operator=(const GibbsExcessVPSSTP& b)
|
||||
GibbsExcessVPSSTP& GibbsExcessVPSSTP::operator=(const GibbsExcessVPSSTP& b)
|
||||
{
|
||||
if (&b == this) {
|
||||
return *this;
|
||||
|
|
|
|||
|
|
@ -235,8 +235,7 @@ HMWSoln::HMWSoln(const HMWSoln& b) :
|
|||
*this = b;
|
||||
}
|
||||
|
||||
HMWSoln& HMWSoln::
|
||||
operator=(const HMWSoln& b)
|
||||
HMWSoln& HMWSoln::operator=(const HMWSoln& b)
|
||||
{
|
||||
if (&b != this) {
|
||||
MolalityVPSSTP::operator=(b);
|
||||
|
|
@ -843,8 +842,7 @@ void HMWSoln::getActivities(doublereal* ac) const
|
|||
//applyphScale(ac);
|
||||
}
|
||||
|
||||
void HMWSoln::
|
||||
getUnscaledMolalityActivityCoefficients(doublereal* acMolality) const
|
||||
void HMWSoln::getUnscaledMolalityActivityCoefficients(doublereal* acMolality) const
|
||||
{
|
||||
updateStandardStateThermo();
|
||||
A_Debye_TP(-1.0, -1.0);
|
||||
|
|
@ -913,8 +911,7 @@ void HMWSoln::getPartialMolarEnthalpies(doublereal* hbar) const
|
|||
}
|
||||
}
|
||||
|
||||
void HMWSoln::
|
||||
getPartialMolarEntropies(doublereal* sbar) const
|
||||
void HMWSoln::getPartialMolarEntropies(doublereal* sbar) const
|
||||
{
|
||||
/*
|
||||
* Get the standard state entropies at the temperature
|
||||
|
|
@ -1904,8 +1901,7 @@ void HMWSoln::s_updatePitzer_CoeffWRTemp(int doDerivs) const
|
|||
|
||||
}
|
||||
|
||||
void HMWSoln::
|
||||
s_updatePitzer_lnMolalityActCoeff() const
|
||||
void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const
|
||||
{
|
||||
/*
|
||||
* HKM -> Assumption is made that the solvent is
|
||||
|
|
|
|||
|
|
@ -1131,8 +1131,7 @@ void HMWSoln::constructPhaseXML(XML_Node& phaseNode, std::string id_)
|
|||
|
||||
}
|
||||
|
||||
void HMWSoln::
|
||||
initThermoXML(XML_Node& phaseNode, const std::string& id_)
|
||||
void HMWSoln::initThermoXML(XML_Node& phaseNode, const std::string& id_)
|
||||
{
|
||||
string stemp;
|
||||
if (id_.size() > 0) {
|
||||
|
|
|
|||
|
|
@ -56,8 +56,7 @@ IdealMolalSoln::IdealMolalSoln(const IdealMolalSoln& b) :
|
|||
*this = b;
|
||||
}
|
||||
|
||||
IdealMolalSoln& IdealMolalSoln::
|
||||
operator=(const IdealMolalSoln& b)
|
||||
IdealMolalSoln& IdealMolalSoln::operator=(const IdealMolalSoln& b)
|
||||
{
|
||||
if (&b != this) {
|
||||
MolalityVPSSTP::operator=(b);
|
||||
|
|
@ -334,8 +333,7 @@ void IdealMolalSoln::getActivities(doublereal* ac) const
|
|||
}
|
||||
}
|
||||
|
||||
void IdealMolalSoln::
|
||||
getMolalityActivityCoefficients(doublereal* acMolality) const
|
||||
void IdealMolalSoln::getMolalityActivityCoefficients(doublereal* acMolality) const
|
||||
{
|
||||
if (IMS_typeCutoff_ == 0) {
|
||||
for (size_t k = 0; k < m_kk; k++) {
|
||||
|
|
|
|||
|
|
@ -63,8 +63,7 @@ IdealSolidSolnPhase::IdealSolidSolnPhase(const IdealSolidSolnPhase& b)
|
|||
*this = b;
|
||||
}
|
||||
|
||||
IdealSolidSolnPhase& IdealSolidSolnPhase::
|
||||
operator=(const IdealSolidSolnPhase& b)
|
||||
IdealSolidSolnPhase& IdealSolidSolnPhase::operator=(const IdealSolidSolnPhase& b)
|
||||
{
|
||||
if (this != &b) {
|
||||
ThermoPhase::operator=(b);
|
||||
|
|
@ -113,8 +112,7 @@ int IdealSolidSolnPhase::eosType() const
|
|||
* Molar Thermodynamic Properties of the Solution
|
||||
********************************************************************/
|
||||
|
||||
doublereal IdealSolidSolnPhase::
|
||||
enthalpy_mole() const
|
||||
doublereal IdealSolidSolnPhase::enthalpy_mole() const
|
||||
{
|
||||
const double* eptr = &(enthalpy_RT_ref()[0]);
|
||||
doublereal htp = (GasConstant * temperature() * mean_X(eptr));
|
||||
|
|
@ -168,8 +166,7 @@ void IdealSolidSolnPhase::calcDensity()
|
|||
Phase::setDensity(dens);
|
||||
}
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
setDensity(const doublereal rho)
|
||||
void IdealSolidSolnPhase::setDensity(const doublereal rho)
|
||||
{
|
||||
/*
|
||||
* Unless the input density is exactly equal to the density
|
||||
|
|
@ -230,8 +227,7 @@ void IdealSolidSolnPhase::setConcentrations(const doublereal* const c)
|
|||
* Chemical Potentials and Activities
|
||||
********************************************************************/
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
getActivityConcentrations(doublereal* c) const
|
||||
void IdealSolidSolnPhase::getActivityConcentrations(doublereal* c) const
|
||||
{
|
||||
