Added a copy constructor and an assignment operator
This commit is contained in:
Harry Moffat
parent
bab66a8b89
commit
60194831c1
2 changed files with 127 additions and 53 deletions
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@ -21,7 +21,8 @@ using namespace std;
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namespace Cantera {
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/// Constructor.
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//====================================================================================================================
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// Constructor.
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MultiPhase::MultiPhase() :
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m_np(0),
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m_temp(0.0),
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@ -33,8 +34,67 @@ namespace Cantera {
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m_Tmin(1.0),
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m_Tmax(100000.0)
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{
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}
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//====================================================================================================================
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// Copy Constructor
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/*
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* @param right Object to be copied
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*/
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MultiPhase::MultiPhase(const MultiPhase &right) :
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m_np(0),
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m_temp(0.0),
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m_press(0.0),
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m_nel(0),
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m_nsp(0),
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m_init(false),
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m_eloc(-1),
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m_Tmin(1.0),
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m_Tmax(100000.0)
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{
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operator=(right);
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}
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//====================================================================================================================
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// Destructor.
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/*
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* Does nothing. Class MultiPhase does not take
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* "ownership" (i.e. responsibility for destroying) the
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* phase objects.
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*/
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MultiPhase::~MultiPhase()
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{
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}
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//====================================================================================================================
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// Assignment operator
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/*
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* @param right Object to be copied
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*/
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MultiPhase& MultiPhase::operator=(const MultiPhase& right)
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{
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if (&right != this) {
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m_moles = right.m_moles;
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// shallow copy of phase pointers
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m_phase = right.m_phase;
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m_atoms = right.m_atoms;
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m_moleFractions = right.m_moleFractions;
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m_spphase = right.m_spphase;
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m_spstart = right.m_spstart;
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m_enames = right.m_enames;
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m_enamemap = right.m_enamemap;
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m_np = right.m_np;
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m_temp = right.m_temp;
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m_press = right.m_press;
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m_nel = right.m_nel;
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m_nsp = right.m_nsp;
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m_init = right.m_init;
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m_eloc = right.m_eloc;
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m_temp_OK = right.m_temp_OK;
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m_Tmin = right.m_Tmin;
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m_Tmax = right.m_Tmax;
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m_elemAbundances = right.m_elemAbundances;
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}
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return *this;
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}
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//====================================================================================================================
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void MultiPhase::
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addPhases(MultiPhase& mix) {
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index_t n;
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@ -42,7 +102,7 @@ namespace Cantera {
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addPhase(mix.m_phase[n], mix.m_moles[n]);
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}
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}
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//====================================================================================================================
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void MultiPhase::
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addPhases(phase_list& phases, const vector_fp& phaseMoles) {
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index_t np = phases.size();
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@ -52,7 +112,7 @@ namespace Cantera {
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}
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init();
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}
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//====================================================================================================================
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void MultiPhase::
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addPhase(phase_t* p, doublereal moles) {
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if (m_init) {
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@ -121,8 +181,7 @@ namespace Cantera {
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if (t < m_Tmax) m_Tmax = t;
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}
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}
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//====================================================================================================================
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// Process phases and build atomic composition array. This method
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// must be called after all phases are added, before doing
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// anything else with the mixture. After init() has been called,
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@ -186,7 +245,7 @@ namespace Cantera {
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updatePhases();
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}
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//====================================================================================================================
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// Return a reference to phase n. The state of phase n is
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// also updated to match the state stored locally in the
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// mixture object.
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@ -197,15 +256,17 @@ namespace Cantera {
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m_phase[n]->setPressure(m_press);
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return *m_phase[n];
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}
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//====================================================================================================================
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/// Moles of species \c k.
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doublereal MultiPhase::speciesMoles(index_t k) const {
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index_t ip = m_spphase[k];
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return m_moles[ip]*m_moleFractions[k];
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}
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/// Total moles of element m, summed over all
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/// phases
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//====================================================================================================================
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// Total moles of global element \a m, summed over all phases.
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/*
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* @param m Index of the global element
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*/
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doublereal MultiPhase::elementMoles(index_t m) const {
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doublereal sum = 0.0, phasesum;
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index_t i, k = 0, ik, nsp;
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@ -220,8 +281,8 @@ namespace Cantera {
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}
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return sum;
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}
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/// Total charge, summed over all phases
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//====================================================================================================================
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// Total charge, summed over all phases
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doublereal MultiPhase::charge() const {
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doublereal sum = 0.0;
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index_t i;
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@ -230,7 +291,7 @@ namespace Cantera {
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}
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return sum;
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}
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//====================================================================================================================
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int MultiPhase::speciesIndex(std::string speciesName, std::string phaseName) {
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int p = phaseIndex(phaseName);
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if (p < 0) {
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@ -242,7 +303,7 @@ namespace Cantera {
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}
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return m_spstart[p] + k;
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}
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//====================================================================================================================
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/// Net charge of one phase (Coulombs). The net charge is computed as
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/// \f[ Q_p = N_p \sum_k F z_k X_k \f]
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/// where the sum runs only over species in phase \a p.
