Add documentation
Moved some definitions into the .cpp file
This commit is contained in:
Harry Moffat
parent
b72ca7f04a
commit
dd4fb7152d
2 changed files with 650 additions and 595 deletions
|
|
@ -21,74 +21,80 @@ using namespace std;
|
|||
|
||||
namespace Cantera {
|
||||
|
||||
Phase::Phase() :
|
||||
m_kk(-1), m_ndim(3), m_index(-1),
|
||||
m_xml(new XML_Node("phase")),
|
||||
m_id("<phase>"), m_name("")
|
||||
{
|
||||
}
|
||||
|
||||
/*
|
||||
* Copy Constructor
|
||||
*
|
||||
* This function just does the default initialization, and
|
||||
* then calls the assignment operator.
|
||||
*/
|
||||
Phase::Phase(const Phase &right) :
|
||||
Constituents(),
|
||||
State(),
|
||||
m_kk(-1),
|
||||
m_ndim(3),
|
||||
m_index(-1),
|
||||
m_xml(new XML_Node("phase")),
|
||||
m_id("<phase>"),
|
||||
m_name("")
|
||||
{
|
||||
/*
|
||||
* Copy Constructor
|
||||
*
|
||||
* This function just does the default initialization, and
|
||||
* then calls the assignment operator.
|
||||
* Call the assignment operator.
|
||||
*/
|
||||
Phase::Phase(const Phase &right) :
|
||||
Constituents(),
|
||||
State(),
|
||||
m_kk(-1),
|
||||
m_ndim(3),
|
||||
m_index(-1),
|
||||
m_xml(new XML_Node("phase")),
|
||||
m_id("<phase>"),
|
||||
m_name("")
|
||||
{
|
||||
/*
|
||||
* Call the assignment operator.
|
||||
*/
|
||||
*this = operator=(right);
|
||||
}
|
||||
*this = operator=(right);
|
||||
}
|
||||
|
||||
/*
|
||||
* Assignment operator
|
||||
*
|
||||
* This operation is sort of complicated. We have to
|
||||
* call the assignment operator for the Constituents and
|
||||
* State operators that Phase inherits from. Then,
|
||||
* we have to copy our own data, making sure to do a
|
||||
* deep copy on the XML_Node data owned by this object.
|
||||
*/
|
||||
Phase &Phase::operator=(const Phase &right) {
|
||||
/*
|
||||
* Assignment operator
|
||||
*
|
||||
* This operation is sort of complicated. We have to
|
||||
* call the assignment operator for the Constituents and
|
||||
* State operators that Phase inherits from. Then,
|
||||
* we have to copy our own data, making sure to do a
|
||||
* deep copy on the XML_Node data owned by this object.
|
||||
* Check for self assignment.
|
||||
*/
|
||||
Phase &Phase::operator=(const Phase &right) {
|
||||
/*
|
||||
* Check for self assignment.
|
||||
*/
|
||||
if (this == &right) return *this;
|
||||
/*
|
||||
* Now call the inherited-classes assignment operators.
|
||||
*/
|
||||
(void) Constituents::operator=(right);
|
||||
(void) State::operator=(right);
|
||||
/*
|
||||
* Handle its own data
|
||||
*/
|
||||
m_kk = right.m_kk;
|
||||
m_ndim = right.m_ndim;
|
||||
m_index = right.m_index;
|
||||
m_data = right.m_data;
|
||||
/*
|
||||
* This is a little complicated. -> Because we delete m_xml
|
||||
* in the destructor, we own m_xml completely, and we need
|
||||
* to have our own individual copies of the XML data tree
|
||||
* in each object
|
||||
*/
|
||||
if (m_xml) {
|
||||
delete m_xml;
|
||||
m_xml = 0;
|
||||
}
|
||||
if (right.m_xml) {
|
||||
m_xml = new XML_Node();
|
||||
(right.m_xml)->copy(m_xml);
|
||||
}
|
||||
m_id = right.m_id;
|
||||
m_name = right.m_name;
|
||||
|
||||
return *this;
|
||||
if (this == &right) return *this;
|
||||
/*
|
||||
* Now call the inherited-classes assignment operators.
|
||||
*/
|
||||
(void) Constituents::operator=(right);
|
||||
(void) State::operator=(right);
|
||||
/*
|
||||
* Handle its own data
|
||||
*/
|
||||
m_kk = right.m_kk;
|
||||
m_ndim = right.m_ndim;
|
||||
m_index = right.m_index;
|
||||
m_data = right.m_data;
|
||||
/*
|
||||
* This is a little complicated. -> Because we delete m_xml
|
||||
* in the destructor, we own m_xml completely, and we need
|
||||
* to have our own individual copies of the XML data tree
|
||||
* in each object
|
||||
*/
|
||||
if (m_xml) {
|
||||
delete m_xml;
|
||||
m_xml = 0;
|
||||
}
|
||||
if (right.m_xml) {
|
||||
m_xml = new XML_Node();
|
||||
(right.m_xml)->copy(m_xml);
|
||||
}
|
||||
m_id = right.m_id;
|
||||
m_name = right.m_name;
|
||||
|
||||
return *this;
|
||||
}
|
||||
|
||||
// Destructor.