const doublereal* const dtmp = moleFractdivMMW();
|
||||
const double mmw = meanMolecularWeight();
|
||||
|
|
@ -255,8 +251,7 @@ getActivityConcentrations(doublereal* c) const
|
|||
}
|
||||
}
|
||||
|
||||
doublereal IdealSolidSolnPhase::
|
||||
standardConcentration(size_t k) const
|
||||
doublereal IdealSolidSolnPhase::standardConcentration(size_t k) const
|
||||
{
|
||||
switch (m_formGC) {
|
||||
case 0:
|
||||
|
|
@ -268,8 +263,7 @@ standardConcentration(size_t k) const
|
|||
}
|
||||
return 0.0;
|
||||
}
|
||||
doublereal IdealSolidSolnPhase::
|
||||
referenceConcentration(int k) const
|
||||
doublereal IdealSolidSolnPhase::referenceConcentration(int k) const
|
||||
{
|
||||
switch (m_formGC) {
|
||||
case 0:
|
||||
|
|
@ -282,8 +276,7 @@ referenceConcentration(int k) const
|
|||
return 0.0;
|
||||
}
|
||||
|
||||
doublereal IdealSolidSolnPhase::
|
||||
logStandardConc(size_t k) const
|
||||
doublereal IdealSolidSolnPhase::logStandardConc(size_t k) const
|
||||
{
|
||||
_updateThermo();
|
||||
double res;
|
||||
|
|
@ -304,8 +297,7 @@ logStandardConc(size_t k) const
|
|||
return res;
|
||||
}
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
getUnitsStandardConc(double* uA, int, int sizeUA) const
|
||||
void IdealSolidSolnPhase::getUnitsStandardConc(double* uA, int, int sizeUA) const
|
||||
{
|
||||
int eos = eosType();
|
||||
if (eos == cIdealSolidSolnPhase0) {
|
||||
|
|
@ -336,16 +328,14 @@ getUnitsStandardConc(double* uA, int, int sizeUA) const
|
|||
}
|
||||
}
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
getActivityCoefficients(doublereal* ac) const
|
||||
void IdealSolidSolnPhase::getActivityCoefficients(doublereal* ac) const
|
||||
{
|
||||
for (size_t k = 0; k < m_kk; k++) {
|
||||
ac[k] = 1.0;
|
||||
}
|
||||
}
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
getChemPotentials(doublereal* mu) const
|
||||
void IdealSolidSolnPhase::getChemPotentials(doublereal* mu) const
|
||||
{
|
||||
doublereal delta_p = m_Pcurrent - m_Pref;
|
||||
doublereal xx;
|
||||
|
|
@ -358,8 +348,7 @@ getChemPotentials(doublereal* mu) const
|
|||
}
|
||||
}
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
getChemPotentials_RT(doublereal* mu) const
|
||||
void IdealSolidSolnPhase::getChemPotentials_RT(doublereal* mu) const
|
||||
{
|
||||
doublereal RT = temperature() * GasConstant;
|
||||
doublereal delta_pdRT = (m_Pcurrent - m_Pref) / RT;
|
||||
|
|
@ -383,8 +372,7 @@ void IdealSolidSolnPhase::getPartialMolarEnthalpies(doublereal* hbar) const
|
|||
scale(_h.begin(), _h.end(), hbar, rt);
|
||||
}
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
getPartialMolarEntropies(doublereal* sbar) const
|
||||
void IdealSolidSolnPhase::getPartialMolarEntropies(doublereal* sbar) const
|
||||
{
|
||||
const vector_fp& _s = entropy_R_ref();
|
||||
doublereal r = GasConstant;
|
||||
|
|
@ -395,8 +383,7 @@ getPartialMolarEntropies(doublereal* sbar) const
|
|||
}
|
||||
}
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
getPartialMolarCp(doublereal* cpbar) const
|
||||
void IdealSolidSolnPhase::getPartialMolarCp(doublereal* cpbar) const
|
||||
{
|
||||
getCp_R(cpbar);
|
||||
for (size_t k = 0; k < m_kk; k++) {
|
||||
|
|
@ -404,8 +391,7 @@ getPartialMolarCp(doublereal* cpbar) const
|
|||
}
|
||||
}
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
getPartialMolarVolumes(doublereal* vbar) const
|
||||
void IdealSolidSolnPhase::getPartialMolarVolumes(doublereal* vbar) const
|
||||
{
|
||||
getStandardVolumes(vbar);
|
||||
}
|
||||
|
|
@ -414,8 +400,7 @@ getPartialMolarVolumes(doublereal* vbar) const
|
|||
* Properties of the Standard State of the Species in the Solution
|
||||
*****************************************************************/
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
getPureGibbs(doublereal* gpure) const
|
||||
void IdealSolidSolnPhase::getPureGibbs(doublereal* gpure) const
|
||||
{
|
||||
const vector_fp& gibbsrt = gibbs_RT_ref();
|
||||
doublereal RT = _RT();
|
||||
|
|
@ -426,8 +411,7 @@ getPureGibbs(doublereal* gpure) const
|
|||
}
|
||||
}
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
getGibbs_RT(doublereal* grt) const
|
||||
void IdealSolidSolnPhase::getGibbs_RT(doublereal* grt) const
|
||||
{
|
||||
const vector_fp& gibbsrt = gibbs_RT_ref();
|
||||
doublereal RT = _RT();