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@ -256,7 +317,7 @@ namespace Cantera {
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}
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return Faraday*phasesum*m_moles[p];
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}
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//====================================================================================================================
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/// Get the chemical potentials of all species in all phases.
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void MultiPhase::getChemPotentials(doublereal* mu) const {
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@ -267,7 +328,7 @@ namespace Cantera {
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loc += m_phase[i]->nSpecies();
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}
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}
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//====================================================================================================================
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// Get chemical potentials of species with valid thermo
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// data. This method is designed for use in computing chemical
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// equilibrium by Gibbs minimization. For solution phases (more
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@ -313,7 +374,7 @@ namespace Cantera {
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loc += m_phase[i]->nSpecies();
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}
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}
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//====================================================================================================================
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/// True if species \a k belongs to a solution phase.
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bool MultiPhase::solutionSpecies(index_t k) const {
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if (m_phase[m_spphase[k]]->nSpecies() > 1)
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@ -334,7 +395,7 @@ namespace Cantera {
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}
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return sum;
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}
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//====================================================================================================================
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/// The enthalpy of the mixture (J).
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doublereal MultiPhase::enthalpy() const {
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index_t i;
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@ -347,7 +408,7 @@ namespace Cantera {
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}
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return sum;
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}
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//====================================================================================================================
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/// The internal energy of the mixture (J).
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doublereal MultiPhase::IntEnergy() const {
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index_t i;
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@ -360,7 +421,7 @@ namespace Cantera {
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}
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return sum;
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}
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//====================================================================================================================
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/// The entropy of the mixture (J/K).
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doublereal MultiPhase::entropy() const {
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index_t i;
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@ -373,7 +434,7 @@ namespace Cantera {
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}
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return sum;
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}
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//====================================================================================================================
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/// The specific heat at constant pressure and composition (J/K).
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/// Note that this does not account for changes in composition of
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/// the mixture with temperature.
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@ -389,7 +450,7 @@ namespace Cantera {
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return sum;
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}
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//====================================================================================================================
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/// Set the mole fractions of phase \a n to the values in
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/// array \a x.
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@ -402,7 +463,7 @@ namespace Cantera {
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m_moleFractions[istart+k] = x[k];
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}
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}
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//====================================================================================================================
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// Set the species moles using a map. The map \a xMap maps
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// species name strings to mole numbers. Mole numbers that are
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// less than or equal to zero will be set to zero.
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@ -416,7 +477,7 @@ namespace Cantera {
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}
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setMoles(DATA_PTR(moles));
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}
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//====================================================================================================================
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// Set the species moles using a string. Unspecified species are
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// set to zero.
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void MultiPhase::setMolesByName(const std::string& x) {
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@ -435,7 +496,7 @@ namespace Cantera {
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parseCompString(x, xx);
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setMolesByName(xx);
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}
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//====================================================================================================================
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// Get the mole numbers of all species in the multiphase
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// object
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void MultiPhase::getMoles(doublereal * molNum) const {
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@ -454,7 +515,7 @@ namespace Cantera {
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}
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}
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}
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//====================================================================================================================
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/// Set the species moles to the values in array \a n. The state
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/// of each phase object is also updated to have the specified
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/// composition and the mixture temperature and pressure.
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@ -486,7 +547,7 @@ namespace Cantera {
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loc += nsp;
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}
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}
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//====================================================================================================================
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void MultiPhase::addSpeciesMoles(const int indexS, const doublereal addedMoles) {
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vector_fp tmpMoles(m_nsp, 0.0);
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getMoles(DATA_PTR(tmpMoles));
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@ -496,21 +557,21 @@ namespace Cantera {
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}
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setMoles(DATA_PTR(tmpMoles));
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}
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//====================================================================================================================
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void MultiPhase::setState_TP(const doublereal T, const doublereal Pres) {
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if (!m_init) init();
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m_temp = T;
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m_press = Pres;
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updatePhases();
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}
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//====================================================================================================================
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void MultiPhase::setState_TPMoles(const doublereal T, const doublereal Pres,
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const doublereal *n) {
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m_temp = T;
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m_press = Pres;
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setMoles(n);
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}
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//====================================================================================================================
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void MultiPhase::getElemAbundances(doublereal *elemAbundances) const {
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index_t eGlobal;
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calcElemAbundances();
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@ -518,7 +579,7 @@ namespace Cantera {
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elemAbundances[eGlobal] = m_elemAbundances[eGlobal];
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}
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}
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//====================================================================================================================
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// Internal routine to calculate the element abundance vector
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void MultiPhase::calcElemAbundances() const {
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index_t loc = 0;
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@ -542,7 +603,7 @@ namespace Cantera {
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loc += nspPhase;
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}
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}
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//====================================================================================================================
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/// The total mixture volume [m^3].