|
||||
Phase::~Phase() {
|
||||
|
|
@ -98,248 +104,266 @@ namespace Cantera {
|
|||
}
|
||||
}
|
||||
|
||||
XML_Node& Phase::xml() {
|
||||
return *m_xml;
|
||||
}
|
||||
|
||||
void Phase::saveState(vector_fp& state) const {
|
||||
state.resize(nSpecies() + 2);
|
||||
saveState(state.size(),&(state[0]));
|
||||
}
|
||||
void Phase::saveState(int lenstate, doublereal* state) const {
|
||||
state[0] = temperature();
|
||||
state[1] = density();
|
||||
getMassFractions(state + 2);
|
||||
}
|
||||
std::string Phase::id() const {
|
||||
return m_id;
|
||||
}
|
||||
|
||||
void Phase::restoreState(const vector_fp& state) {
|
||||
restoreState(state.size(),&state[0]);
|
||||
}
|
||||
void Phase::setID(std::string id) {
|
||||
m_id = id;
|
||||
}
|
||||
|
||||
void Phase::restoreState(int lenstate, const doublereal* state) {
|
||||
if (int(lenstate) >= nSpecies() + 2) {
|
||||
setMassFractions_NoNorm(state + 2);
|
||||
setTemperature(state[0]);
|
||||
setDensity(state[1]);
|
||||
}
|
||||
else {
|
||||
throw ArraySizeError("Phase::restoreState",
|
||||
lenstate,nSpecies()+2);
|
||||
}
|
||||
}
|
||||
std::string Phase::name() const {
|
||||
return m_name;
|
||||
}
|
||||
|
||||
void Phase::setMoleFractionsByName(compositionMap& xMap) {
|
||||
int kk = nSpecies();
|
||||
doublereal x;
|
||||
vector_fp mf(kk, 0.0);
|
||||
for (int k = 0; k < kk; k++) {
|
||||
x = xMap[speciesName(k)];
|
||||
if (x > 0.0) mf[k] = x;
|
||||
}
|
||||
setMoleFractions(&mf[0]);
|
||||
}
|
||||
void Phase::setName(std::string nm) {
|
||||
m_name = nm;
|
||||
}
|
||||
|
||||
void Phase::setMoleFractionsByName(const std::string& x) {
|
||||
compositionMap xx;
|
||||
int kk = nSpecies();
|
||||
for (int k = 0; k < kk; k++) {
|
||||
xx[speciesName(k)] = -1.0;
|
||||
}
|
||||
parseCompString(x, xx);
|
||||
setMoleFractionsByName(xx);
|
||||
//int kk = nSpecies();
|
||||
//vector_fp mf(kk);
|
||||
//for (int k = 0; k < kk; k++) {
|
||||
// mf[k] = xx[speciesName(k)];
|
||||
//}
|
||||
//setMoleFractions(mf.begin());
|
||||
}
|
||||
int Phase::index() const {
|
||||
return m_index;
|
||||
}
|
||||
|
||||
void Phase::setMassFractionsByName(compositionMap& yMap) {
|
||||
int kk = nSpecies();
|
||||
doublereal y;
|
||||
vector_fp mf(kk, 0.0);
|
||||
for (int k = 0; k < kk; k++) {
|
||||
y = yMap[speciesName(k)];
|
||||
if (y > 0.0) mf[k] = y;
|
||||
}
|
||||
setMassFractions(&mf[0]);
|
||||
}
|
||||
void Phase::setIndex(int m) {
|
||||
m_index = m;
|
||||
}
|
||||
|
||||
void Phase::setMassFractionsByName(const std::string& y) {
|
||||
compositionMap yy;
|
||||
int kk = nSpecies();
|
||||
for (int k = 0; k < kk; k++) {
|
||||
yy[speciesName(k)] = -1.0;
|
||||
}
|
||||
parseCompString(y, yy);
|
||||
setMassFractionsByName(yy);
|
||||
}
|
||||
void Phase::saveState(vector_fp& state) const {
|
||||
state.resize(nSpecies() + 2);
|
||||
saveState(state.size(),&(state[0]));
|
||||
}
|
||||
void Phase::saveState(int lenstate, doublereal* state) const {
|
||||
state[0] = temperature();
|
||||
state[1] = density();
|
||||
getMassFractions(state + 2);
|
||||
}
|
||||
|
||||
/** Set the temperature (K), density (kg/m^3), and mole fractions. */
|
||||
void Phase::setState_TRX(doublereal t, doublereal dens,
|
||||
const doublereal* x) {
|
||||
setMoleFractions(x); setTemperature(t); setDensity(dens);
|
||||
}
|
||||
void Phase::restoreState(const vector_fp& state) {
|
||||
restoreState(state.size(),&state[0]);
|
||||
}
|
||||
|
||||
void Phase::setState_TNX(doublereal t, doublereal n,
|
||||
const doublereal* x) {
|
||||
setMoleFractions(x); setTemperature(t); setMolarDensity(n);
|
||||
}
|
||||
|
||||
/** Set the temperature (K), density (kg/m^3), and mole fractions. */
|
||||
void Phase::setState_TRX(doublereal t, doublereal dens,
|
||||
compositionMap& x) {
|
||||
setMoleFractionsByName(x); setTemperature(t); setDensity(dens);
|
||||
}
|
||||
|
||||
/** Set the temperature (K), density (kg/m^3), and mass fractions. */
|
||||
void Phase::setState_TRY(doublereal t, doublereal dens,
|
||||
const doublereal* y) {
|
||||