|
||||
|
|
@ -438,8 +422,7 @@ getGibbs_RT(doublereal* grt) const
|
|||
}
|
||||
}
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
getEnthalpy_RT(doublereal* hrt) const
|
||||
void IdealSolidSolnPhase::getEnthalpy_RT(doublereal* hrt) const
|
||||
{
|
||||
const vector_fp& _h = enthalpy_RT_ref();
|
||||
doublereal delta_prt = ((m_Pcurrent - m_Pref) /
|
||||
|
|
@ -629,8 +612,7 @@ void IdealSolidSolnPhase::initThermoXML(XML_Node& phaseNode, const std::string&
|
|||
ThermoPhase::initThermoXML(phaseNode, id_);
|
||||
}
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
initLengths()
|
||||
void IdealSolidSolnPhase::initLengths()
|
||||
{
|
||||
/*
|
||||
* Obtain the reference pressure by calling the ThermoPhase
|
||||
|
|
@ -650,8 +632,7 @@ initLengths()
|
|||
m_speciesMolarVolume.resize(m_kk);
|
||||
}
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
setToEquilState(const doublereal* lambda_RT)
|
||||
void IdealSolidSolnPhase::setToEquilState(const doublereal* lambda_RT)
|
||||
{
|
||||
const vector_fp& grt = gibbs_RT_ref();
|
||||
|
||||
|
|
@ -670,20 +651,17 @@ setToEquilState(const doublereal* lambda_RT)
|
|||
setState_PX(pres, dptr);
|
||||
}
|
||||
|
||||
double IdealSolidSolnPhase::
|
||||
speciesMolarVolume(int k) const
|
||||
double IdealSolidSolnPhase::speciesMolarVolume(int k) const
|
||||
{
|
||||
return m_speciesMolarVolume[k];
|
||||
}
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
getSpeciesMolarVolumes(doublereal* smv) const
|
||||
void IdealSolidSolnPhase::getSpeciesMolarVolumes(doublereal* smv) const
|
||||
{
|
||||
copy(m_speciesMolarVolume.begin(), m_speciesMolarVolume.end(), smv);
|
||||
}
|
||||
|
||||
void IdealSolidSolnPhase::
|
||||
_updateThermo() const
|
||||
void IdealSolidSolnPhase::_updateThermo() const
|
||||
{
|
||||
doublereal tnow = temperature();
|
||||
if (m_tlast != tnow) {
|
||||
|
|
|
|||
|
|
@ -56,8 +56,7 @@ IdealSolnGasVPSS::IdealSolnGasVPSS(const IdealSolnGasVPSS& b) :
|
|||
*this = b;
|
||||
}
|
||||
|
||||
IdealSolnGasVPSS& IdealSolnGasVPSS::
|
||||
operator=(const IdealSolnGasVPSS& b)
|
||||
IdealSolnGasVPSS& IdealSolnGasVPSS::operator=(const IdealSolnGasVPSS& b)
|
||||
{
|
||||
if (&b != this) {
|
||||
/*
|
||||
|
|
|
|||
|
|
@ -122,8 +122,8 @@ IonsFromNeutralVPSSTP::IonsFromNeutralVPSSTP(const IonsFromNeutralVPSSTP& b) :
|
|||
IonsFromNeutralVPSSTP::operator=(b);
|
||||
}
|
||||
|
||||
IonsFromNeutralVPSSTP& IonsFromNeutralVPSSTP::
|
||||
operator=(const IonsFromNeutralVPSSTP& b)
|
||||
IonsFromNeutralVPSSTP&
|
||||
IonsFromNeutralVPSSTP::operator=(const IonsFromNeutralVPSSTP& b)
|
||||
{
|
||||
if (&b == this) {
|
||||
return *this;
|
||||
|
|
|
|||
|
|
@ -53,8 +53,7 @@ MargulesVPSSTP::MargulesVPSSTP(const MargulesVPSSTP& b) :
|
|||
MargulesVPSSTP::operator=(b);
|
||||
}
|
||||
|
||||
MargulesVPSSTP& MargulesVPSSTP::
|
||||
operator=(const MargulesVPSSTP& b)
|
||||
MargulesVPSSTP& MargulesVPSSTP::operator=(const MargulesVPSSTP& b)
|
||||
{
|
||||
if (&b == this) {
|
||||
return *this;
|
||||
|
|
|
|||
|
|
@ -47,8 +47,8 @@ MaskellSolidSolnPhase::MaskellSolidSolnPhase(const MaskellSolidSolnPhase& b) :
|
|||
*this = b;
|
||||
}
|
||||
//=====================================================================================================
|
||||
MaskellSolidSolnPhase& MaskellSolidSolnPhase::
|
||||
operator=(const MaskellSolidSolnPhase& b)
|
||||
MaskellSolidSolnPhase&
|
||||
MaskellSolidSolnPhase::operator=(const MaskellSolidSolnPhase& b)
|
||||
{
|
||||
if (this != &b) {
|
||||
VPStandardStateTP::operator=(b);
|
||||
|
|
@ -61,8 +61,7 @@ ThermoPhase* MaskellSolidSolnPhase::duplMyselfAsThermoPhase() const
|
|||
return new MaskellSolidSolnPhase(*this);
|
||||
}
|
||||
//=====================================================================================================
|
||||
void MaskellSolidSolnPhase::
|
||||
getActivityConcentrations(doublereal* c) const
|
||||
void MaskellSolidSolnPhase::getActivityConcentrations(doublereal* c) const
|
||||
{
|
||||
getActivityCoefficients(c);
|
||||
for(unsigned sp=0; sp < m_kk; ++sp)
|
||||
|
|
@ -75,8 +74,7 @@ getActivityConcentrations(doublereal* c) const
|
|||
* Molar Thermodynamic Properties of the Solution
|
||||
********************************************************************/
|
||||