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doublereal MultiPhase::volume() const {
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int i;
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@ -553,7 +614,7 @@ namespace Cantera {
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}
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return sum;
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}
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//====================================================================================================================
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doublereal MultiPhase::equilibrate(int XY, doublereal err,
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int maxsteps, int maxiter, int loglevel) {
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doublereal error;
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@ -867,18 +928,18 @@ namespace Cantera {
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}
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}
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#endif
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//====================================================================================================================
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void MultiPhase::setTemperature(const doublereal T) {
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if (!m_init) init();
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m_temp = T;
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updatePhases();
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}
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//====================================================================================================================
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// Name of element \a m.
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std::string MultiPhase::elementName(int m) const {
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return m_enames[m];
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}
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//====================================================================================================================
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// Index of element with name \a name.
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int MultiPhase::elementIndex(std::string name) const {
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for (size_t e = 0; e < m_nel; e++) {
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@ -888,25 +949,25 @@ namespace Cantera {
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}
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return -1;
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}
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//====================================================================================================================
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// Name of species with global index \a k.
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std::string MultiPhase::speciesName(const int k) const {
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return m_snames[k];
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}
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//====================================================================================================================
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doublereal MultiPhase::nAtoms(const int kGlob, const int mGlob) const {
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return m_atoms(mGlob, kGlob);
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}
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//====================================================================================================================
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void MultiPhase::getMoleFractions(doublereal* const x) const {
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std::copy(m_moleFractions.begin(), m_moleFractions.end(), x);
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}
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//====================================================================================================================
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std::string MultiPhase::phaseName(const index_t iph) const {
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const phase_t *tptr = m_phase[iph];
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return tptr->id();
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}
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//====================================================================================================================
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int MultiPhase::phaseIndex(const std::string &pName) const {
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std::string tmp;
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for (int iph = 0; iph < (int) m_np; iph++) {
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@ -918,32 +979,33 @@ namespace Cantera {
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}
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return -1;
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}
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//====================================================================================================================
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doublereal MultiPhase::phaseMoles(const index_t n) const {
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return m_moles[n];
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}
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//====================================================================================================================
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void MultiPhase::setPhaseMoles(const index_t n, const doublereal moles) {
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m_moles[n] = moles;
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}
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//====================================================================================================================
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int MultiPhase::speciesPhaseIndex(const index_t kGlob) const {
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return m_spphase[kGlob];
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}
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//====================================================================================================================
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doublereal MultiPhase::moleFraction(const index_t kGlob) const{
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return m_moleFractions[kGlob];
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}
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//====================================================================================================================
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bool MultiPhase::tempOK(const index_t p) const {
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return m_temp_OK[p];
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}
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//====================================================================================================================
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/// Update the locally-stored species mole fractions.
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void MultiPhase::updateMoleFractions() {
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uploadMoleFractionsFromPhases();
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}
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//====================================================================================================================
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/// Update the locally-stored species mole fractions.
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void MultiPhase::uploadMoleFractionsFromPhases() {
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index_t ip, loc = 0;
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@ -954,7 +1016,7 @@ namespace Cantera {
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}
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calcElemAbundances();
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}
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//====================================================================================================================
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//-------------------------------------------------------------
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//
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// protected methods
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@ -981,6 +1043,6 @@ namespace Cantera {
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}
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}
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}
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//====================================================================================================================
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}
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@ -85,13 +85,25 @@ namespace Cantera {
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*/
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MultiPhase();
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//! Copy Constructor
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/*!
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* @param right Object to be copied
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*/
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MultiPhase(const MultiPhase &right);
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//! Destructor.
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/*!
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* Does nothing. Class MultiPhase does not take
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* "ownership" (i.e. responsibility for destroying) the
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* phase objects.
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*/
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virtual ~MultiPhase() {}
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virtual ~MultiPhase();
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//! Assignment operator
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/*!
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* @param right Object to be copied
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*/
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MultiPhase& operator=(const MultiPhase& right);
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//! Add a vector of phases to the mixture
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/*!
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@ -258,7 +270,7 @@ namespace Cantera {
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/// conditions for which they are stable.
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doublereal maxTemp() const { return m_Tmax; }
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/// Total charge (Coulombs).
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//! Total charge summed over all phases (Coulombs).
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doublereal charge() const;
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/// Charge (Coulombs) of phase with index \a p.
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@ -267,7 +279,7 @@ namespace Cantera {
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*/
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doublereal phaseCharge(index_t p) const;
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/// Total moles of global element \a m, summed over all phases.
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//! Total moles of global element \a m, summed over all phases.
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/*!
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* @param m Index of the global element
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*/
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