setMassFractions(y); setTemperature(t); setDensity(dens);
|
||||
}
|
||||
|
||||
/** Set the temperature (K), density (kg/m^3), and mass fractions. */
|
||||
void Phase::setState_TRY(doublereal t, doublereal dens,
|
||||
compositionMap& y) {
|
||||
setMassFractionsByName(y); setTemperature(t); setDensity(dens);
|
||||
}
|
||||
|
||||
/** Set the temperature (K) and density (kg/m^3) */
|
||||
void Phase::setState_TR(doublereal t, doublereal rho) {
|
||||
setTemperature(t); setDensity(rho);
|
||||
}
|
||||
|
||||
/** Set the temperature (K) and mole fractions. */
|
||||
void Phase::setState_TX(doublereal t, doublereal* x) {
|
||||
setTemperature(t); setMoleFractions(x);
|
||||
}
|
||||
|
||||
/** Set the temperature (K) and mass fractions. */
|
||||
void Phase::setState_TY(doublereal t, doublereal* y) {
|
||||
setTemperature(t); setMassFractions(y);
|
||||
}
|
||||
|
||||
/** Set the density (kg/m^3) and mole fractions. */
|
||||
void Phase::setState_RX(doublereal rho, doublereal* x) {
|
||||
setMoleFractions(x); setDensity(rho);
|
||||
}
|
||||
|
||||
/** Set the density (kg/m^3) and mass fractions. */
|
||||
void Phase::setState_RY(doublereal rho, doublereal* y) {
|
||||
setMassFractions(y); setDensity(rho);
|
||||
}
|
||||
|
||||
/*
|
||||
* Copy the vector of molecular weights into vector weights.
|
||||
*/
|
||||
void Phase::getMolecularWeights(vector_fp& weights) const {
|
||||
const array_fp& mw = Constituents::molecularWeights();
|
||||
if (weights.size() < mw.size()) weights.resize(mw.size());
|
||||
copy(mw.begin(), mw.end(), weights.begin());
|
||||
}
|
||||
|
||||
/*
|
||||
* Copy the vector of molecular weights into array weights.
|
||||
* @deprecated
|
||||
*/
|
||||
void Phase::getMolecularWeights(int iwt, doublereal* weights) const {
|
||||
const array_fp& mw = Constituents::molecularWeights();
|
||||
copy(mw.begin(), mw.end(), weights);
|
||||
}
|
||||
|
||||
/*
|
||||
* Copy the vector of molecular weights into array weights.
|
||||
*/
|
||||
void Phase::getMolecularWeights(doublereal* weights) const {
|
||||
const array_fp& mw = Constituents::molecularWeights();
|
||||
copy(mw.begin(), mw.end(), weights);
|
||||
}
|
||||
|
||||
/**
|
||||
* Return a const reference to the internal vector of
|
||||
* molecular weights.
|
||||
*/
|
||||
const array_fp& Phase::molecularWeights() const {
|
||||
return Constituents::molecularWeights();
|
||||
}
|
||||
|
||||
|
||||
/**
|
||||
* Get the mole fractions by name.
|
||||
*/
|
||||
void Phase::getMoleFractionsByName(compositionMap& x) const {
|
||||
x.clear();
|
||||
int kk = nSpecies();
|
||||
for (int k = 0; k < kk; k++) {
|
||||
x[speciesName(k)] = State::moleFraction(k);
|
||||
}
|
||||
}
|
||||
|
||||
doublereal Phase::moleFraction(int k) const {
|
||||
return State::moleFraction(k);
|
||||
}
|
||||
|
||||
doublereal Phase::moleFraction(std::string name) const {
|
||||
int iloc = speciesIndex(name);
|
||||
if (iloc >= 0) return State::moleFraction(iloc);
|
||||
else return 0.0;
|
||||
}
|
||||
|
||||
doublereal Phase::massFraction(int k) const {
|
||||
return State::massFraction(k);
|
||||
}
|
||||
|
||||
doublereal Phase::massFraction(std::string name) const {
|
||||
int iloc = speciesIndex(name);
|
||||
if (iloc >= 0) return massFractions()[iloc];
|
||||
else return 0.0;
|
||||
}
|
||||
|
||||
doublereal Phase::chargeDensity() const {
|
||||
int k;
|
||||
int nsp = nSpecies();
|
||||
doublereal cdens = 0.0;
|
||||
for (k = 0; k < nsp; k++)
|
||||
cdens += charge(k)*State::moleFraction(k);
|
||||
cdens *= Faraday;
|
||||
return cdens;
|
||||
void Phase::restoreState(int lenstate, const doublereal* state) {
|
||||
if (int(lenstate) >= nSpecies() + 2) {
|
||||
setMassFractions_NoNorm(state + 2);
|
||||
setTemperature(state[0]);
|
||||
setDensity(state[1]);
|
||||
}
|
||||
else {
|
||||
throw ArraySizeError("Phase::restoreState",
|
||||
lenstate,nSpecies()+2);
|
||||
}
|
||||
}
|
||||
|
||||
void Phase::setMoleFractionsByName(compositionMap& xMap) {
|
||||
int kk = nSpecies();
|
||||
doublereal x;
|
||||
vector_fp mf(kk, 0.0);