//=====================================================================================================
|
||||
doublereal MaskellSolidSolnPhase::
|
||||
enthalpy_mole() const
|
||||
doublereal MaskellSolidSolnPhase::enthalpy_mole() const
|
||||
{
|
||||
_updateThermo();
|
||||
const doublereal h0 = GasConstant * temperature() * mean_X(&m_h0_RT[0]);
|
||||
|
|
@ -104,8 +102,7 @@ doublereal MaskellSolidSolnPhase::entropy_mole() const
|
|||
* Mechanical Equation of State
|
||||
********************************************************************/
|
||||
|
||||
void MaskellSolidSolnPhase::
|
||||
setDensity(const doublereal rho)
|
||||
void MaskellSolidSolnPhase::setDensity(const doublereal rho)
|
||||
{
|
||||
/*
|
||||
* Unless the input density is exactly equal to the density
|
||||
|
|
@ -120,8 +117,7 @@ setDensity(const doublereal rho)
|
|||
}
|
||||
}
|
||||
|
||||
void MaskellSolidSolnPhase::
|
||||
calcDensity()
|
||||
void MaskellSolidSolnPhase::calcDensity()
|
||||
{
|
||||
const vector_fp & vbar = getStandardVolumes();
|
||||
|
||||
|
|
@ -150,8 +146,7 @@ void MaskellSolidSolnPhase::setMolarDensity(const doublereal n)
|
|||
* Chemical Potentials and Activities
|
||||
********************************************************************/
|
||||
|
||||
void MaskellSolidSolnPhase::
|
||||
getActivityCoefficients(doublereal* ac) const
|
||||
void MaskellSolidSolnPhase::getActivityCoefficients(doublereal* ac) const
|
||||
{
|
||||
_updateThermo();
|
||||
static const int cacheId = m_cache.getId();
|
||||
|
|
@ -173,8 +168,7 @@ getActivityCoefficients(doublereal* ac) const
|
|||
std::copy(cached.value.begin(), cached.value.end(), ac);
|
||||
}
|
||||
|
||||
void MaskellSolidSolnPhase::
|
||||
getChemPotentials(doublereal* mu) const
|
||||
void MaskellSolidSolnPhase::getChemPotentials(doublereal* mu) const
|
||||
{
|
||||
_updateThermo();
|
||||
const doublereal r = moleFraction(product_species_index);
|
||||
|
|
@ -190,8 +184,7 @@ getChemPotentials(doublereal* mu) const
|
|||
mu[reactant_species_index] = RT * m_g0_RT[reactant_species_index] - DgbarDr;
|
||||
}
|
||||
|
||||
void MaskellSolidSolnPhase::
|
||||
getChemPotentials_RT(doublereal* mu) const
|
||||
void MaskellSolidSolnPhase::getChemPotentials_RT(doublereal* mu) const
|
||||
{
|
||||
const doublereal invRT = 1.0 / (GasConstant * temperature());
|
||||
getChemPotentials(mu);
|
||||
|
|
@ -210,26 +203,22 @@ void MaskellSolidSolnPhase::getPartialMolarEnthalpies(doublereal* hbar) const
|
|||
throw CanteraError("MaskellSolidSolnPhase::getPartialMolarEnthalpies()", "Not yet implemented.");
|
||||
}
|
||||
|
||||
void MaskellSolidSolnPhase::
|
||||
getPartialMolarEntropies(doublereal* sbar) const
|
||||
void MaskellSolidSolnPhase::getPartialMolarEntropies(doublereal* sbar) const
|
||||
{
|
||||
throw CanteraError("MaskellSolidSolnPhase::getPartialMolarEntropies()", "Not yet implemented.");
|
||||
}
|
||||
|
||||
void MaskellSolidSolnPhase::
|
||||
getPartialMolarCp(doublereal* cpbar) const
|
||||
void MaskellSolidSolnPhase::getPartialMolarCp(doublereal* cpbar) const
|
||||
{
|
||||
throw CanteraError("MaskellSolidSolnPhase::getPartialMolarCp()", "Not yet implemented.");
|
||||
}
|
||||
|
||||
void MaskellSolidSolnPhase::
|
||||
getPartialMolarVolumes(doublereal* vbar) const
|
||||
void MaskellSolidSolnPhase::getPartialMolarVolumes(doublereal* vbar) const
|
||||
{
|
||||
getStandardVolumes(vbar);
|
||||
}
|
||||
|
||||
void MaskellSolidSolnPhase::
|
||||
getPureGibbs(doublereal* gpure) const
|
||||
void MaskellSolidSolnPhase::getPureGibbs(doublereal* gpure) const
|
||||
{
|
||||
_updateThermo();
|
||||
const doublereal RT = GasConstant * temperature();
|
||||
|
|
@ -239,8 +228,7 @@ getPureGibbs(doublereal* gpure) const
|
|||
}
|
||||
}
|
||||
|
||||
void MaskellSolidSolnPhase::
|
||||
getStandardChemPotentials(doublereal* mu) const
|
||||
void MaskellSolidSolnPhase::getStandardChemPotentials(doublereal* mu) const
|
||||
{
|
||||
// What is the difference between this and getPureGibbs? IdealSolidSolnPhase gives the same for both
|
||||
getPureGibbs(mu);
|
||||
|
|
|
|||
|
|
@ -166,8 +166,8 @@ doublereal MetalSHEelectrons::logStandardConc(size_t k) const
|
|||
return 0.0;
|
||||
}
|
||||
|
||||
void MetalSHEelectrons::
|
||||
getUnitsStandardConc(doublereal* uA, int k, int sizeUA) const
|
||||
void MetalSHEelectrons::getUnitsStandardConc(doublereal* uA, int k,
|
||||
int sizeUA) const
|
||||
{
|
||||
for (int i = 0; i < 6; i++) {
|
||||
uA[i] = 0;
|
||||
|
|
@ -178,8 +178,7 @@ getUnitsStandardConc(doublereal* uA, int k, int sizeUA) const
|
|||
* Properties of the Standard State of the Species in the Solution
|
||||
*/
|
||||
|
||||
void MetalSHEelectrons::
|
||||
getStandardChemPotentials(doublereal* mu0) const
|
||||
void MetalSHEelectrons::getStandardChemPotentials(doublereal* mu0) const
|
||||
{
|
||||
getGibbs_RT(mu0);
|
||||
mu0[0] *= GasConstant * temperature();
|
||||
|
|
|
|||
|
|
@ -142,8 +142,7 @@ doublereal MineralEQ3::thermalExpansionCoeff() const
|
|||
* ---- Chemical Potentials and Activities ----
|
||||
*/
|
||||
|
||||
void MineralEQ3::
|
||||
getActivityConcentrations(doublereal* c) const
|
||||
void MineralEQ3::getActivityConcentrations(doublereal* c) const
|
||||
{
|
||||
c[0] = 1.0;
|
||||
}
|
||||
|
|
@ -158,8 +157,7 @@ doublereal MineralEQ3::logStandardConc(size_t k) const
|
|||
return 0.0;
|
||||
}
|
||||
|
||||
void MineralEQ3::
|
||||
getUnitsStandardConc(doublereal* uA, int k, int sizeUA) const
|
||||
void MineralEQ3::getUnitsStandardConc(doublereal* uA, int k, int sizeUA) const
|
||||
{
|
||||
for (int i = 0; i < 6; i++) {
|
||||
uA[i] = 0;
|
||||
|
|
@ -170,8 +168,7 @@ getUnitsStandardConc(doublereal* uA, int k, int sizeUA) const
|
|||
* Properties of the Standard State of the Species in the Solution
|
||||
*/
|
||||
|
||||
void MineralEQ3::
|
||||
getStandardChemPotentials(doublereal* mu0) const
|
||||
void MineralEQ3::getStandardChemPotentials(doublereal* mu0) const
|
||||
{
|
||||
getGibbs_RT(mu0);
|
||||
mu0[0] *= GasConstant * temperature();
|
||||
|
|
|
|||
|
|
@ -56,8 +56,8 @@ MixedSolventElectrolyte::MixedSolventElectrolyte(const MixedSolventElectrolyte&
|
|||
MixedSolventElectrolyte::operator=(b);
|
||||
}
|
||||
|
||||
MixedSolventElectrolyte& MixedSolventElectrolyte::
|
||||
operator=(const MixedSolventElectrolyte& b)
|
||||
MixedSolventElectrolyte&
|
||||
MixedSolventElectrolyte::operator=(const MixedSolventElectrolyte& b)
|
||||
{
|
||||
if (&b == this) {
|
||||
return *this;
|
||||
|
|
|
|||
|
|
@ -57,8 +57,7 @@ MolalityVPSSTP::MolalityVPSSTP(const MolalityVPSSTP& b) :
|
|||
*this = operator=(b);
|
||||
}
|
||||
|
||||
MolalityVPSSTP& MolalityVPSSTP::
|
||||
operator=(const MolalityVPSSTP& b)
|
||||
MolalityVPSSTP& MolalityVPSSTP::operator=(const MolalityVPSSTP& b)
|
||||
{
|
||||
if (&b != this) {
|
||||
VPStandardStateTP::operator=(b);
|
||||
|
|
@ -73,8 +72,7 @@ operator=(const MolalityVPSSTP& b)
|
|||
return *this;
|
||||
}
|
||||
|
||||
ThermoPhase*
|
||||
MolalityVPSSTP::duplMyselfAsThermoPhase() const
|
||||
ThermoPhase* MolalityVPSSTP::duplMyselfAsThermoPhase() const
|
||||
{
|
||||
return new MolalityVPSSTP(*this);
|
||||
}
|
||||
|
|
@ -120,8 +118,7 @@ size_t MolalityVPSSTP::solventIndex() const
|
|||
return m_indexSolvent;
|
||||
}
|
||||
|
||||
void MolalityVPSSTP::
|
||||
setMoleFSolventMin(doublereal xmolSolventMIN)
|
||||
void MolalityVPSSTP::setMoleFSolventMin(doublereal xmolSolventMIN)
|
||||
{
|
||||
if (xmolSolventMIN <= 0.0) {
|
||||
throw CanteraError("MolalityVPSSTP::setSolute ", "trouble");
|
||||
|
|
|
|||
|
|
@ -80,8 +80,7 @@ MolarityIonicVPSSTP::MolarityIonicVPSSTP(const MolarityIonicVPSSTP& b) :
|
|||
*this = operator=(b);
|
||||
}
|
||||
|
||||
MolarityIonicVPSSTP& MolarityIonicVPSSTP::
|
||||
operator=(const MolarityIonicVPSSTP& b)
|
||||
MolarityIonicVPSSTP& MolarityIonicVPSSTP::operator=(const MolarityIonicVPSSTP& b)
|
||||
{
|
||||
if (&b != this) {
|
||||
GibbsExcessVPSSTP::operator=(b);
|
||||
|
|
|
|||
|
|
@ -66,9 +66,8 @@ Mu0Poly::duplMyselfAsSpeciesThermoInterpType() const
|
|||
return new Mu0Poly(*this);
|
||||
}
|
||||
|
||||
void Mu0Poly::
|
||||
updateProperties(const doublereal* tt, doublereal* cp_R,
|
||||
doublereal* h_RT, doublereal* s_R) const
|
||||
void Mu0Poly::updateProperties(const doublereal* tt, doublereal* cp_R,
|
||||
doublereal* h_RT, doublereal* s_R) const
|
||||
{
|
||||
size_t j = m_numIntervals;
|
||||
double T = *tt;
|
||||
|
|
@ -88,11 +87,10 @@ updateProperties(const doublereal* tt, doublereal* cp_R,
|
|||
s_R[m_index] = m_s0_R_int[j] + cp_Rj * (log(T/T1));
|
||||
}
|
||||