|
||||
for (int k = 0; k < kk; k++) {
|
||||
x = xMap[speciesName(k)];
|
||||
if (x > 0.0) mf[k] = x;
|
||||
}
|
||||
setMoleFractions(&mf[0]);
|
||||
}
|
||||
|
||||
void Phase::setMoleFractionsByName(const std::string& x) {
|
||||
compositionMap xx;
|
||||
int kk = nSpecies();
|
||||
for (int k = 0; k < kk; k++) {
|
||||
xx[speciesName(k)] = -1.0;
|
||||
}
|
||||
parseCompString(x, xx);
|
||||
setMoleFractionsByName(xx);
|
||||
//int kk = nSpecies();
|
||||
//vector_fp mf(kk);
|
||||
//for (int k = 0; k < kk; k++) {
|
||||
// mf[k] = xx[speciesName(k)];
|
||||
//}
|
||||
//setMoleFractions(mf.begin());
|
||||
}
|
||||
|
||||
void Phase::setMassFractionsByName(compositionMap& yMap) {
|
||||
int kk = nSpecies();
|
||||
doublereal y;
|
||||
vector_fp mf(kk, 0.0);
|
||||
for (int k = 0; k < kk; k++) {
|
||||
y = yMap[speciesName(k)];
|
||||
if (y > 0.0) mf[k] = y;
|
||||
}
|
||||
setMassFractions(&mf[0]);
|
||||
}
|
||||
|
||||
void Phase::setMassFractionsByName(const std::string& y) {
|
||||
compositionMap yy;
|
||||
int kk = nSpecies();
|
||||
for (int k = 0; k < kk; k++) {
|
||||
yy[speciesName(k)] = -1.0;
|
||||
}
|
||||
parseCompString(y, yy);
|
||||
setMassFractionsByName(yy);
|
||||
}
|
||||
|
||||
/** Set the temperature (K), density (kg/m^3), and mole fractions. */
|
||||
void Phase::setState_TRX(doublereal t, doublereal dens,
|
||||
const doublereal* x) {
|
||||
setMoleFractions(x); setTemperature(t); setDensity(dens);
|
||||
}
|
||||
|
||||
void Phase::setState_TNX(doublereal t, doublereal n,
|
||||
const doublereal* x) {
|
||||
setMoleFractions(x); setTemperature(t); setMolarDensity(n);
|
||||
}
|
||||
|
||||
/** Set the temperature (K), density (kg/m^3), and mole fractions. */
|
||||
void Phase::setState_TRX(doublereal t, doublereal dens,
|
||||
compositionMap& x) {
|
||||
setMoleFractionsByName(x); setTemperature(t); setDensity(dens);
|
||||
}
|
||||
|
||||
/** Set the temperature (K), density (kg/m^3), and mass fractions. */
|
||||
void Phase::setState_TRY(doublereal t, doublereal dens,
|
||||
const doublereal* y) {
|
||||
setMassFractions(y); setTemperature(t); setDensity(dens);
|
||||
}
|
||||
|
||||
/** Set the temperature (K), density (kg/m^3), and mass fractions. */
|
||||
void Phase::setState_TRY(doublereal t, doublereal dens,
|
||||
compositionMap& y) {
|
||||
setMassFractionsByName(y); setTemperature(t); setDensity(dens);
|
||||
}
|
||||
|
||||
/** Set the temperature (K) and density (kg/m^3) */
|
||||
void Phase::setState_TR(doublereal t, doublereal rho) {
|
||||
setTemperature(t); setDensity(rho);
|
||||
}
|
||||
|
||||
/** Set the temperature (K) and mole fractions. */
|
||||
void Phase::setState_TX(doublereal t, doublereal* x) {
|
||||
setTemperature(t); setMoleFractions(x);
|
||||
}
|
||||
|
||||
/** Set the temperature (K) and mass fractions. */
|
||||
void Phase::setState_TY(doublereal t, doublereal* y) {
|
||||
setTemperature(t); setMassFractions(y);
|
||||
}
|
||||
|
||||
/** Set the density (kg/m^3) and mole fractions. */
|
||||
void Phase::setState_RX(doublereal rho, doublereal* x) {
|
||||
setMoleFractions(x); setDensity(rho);
|
||||
}
|
||||
|
||||
/** Set the density (kg/m^3) and mass fractions. */
|
||||
void Phase::setState_RY(doublereal rho, doublereal* y) {
|
||||
setMassFractions(y); setDensity(rho);
|
||||
}
|
||||
|
||||
/*
|
||||
* Copy the vector of molecular weights into vector weights.
|
||||
*/
|
||||
void Phase::getMolecularWeights(vector_fp& weights) const {
|
||||
const array_fp& mw = Constituents::molecularWeights();
|
||||
if (weights.size() < mw.size()) weights.resize(mw.size());
|
||||
copy(mw.begin(), mw.end(), weights.begin());
|
||||
}
|
||||
|
||||
/*
|
||||
* Copy the vector of molecular weights into array weights.
|
||||
* @deprecated
|
||||
*/
|
||||
void Phase::getMolecularWeights(int iwt, doublereal* weights) const {
|
||||
const array_fp& mw = Constituents::molecularWeights();
|
||||
copy(mw.begin(), mw.end(), weights);
|
||||
}
|
||||
|
||||
/*
|
||||
* Copy the vector of molecular weights into array weights.