|
||||
void Mu0Poly::
|
||||
updatePropertiesTemp(const doublereal T,
|
||||
doublereal* cp_R,
|
||||
doublereal* h_RT,
|
||||
doublereal* s_R) const
|
||||
void Mu0Poly::updatePropertiesTemp(const doublereal T,
|
||||
doublereal* cp_R,
|
||||
doublereal* h_RT,
|
||||
doublereal* s_R) const
|
||||
{
|
||||
updateProperties(&T, cp_R, h_RT, s_R);
|
||||
}
|
||||
|
|
|
|||
|
|
@ -26,8 +26,7 @@ Nasa9PolyMultiTempRegion::Nasa9PolyMultiTempRegion() :
|
|||
{
|
||||
}
|
||||
|
||||
Nasa9PolyMultiTempRegion::
|
||||
Nasa9PolyMultiTempRegion(std::vector<Cantera::Nasa9Poly1*> ®ionPts) :
|
||||
Nasa9PolyMultiTempRegion::Nasa9PolyMultiTempRegion(vector<Nasa9Poly1*>& regionPts) :
|
||||
m_numTempRegions(0),
|
||||
m_currRegion(0)
|
||||
{
|
||||
|
|
@ -63,8 +62,7 @@ Nasa9PolyMultiTempRegion(std::vector<Cantera::Nasa9Poly1*> ®ionPts) :
|
|||
}
|
||||
}
|
||||
|
||||
Nasa9PolyMultiTempRegion::
|
||||
Nasa9PolyMultiTempRegion(const Nasa9PolyMultiTempRegion& b) :
|
||||
Nasa9PolyMultiTempRegion::Nasa9PolyMultiTempRegion(const Nasa9PolyMultiTempRegion& b) :
|
||||
SpeciesThermoInterpType(b),
|
||||
m_numTempRegions(b.m_numTempRegions),
|
||||
m_lowerTempBounds(b.m_lowerTempBounds),
|
||||
|
|
|
|||
|
|
@ -314,8 +314,7 @@ doublereal PDSS::molarVolume_ref() const
|
|||
return 0.0;
|
||||
}
|
||||
|
||||
doublereal PDSS::
|
||||
enthalpyDelp_mole() const
|
||||
doublereal PDSS::enthalpyDelp_mole() const
|
||||
{
|
||||
doublereal RT = m_temp * GasConstant;
|
||||
doublereal tmp = enthalpy_RT_ref();
|
||||
|
|
|
|||
|
|
@ -52,8 +52,7 @@ PhaseCombo_Interaction::PhaseCombo_Interaction(const PhaseCombo_Interaction& b)
|
|||
PhaseCombo_Interaction::operator=(b);
|
||||
}
|
||||
|
||||
PhaseCombo_Interaction& PhaseCombo_Interaction::
|
||||
operator=(const PhaseCombo_Interaction& b)
|
||||
PhaseCombo_Interaction& PhaseCombo_Interaction::operator=(const PhaseCombo_Interaction& b)
|
||||
{
|
||||
if (&b == this) {
|
||||
return *this;
|
||||
|
|
|
|||
|
|
@ -54,8 +54,7 @@ PseudoBinaryVPSSTP::PseudoBinaryVPSSTP(const PseudoBinaryVPSSTP& b) :
|
|||
*this = operator=(b);
|
||||
}
|
||||
|
||||
PseudoBinaryVPSSTP& PseudoBinaryVPSSTP::
|
||||
operator=(const PseudoBinaryVPSSTP& b)
|
||||
PseudoBinaryVPSSTP& PseudoBinaryVPSSTP::operator=(const PseudoBinaryVPSSTP& b)
|
||||
{
|
||||
if (&b != this) {
|
||||
GibbsExcessVPSSTP::operator=(b);
|
||||
|
|
|
|||
|
|
@ -61,8 +61,7 @@ PureFluidPhase::~PureFluidPhase()
|
|||
delete m_sub;
|
||||
}
|
||||
|
||||
void PureFluidPhase::
|
||||
initThermo()
|
||||
void PureFluidPhase::initThermo()
|
||||
{
|
||||
delete m_sub;
|
||||
m_sub = tpx::GetSub(m_subflag);
|
||||
|
|
@ -93,8 +92,7 @@ initThermo()
|
|||
+id()+"\n", m_verbose);
|
||||
}
|
||||
|
||||
void PureFluidPhase::
|
||||
setParametersFromXML(const XML_Node& eosdata)
|
||||
void PureFluidPhase::setParametersFromXML(const XML_Node& eosdata)
|
||||
{
|
||||
eosdata._require("model","PureFluid");
|
||||
m_subflag = atoi(eosdata["fluid_type"].c_str());
|
||||
|
|
@ -103,50 +101,43 @@ setParametersFromXML(const XML_Node& eosdata)
|
|||
"missing or negative substance flag");
|
||||
}
|
||||
|
||||
doublereal PureFluidPhase::
|
||||
enthalpy_mole() const
|
||||
doublereal PureFluidPhase::enthalpy_mole() const
|
||||
{
|
||||
setTPXState();
|
||||
return m_sub->h() * m_mw;
|
||||
}
|
||||
|
||||
doublereal PureFluidPhase::
|
||||
intEnergy_mole() const
|
||||
doublereal PureFluidPhase::intEnergy_mole() const
|
||||
{
|
||||
setTPXState();
|
||||
return m_sub->u() * m_mw;
|
||||
}
|
||||
|
||||
doublereal PureFluidPhase::
|
||||
entropy_mole() const
|
||||
doublereal PureFluidPhase::entropy_mole() const
|
||||
{
|
||||
setTPXState();
|
||||
return m_sub->s() * m_mw;
|
||||
}
|
||||
|
||||
doublereal PureFluidPhase::
|
||||
gibbs_mole() const
|
||||
doublereal PureFluidPhase::gibbs_mole() const
|
||||
{
|
||||
setTPXState();
|
||||
return m_sub->g() * m_mw;
|
||||
}
|
||||
|
||||
doublereal PureFluidPhase::
|
||||
cp_mole() const
|
||||
doublereal PureFluidPhase::cp_mole() const
|
||||
{
|
||||
setTPXState();
|
||||
return m_sub->cp() * m_mw;
|
||||
}
|
||||
|
||||
doublereal PureFluidPhase::
|
||||
cv_mole() const
|
||||
doublereal PureFluidPhase::cv_mole() const
|
||||
{
|
||||
setTPXState();
|
||||
return m_sub->cv() * m_mw;
|
||||
}
|
||||
|
||||