|
||||
*/
|
||||
void Phase::getMolecularWeights(doublereal* weights) const {
|
||||
const array_fp& mw = Constituents::molecularWeights();
|
||||
copy(mw.begin(), mw.end(), weights);
|
||||
}
|
||||
|
||||
/**
|
||||
* Return a const reference to the internal vector of
|
||||
* molecular weights.
|
||||
*/
|
||||
const array_fp& Phase::molecularWeights() const {
|
||||
return Constituents::molecularWeights();
|
||||
}
|
||||
|
||||
|
||||
// void Phase::update_T(int n) const {
|
||||
// m_T_updater.update(n);
|
||||
// }
|
||||
/**
|
||||
* Get the mole fractions by name.
|
||||
*/
|
||||
void Phase::getMoleFractionsByName(compositionMap& x) const {
|
||||
x.clear();
|
||||
int kk = nSpecies();
|
||||
for (int k = 0; k < kk; k++) {
|
||||
x[speciesName(k)] = State::moleFraction(k);
|
||||
}
|
||||
}
|
||||
|
||||
// void Phase::update_C(int n) const {
|
||||
// m_C_updater.update(n);
|
||||
// }
|
||||
doublereal Phase::moleFraction(int k) const {
|
||||
return State::moleFraction(k);
|
||||
}
|
||||
|
||||
/**
|
||||
* Finished adding species, prepare to use them for calculation
|
||||
* of mixture properties.
|
||||
*/
|
||||
void Phase::freezeSpecies() {
|
||||
Constituents::freezeSpecies();
|
||||
init(Constituents::molecularWeights());
|
||||
int kk = nSpecies();
|
||||
int nv = kk + 2;
|
||||
m_data.resize(nv,0.0);
|
||||
m_data[0] = 300.0;
|
||||
m_data[1] = 0.001;
|
||||
m_data[2] = 1.0;
|
||||
doublereal Phase::moleFraction(std::string name) const {
|
||||
int iloc = speciesIndex(name);
|
||||
if (iloc >= 0) return State::moleFraction(iloc);
|
||||
else return 0.0;
|
||||
}
|
||||
|
||||
//setState_TRY(300.0, density(), &m_data[2]);
|
||||
doublereal Phase::massFraction(int k) const {
|
||||
return State::massFraction(k);
|
||||
}
|
||||
|
||||
m_kk = nSpecies();
|
||||
}
|
||||
doublereal Phase::massFraction(std::string name) const {
|
||||
int iloc = speciesIndex(name);
|
||||
if (iloc >= 0) return massFractions()[iloc];
|
||||
else return 0.0;
|
||||
}
|
||||
|
||||
bool Phase::ready() const {
|
||||
return (m_kk > 0 && Constituents::ready() && State::ready());
|
||||
}
|
||||
doublereal Phase::chargeDensity() const {
|
||||
int k;
|
||||
int nsp = nSpecies();
|
||||
doublereal cdens = 0.0;
|
||||
for (k = 0; k < nsp; k++)
|
||||
cdens += charge(k)*State::moleFraction(k);
|
||||
cdens *= Faraday;
|
||||
return cdens;
|
||||
}
|
||||
|
||||
// int Phase::installUpdater_T(Updater* u) {
|
||||
// return m_T_updater.install(u);
|
||||
// }
|
||||
/**
|
||||
* Finished adding species, prepare to use them for calculation
|
||||
* of mixture properties.
|
||||
*/
|
||||
void Phase::freezeSpecies() {
|
||||
Constituents::freezeSpecies();
|
||||
init(Constituents::molecularWeights());
|
||||
int kk = nSpecies();
|
||||
int nv = kk + 2;
|
||||
m_data.resize(nv,0.0);
|
||||
m_data[0] = 300.0;
|
||||
m_data[1] = 0.001;
|
||||
m_data[2] = 1.0;
|
||||
|
||||
// int Phase::installUpdater_C(Updater* u) {
|
||||
// return m_C_updater.install(u);
|
||||
// }
|
||||
//setState_TRY(300.0, density(), &m_data[2]);
|
||||
|
||||
m_kk = nSpecies();
|
||||
}
|
||||
|
||||
bool Phase::ready() const {
|
||||
return (m_kk > 0 && Constituents::ready() && State::ready());
|
||||
}
|
||||
|
||||
// int Phase::installUpdater_T(Updater* u) {
|
||||
// return m_T_updater.install(u);
|
||||
// }
|
||||
|
||||
// int Phase::installUpdater_C(Updater* u) {
|
||||
// return m_C_updater.install(u);
|
||||
// }
|
||||
}
|
||||
|
|
|
|||
|
|
@ -26,7 +26,7 @@ using namespace ctml;
|
|||
|
||||
namespace Cantera {
|
||||
|
||||
|
||||
|
||||
/**
|
||||
* @defgroup phases Models of Phases of Matter
|
||||
*
|
||||
|
|
@ -138,7 +138,7 @@ namespace Cantera {
|
|||
* vector, which is in general of length (2 + nSpecies()). The first
|
||||
* two entries of the state vector is temperature and density.
|
||||
*
|
||||
*
|
||||
*
|
||||
* @todo
|
||||
* Make the concept of saving state vectors more general, so that
|
||||
* it can handle other cases where there are additional internal state
|
||||
|
|
@ -146,367 +146,398 @@ namespace Cantera {
|
|||
*
|
||||
* @ingroup phases
|
||||
*/
|
||||
class Phase : public Constituents, public State {
|
||||
class Phase : public Constituents, public State {
|
||||
|
||||
public:
|
||||
public:
|
||||
|
||||
/// Default constructor.
|
||||
Phase() : m_kk(-1), m_ndim(3), m_index(-1),
|
||||
m_xml(new XML_Node("phase")),
|
||||
m_id("<phase>"), m_name("") {}
|
||||
/// Default constructor.
|
||||
Phase();
|
||||
|
||||
/// Destructor.
|
||||
virtual ~Phase();
|
||||
/// Destructor.
|
||||
virtual ~Phase();
|
||||
|
||||
/**
|
||||
* Copy Constructor
|
||||
*
|
||||
* @param right Reference to the class to be used in the copy
|
||||
*/
|
||||
Phase(const Phase &right);
|
||||
/**
|
||||
* Copy Constructor
|
||||
*
|
||||
* @param right Reference to the class to be used in the copy
|
||||
*/
|
||||
Phase(const Phase &right);
|
||||
|
||||
/**
|
||||
* Assignment operator
|
||||
*
|
||||
* @param right Reference to the class to be used in the copy
|
||||
*/
|
||||
Phase &operator=(const Phase &right);
|
||||
/**
|
||||
* Assignment operator
|
||||
*
|
||||
* @param right Reference to the class to be used in the copy
|
||||
*/
|
||||
Phase &operator=(const Phase &right);
|
||||
|
||||
//! Returns a reference to the XML_Node storred for the phase
|
||||
/*!
|
||||
* The XML_Node for the phase contains all of the input data used
|
||||
* to set up the model for the phase, during its initialization.
|
||||
*/
|
||||
XML_Node& xml() { return *m_xml; }
|
||||
//! Returns a reference to the XML_Node storred for the phase
|
||||
/*!
|
||||
* The XML_Node for the phase contains all of the input data used
|
||||
* to set up the model for the phase, during its initialization.
|
||||
*/
|
||||
XML_Node& xml();
|
||||
|
||||
//! Return the string id for the phase
|
||||
std::string id() const { return m_id; }
|
||||
//! Return the string id for the phase
|
||||
/*!
|
||||
* Returns the id of the phase. The ID of the phase
|
||||
* is set to the string name of the phase within the XML file
|
||||
* Generally, it refers to the individual model name that
|
||||
* denotes the species, the thermo, and the reaction rate info.
|
||||
*/
|
||||
std::string id() const;
|
||||
|
||||
//! Set the string id for the phase
|
||||
/*!
|
||||
* @param id String id of the phase
|
||||
*/
|
||||
void setID(std::string id) {m_id = id;}
|
||||
//! Set the string id for the phase
|
||||
/*!
|
||||
* Sets the id of the phase. The ID of the phase
|
||||
* is originally set to the string name of the phase within the XML file.
|
||||
* Generally, it refers to the individual model name that
|
||||
* denotes the species, the thermo, and the reaction rate info.
|
||||
*
|
||||
* @param id String id of the phase
|
||||
*/
|
||||
void setID(std::string id);
|
||||
|
||||
//! Return the name of the phase
|
||||
std::string name() const { return m_name; }
|
||||
//! Return the name of the phase
|
||||
/*!
|
||||
* Returns the name of the phase. The name of the phase
|
||||
* is set to the string name of the phase within the XML file
|
||||
* Generally, it refers to the individual model name that
|
||||
* denotes the species, the thermo, and the reaction rate info.
|
||||
* It may also refer more specifically to a location within
|
||||
* the domain.
|
||||
*/
|
||||
std::string name() const;
|
||||
|
||||
//! Sets the string name for the phase
|
||||
/*!
|
||||
* @param nm String name of the phase
|
||||
*/
|
||||
void setName(std::string nm) { m_name = nm; }
|
||||
//! Sets the string name for the phase
|
||||
/*!
|
||||
* Sets the name of the phase. The name of the phase
|
||||
* is originally set to the string name of the phase within the XML file.
|
||||
* Generally, it refers to the individual model name that
|
||||
* denotes the species, the thermo, and the reaction rate info.
|
||||
* It may also refer more specifically to a location within
|
||||
* the domain.
|
||||
*
|
||||
* @param nm String name of the phase
|
||||
*/
|
||||
void setName(std::string nm);
|
||||
|
||||
//! Returns the index of the phase
|
||||
int index() const { return m_index; }
|
||||
//! Returns the index of the phase
|
||||
/*!
|
||||
* The index is used in the Python and matlab interfaces to
|
||||
* index into a list of ThermoPhase objects
|
||||
*/
|
||||
int index() const;
|
||||
|
||||
//! Sets the index of the phase
|
||||
/*!
|
||||
* @param m Integer index of the phase
|
||||
*/
|
||||
void setIndex(int m) { m_index = m; }
|
||||
//! Sets the index of the phase
|
||||
/*!