doublereal PureFluidPhase::
|
||||
pressure() const
|
||||
doublereal PureFluidPhase::pressure() const
|
||||
{
|
||||
setTPXState();
|
||||
return m_sub->P();
|
||||
|
|
|
|||
|
|
@ -131,8 +131,7 @@ RedlichKisterVPSSTP::RedlichKisterVPSSTP(const RedlichKisterVPSSTP& b) :
|
|||
RedlichKisterVPSSTP::operator=(b);
|
||||
}
|
||||
|
||||
RedlichKisterVPSSTP& RedlichKisterVPSSTP::
|
||||
operator=(const RedlichKisterVPSSTP& b)
|
||||
RedlichKisterVPSSTP& RedlichKisterVPSSTP::operator=(const RedlichKisterVPSSTP& b)
|
||||
{
|
||||
if (&b == this) {
|
||||
return *this;
|
||||
|
|
@ -153,8 +152,7 @@ operator=(const RedlichKisterVPSSTP& b)
|
|||
return *this;
|
||||
}
|
||||
|
||||
ThermoPhase*
|
||||
RedlichKisterVPSSTP::duplMyselfAsThermoPhase() const
|
||||
ThermoPhase* RedlichKisterVPSSTP::duplMyselfAsThermoPhase() const
|
||||
{
|
||||
return new RedlichKisterVPSSTP(*this);
|
||||
}
|
||||
|
|
|
|||
|
|
@ -180,8 +180,7 @@ RedlichKwongMFTP::RedlichKwongMFTP(const RedlichKwongMFTP& b) :
|
|||
*this = b;
|
||||
}
|
||||
|
||||
RedlichKwongMFTP& RedlichKwongMFTP::
|
||||
operator=(const RedlichKwongMFTP& b)
|
||||
RedlichKwongMFTP& RedlichKwongMFTP::operator=(const RedlichKwongMFTP& b)
|
||||
{
|
||||
if (&b != this) {
|
||||
/*
|
||||
|
|
|
|||
|
|
@ -151,24 +151,21 @@ void SingleSpeciesTP::getElectrochemPotentials(doublereal* mu) const
|
|||
getChemPotentials(mu);
|
||||
}
|
||||
|
||||
void SingleSpeciesTP::
|
||||
getPartialMolarEnthalpies(doublereal* hbar) const
|
||||
void SingleSpeciesTP::getPartialMolarEnthalpies(doublereal* hbar) const
|
||||
{
|
||||
double _rt = GasConstant * temperature();
|
||||
getEnthalpy_RT(hbar);
|
||||
hbar[0] *= _rt;
|
||||
}
|
||||
|
||||
void SingleSpeciesTP::
|
||||
getPartialMolarIntEnergies(doublereal* ubar) const
|
||||
void SingleSpeciesTP::getPartialMolarIntEnergies(doublereal* ubar) const
|
||||
{
|
||||
double _rt = GasConstant * temperature();
|
||||
getIntEnergy_RT(ubar);
|
||||
ubar[0] *= _rt;
|
||||
}
|
||||
|
||||
void SingleSpeciesTP::
|
||||
getPartialMolarEntropies(doublereal* sbar) const
|
||||
void SingleSpeciesTP::getPartialMolarEntropies(doublereal* sbar) const
|
||||
{
|
||||
getEntropy_R(sbar);
|
||||
sbar[0] *= GasConstant;
|
||||
|
|
|
|||
|
|
@ -752,12 +752,12 @@ void SpeciesThermoFactory::installThermoForSpecies
|
|||
}
|
||||
}
|
||||
|
||||
void SpeciesThermoFactory::
|
||||
installVPThermoForSpecies(size_t k, const XML_Node& speciesNode,
|
||||
VPStandardStateTP* vp_ptr,
|
||||
VPSSMgr* vpssmgr_ptr,
|
||||
SpeciesThermo* spthermo_ptr,
|
||||
const XML_Node* phaseNode_ptr) const
|
||||
void SpeciesThermoFactory::installVPThermoForSpecies(size_t k,
|
||||
const XML_Node& speciesNode,
|
||||
VPStandardStateTP* vp_ptr,
|
||||
VPSSMgr* vpssmgr_ptr,
|
||||
SpeciesThermo* spthermo_ptr,
|
||||
const XML_Node* phaseNode_ptr) const
|
||||
{
|
||||
|
||||
// Call the VPStandardStateTP object to install the pressure dependent species
|
||||
|
|
|
|||
|
|
@ -26,8 +26,7 @@ StoichSubstance::StoichSubstance(const StoichSubstance& right) :
|
|||
*this = operator=(right);
|
||||
}
|
||||
|
||||
StoichSubstance& StoichSubstance::
|
||||
operator=(const StoichSubstance& right)
|
||||
StoichSubstance& StoichSubstance::operator=(const StoichSubstance& right)
|
||||
{
|
||||
if (&right != this) {
|
||||
ThermoPhase::operator=(right);
|
||||
|
|
@ -143,8 +142,7 @@ void StoichSubstance::getStandardChemPotentials(doublereal* mu0) const
|
|||
mu0[0] = gibbs_mole();
|
||||
}
|
||||
|
||||
void StoichSubstance::
|
||||
getUnitsStandardConc(double* uA, int k, int sizeUA) const
|
||||
void StoichSubstance::getUnitsStandardConc(double* uA, int k, int sizeUA) const
|
||||
{
|
||||
for (int i = 0; i < sizeUA; i++) {
|
||||
uA[i] = 0.0;
|
||||
|
|
|
|||
|
|
@ -128,8 +128,7 @@ doublereal StoichSubstanceSSTP::thermalExpansionCoeff() const
|
|||
* ---- Chemical Potentials and Activities ----
|
||||
*/
|
||||
|
||||
void StoichSubstanceSSTP::
|
||||
getActivityConcentrations(doublereal* c) const
|
||||
void StoichSubstanceSSTP::getActivityConcentrations(doublereal* c) const
|
||||
{
|
||||
c[0] = 1.0;
|
||||
}
|
||||
|
|
@ -144,8 +143,7 @@ doublereal StoichSubstanceSSTP::logStandardConc(size_t k) const
|
|||
return 0.0;
|
||||
}
|
||||
|
||||
void StoichSubstanceSSTP::
|
||||