|
||||
* The index is used in the Python and matlab interfaces to
|
||||
* index into a list of ThermoPhase objects
|
||||
*
|
||||
* @param m Integer index of the phase
|
||||
*/
|
||||
void setIndex(int m);
|
||||
|
||||
//! Save the current internal state of the phase
|
||||
/*!
|
||||
* Write to vector 'state' the current internal state.
|
||||
*
|
||||
* @param state output vector. Will be resized to nSpecies() + 2 on return.
|
||||
*/
|
||||
void saveState(vector_fp& state) const;
|
||||
//! Save the current internal state of the phase
|
||||
/*!
|
||||
* Write to vector 'state' the current internal state.
|
||||
*
|
||||
* @param state output vector. Will be resized to nSpecies() + 2 on return.
|
||||
*/
|
||||
void saveState(vector_fp& state) const;
|
||||
|
||||
//! Write to array 'state' the current internal state.
|
||||
/*!
|
||||
* @param lenstate length of the state array. Must be >= nSpecies() + 2
|
||||
* @param state output vector. Must be of length nSpecies() + 2 or
|
||||
* greater.
|
||||
*/
|
||||
void saveState(int lenstate, doublereal* state) const;
|
||||
//! Write to array 'state' the current internal state.
|
||||
/*!
|
||||
* @param lenstate length of the state array. Must be >= nSpecies() + 2
|
||||
* @param state output vector. Must be of length nSpecies() + 2 or
|
||||
* greater.
|
||||
*/
|
||||
void saveState(int lenstate, doublereal* state) const;
|
||||
|
||||
//!Restore a state saved on a previous call to saveState.
|
||||
/*!
|
||||
* @param state State vector containing the previously saved state.
|
||||
*/
|
||||
void restoreState(const vector_fp& state);
|
||||
//!Restore a state saved on a previous call to saveState.
|
||||
/*!
|
||||
* @param state State vector containing the previously saved state.
|
||||
*/
|
||||
void restoreState(const vector_fp& state);
|
||||
|
||||
//! Restore the state of the phase from a previously saved state vector.
|
||||
/*!
|
||||
* @param lenstate Length of the state vector
|
||||
* @param state Vector of state conditions.
|
||||
*/
|
||||
void restoreState(int lenstate, const doublereal* state);
|
||||
//! Restore the state of the phase from a previously saved state vector.
|
||||
/*!
|
||||
* @param lenstate Length of the state vector
|
||||
* @param state Vector of state conditions.
|
||||
*/
|
||||
void restoreState(int lenstate, const doublereal* state);
|
||||
|
||||
/**
|
||||
* Set the species mole fractions by name.
|
||||
* @param xMap map from species names to mole fraction values.
|
||||
* Species not listed by name in \c xMap are set to zero.
|
||||
*/
|
||||
void setMoleFractionsByName(compositionMap& xMap);
|
||||
/**
|
||||
* Set the species mole fractions by name.
|
||||
* @param xMap map from species names to mole fraction values.
|
||||
* Species not listed by name in \c xMap are set to zero.
|
||||
*/
|
||||
void setMoleFractionsByName(compositionMap& xMap);
|
||||
|
||||
//! Set the mole fractions of a group of species by name
|
||||
/*!
|
||||
* The string x is in the form of a composition map
|
||||
* Species which are not listed by name in the composition
|
||||
* map are set to zero.
|
||||
*
|
||||
* @param x string x in the form of a composition map
|
||||
*/
|
||||
void setMoleFractionsByName(const std::string& x);
|
||||
//! Set the mole fractions of a group of species by name
|
||||
/*!
|
||||
* The string x is in the form of a composition map
|
||||
* Species which are not listed by name in the composition
|
||||
* map are set to zero.
|
||||
*
|
||||
* @param x string x in the form of a composition map
|
||||
*/
|
||||
void setMoleFractionsByName(const std::string& x);
|
||||
|
||||
/**
|
||||
* Set the species mass fractions by name.
|
||||
* @param yMap map from species names to mass fraction values.
|
||||
* Species not listed by name in \c yMap are set to zero.
|
||||
*/
|
||||
void setMassFractionsByName(compositionMap& yMap);
|
||||
/**
|
||||
* Set the species mass fractions by name.
|
||||
* @param yMap map from species names to mass fraction values.
|
||||
* Species not listed by name in \c yMap are set to zero.
|
||||
*/
|
||||
void setMassFractionsByName(compositionMap& yMap);
|
||||
|
||||
|
||||
//! Set the species mass fractions by name.
|
||||
/*!
|
||||
* Species not listed by name in \c x are set to zero.
|
||||
*
|
||||
* @param x String containing a composition map
|
||||
*/
|
||||
void setMassFractionsByName(const std::string& x);
|
||||
//! Set the species mass fractions by name.
|
||||
/*!
|
||||
* Species not listed by name in \c x are set to zero.
|
||||
*
|
||||
* @param x String containing a composition map
|
||||
*/
|
||||
void setMassFractionsByName(const std::string& x);
|
||||
|
||||
//! Set the internally storred temperature (K), density, and mole fractions.
|
||||
/*!
|
||||
* Note, the mole fractions are always set first, before the density
|
||||
*
|
||||
* @param t Temperature in kelvin
|
||||
* @param dens Density (kg/m^3)
|
||||
* @param x vector of species mole fractions.