getUnitsStandardConc(doublereal* uA, int k, int sizeUA) const
|
||||
void StoichSubstanceSSTP::getUnitsStandardConc(doublereal* uA, int k, int sizeUA) const
|
||||
{
|
||||
for (int i = 0; i < 6; i++) {
|
||||
uA[i] = 0;
|
||||
|
|
@ -156,8 +154,7 @@ getUnitsStandardConc(doublereal* uA, int k, int sizeUA) const
|
|||
* Properties of the Standard State of the Species in the Solution
|
||||
*/
|
||||
|
||||
void StoichSubstanceSSTP::
|
||||
getStandardChemPotentials(doublereal* mu0) const
|
||||
void StoichSubstanceSSTP::getStandardChemPotentials(doublereal* mu0) const
|
||||
{
|
||||
getGibbs_RT(mu0);
|
||||
mu0[0] *= GasConstant * temperature();
|
||||
|
|
|
|||
|
|
@ -77,8 +77,7 @@ SurfPhase::SurfPhase(const SurfPhase& right) :
|
|||
*this = operator=(right);
|
||||
}
|
||||
|
||||
SurfPhase& SurfPhase::
|
||||
operator=(const SurfPhase& right)
|
||||
SurfPhase& SurfPhase::operator=(const SurfPhase& right)
|
||||
{
|
||||
if (&right != this) {
|
||||
ThermoPhase::operator=(right);
|
||||
|
|
@ -194,8 +193,7 @@ void SurfPhase::getGibbs_RT(doublereal* grt) const
|
|||
scale(m_mu0.begin(), m_mu0.end(), grt, rrt);
|
||||
}
|
||||
|
||||
void SurfPhase::
|
||||
getEnthalpy_RT(doublereal* hrt) const
|
||||
void SurfPhase::getEnthalpy_RT(doublereal* hrt) const
|
||||
{
|
||||
_updateThermo();
|
||||
double rrt = 1.0/(GasConstant*temperature());
|
||||
|
|
|
|||
|
|
@ -308,9 +308,8 @@ doublereal WaterPropsIAPWS::Gibbs() const
|
|||
return gRT * Rgas * temperature;
|
||||
}
|
||||
|
||||
void WaterPropsIAPWS::
|
||||
corr(doublereal temperature, doublereal pressure, doublereal& densLiq,
|
||||
doublereal& densGas, doublereal& delGRT)
|
||||
void WaterPropsIAPWS::corr(doublereal temperature, doublereal pressure,
|
||||
doublereal& densLiq, doublereal& densGas, doublereal& delGRT)
|
||||
{
|
||||
|
||||
densLiq = density(temperature, pressure, WATER_LIQUID, densLiq);
|
||||
|
|
@ -334,9 +333,8 @@ corr(doublereal temperature, doublereal pressure, doublereal& densLiq,
|
|||
delGRT = gibbsLiqRT - gibbsGasRT;
|
||||
}
|
||||
|
||||
void WaterPropsIAPWS::
|
||||
corr1(doublereal temperature, doublereal pressure, doublereal& densLiq,
|
||||
doublereal& densGas, doublereal& pcorr)
|
||||
void WaterPropsIAPWS::corr1(doublereal temperature, doublereal pressure,
|
||||
doublereal& densLiq, doublereal& densGas, doublereal& pcorr)
|
||||
{
|
||||
|
||||
densLiq = density(temperature, pressure, WATER_LIQUID, densLiq);
|
||||
|
|
|
|||
|
|
@ -113,8 +113,7 @@ void WaterSSTP::initThermo()
|
|||
SingleSpeciesTP::initThermo();
|
||||
}
|
||||
|
||||
void WaterSSTP::
|
||||
initThermoXML(XML_Node& phaseNode, const std::string& id)
|
||||
void WaterSSTP::initThermoXML(XML_Node& phaseNode, const std::string& id)
|
||||
{
|
||||
/*
|
||||
* Do initializations that don't depend on knowing the XML file
|
||||
|
|
@ -205,8 +204,7 @@ initThermoXML(XML_Node& phaseNode, const std::string& id)
|
|||
m_ready = true;
|
||||
}
|
||||
|
||||
void WaterSSTP::
|
||||
setParametersFromXML(const XML_Node& eosdata)
|
||||
void WaterSSTP::setParametersFromXML(const XML_Node& eosdata)
|
||||
{
|
||||
eosdata._require("model","PureLiquidWater");
|
||||
}
|
||||
|
|
@ -376,8 +374,7 @@ doublereal WaterSSTP::pressure() const
|
|||
return m_sub->pressure();
|
||||
}
|
||||
|
||||
void WaterSSTP::
|
||||
setPressure(doublereal p)
|
||||
void WaterSSTP::setPressure(doublereal p)
|
||||
{
|
||||
double T = temperature();
|
||||
double dens = density();
|
||||
|
|
|
|||
|
|
@ -18,8 +18,7 @@ namespace Cantera
|
|||
|
||||
ConstPressureReactor::ConstPressureReactor() : Reactor() {}
|
||||
|
||||
void ConstPressureReactor::
|
||||
getInitialConditions(double t0, size_t leny, double* y)
|
||||
void ConstPressureReactor::getInitialConditions(double t0, size_t leny, double* y)
|
||||
{
|
||||
m_init = true;
|
||||
if (m_thermo == 0) {
|
||||
|
|
|
|||
|
|
@ -28,8 +28,8 @@ void IdealGasConstPressureReactor::setThermoMgr(ThermoPhase& thermo)
|
|||
}
|
||||
|
||||
|
||||
void IdealGasConstPressureReactor::
|
||||
getInitialConditions(double t0, size_t leny, double* y)
|
||||
void IdealGasConstPressureReactor::getInitialConditions(double t0, size_t leny,
|
||||
double* y)
|
||||
{
|
||||
m_init = true;
|
||||
if (m_thermo == 0) {
|
||||
|
|
|
|||
Loading…
Add table
Reference in a new issue