|
||||
* Length is equal to m_kk
|
||||
*/
|
||||
void setState_TRX(doublereal t, doublereal dens, const doublereal* x);
|
||||
//! Set the internally storred temperature (K), density, and mole fractions.
|
||||
/*!
|
||||
* Note, the mole fractions are always set first, before the density
|
||||
*
|
||||
* @param t Temperature in kelvin
|
||||
* @param dens Density (kg/m^3)
|
||||
* @param x vector of species mole fractions.
|
||||
* Length is equal to m_kk
|
||||
*/
|
||||
void setState_TRX(doublereal t, doublereal dens, const doublereal* x);
|
||||
|
||||
|
||||
//! Set the internally storred temperature (K), density, and mole fractions.
|
||||
/*!
|
||||
* Note, the mole fractions are always set first, before the density
|
||||
*
|
||||
* @param t Temperature in kelvin
|
||||
* @param dens Density (kg/m^3)
|
||||
* @param x Composition Map containing the mole fractions.
|
||||
* Species not included in the map are assumed to have
|
||||
* a zero mole fraction.
|
||||
*/
|
||||
void setState_TRX(doublereal t, doublereal dens, compositionMap& x);
|
||||
//! Set the internally storred temperature (K), density, and mole fractions.
|
||||
/*!
|
||||
* Note, the mole fractions are always set first, before the density
|
||||
*
|
||||
* @param t Temperature in kelvin
|
||||
* @param dens Density (kg/m^3)
|
||||
* @param x Composition Map containing the mole fractions.
|
||||
* Species not included in the map are assumed to have
|
||||
* a zero mole fraction.
|
||||
*/
|
||||
void setState_TRX(doublereal t, doublereal dens, compositionMap& x);
|
||||
|
||||
//! Set the internally storred temperature (K), density, and mass fractions.
|
||||
/*!
|
||||
* Note, the mass fractions are always set first, before the density
|
||||
*
|
||||
* @param t Temperature in kelvin
|
||||
* @param dens Density (kg/m^3)
|
||||
* @param y vector of species mass fractions.
|
||||
* Length is equal to m_kk
|
||||
*/
|
||||
void setState_TRY(doublereal t, doublereal dens, const doublereal* y);
|
||||
//! Set the internally storred temperature (K), density, and mass fractions.
|
||||
/*!
|
||||
* Note, the mass fractions are always set first, before the density
|
||||
*
|
||||
* @param t Temperature in kelvin
|
||||
* @param dens Density (kg/m^3)
|
||||
* @param y vector of species mass fractions.
|
||||
* Length is equal to m_kk
|
||||
*/
|
||||
void setState_TRY(doublereal t, doublereal dens, const doublereal* y);
|
||||
|
||||
//! Set the internally storred temperature (K), density, and mass fractions.
|
||||
/*!
|
||||
* Note, the mass fractions are always set first, before the density
|
||||
*
|
||||
* @param t Temperature in kelvin
|
||||
* @param dens Density (kg/m^3)
|
||||
* @param y Composition Map containing the mass fractions.
|
||||
* Species not included in the map are assumed to have
|
||||
* a zero mass fraction.
|
||||
*/
|
||||
void setState_TRY(doublereal t, doublereal dens, compositionMap& y);
|
||||
//! Set the internally storred temperature (K), density, and mass fractions.
|
||||
/*!
|
||||
* Note, the mass fractions are always set first, before the density
|
||||
*
|
||||
* @param t Temperature in kelvin
|
||||
* @param dens Density (kg/m^3)
|
||||
* @param y Composition Map containing the mass fractions.
|
||||
* Species not included in the map are assumed to have
|
||||
* a zero mass fraction.
|
||||
*/
|
||||
void setState_TRY(doublereal t, doublereal dens, compositionMap& y);
|
||||
|
||||
//! Set the internally storred temperature (K), molar density (kmol/m^3), and mole fractions.
|
||||
/*!
|
||||
* Note, the mole fractions are always set first, before the molar density
|
||||
*
|
||||
* @param t Temperature in kelvin
|
||||
* @param n molar density (kmol/m^3)
|
||||
* @param x vector of species mole fractions.
|
||||
* Length is equal to m_kk
|
||||
*/
|
||||
void setState_TNX(doublereal t, doublereal n, const doublereal* x);
|
||||
//! Set the internally storred temperature (K), molar density (kmol/m^3), and mole fractions.
|
||||
/*!
|
||||
* Note, the mole fractions are always set first, before the molar density
|
||||
*
|
||||
* @param t Temperature in kelvin
|
||||
* @param n molar density (kmol/m^3)
|
||||
* @param x vector of species mole fractions.
|
||||
* Length is equal to m_kk
|
||||
*/
|
||||
void setState_TNX(doublereal t, doublereal n, const doublereal* x);
|
||||
|
||||
//! Set the internally storred temperature (K) and density (kg/m^3)
|
||||
/*!
|
||||
* @param t Temperature in kelvin
|
||||
* @param rho Density (kg/m^3)
|
||||
*/
|
||||
void setState_TR(doublereal t, doublereal rho);
|
||||
//! Set the internally storred temperature (K) and density (kg/m^3)
|
||||
/*!
|
||||
* @param t Temperature in kelvin
|
||||
* @param rho Density (kg/m^3)
|
||||
*/
|
||||
void setState_TR(doublereal t, doublereal rho);
|
||||
|
||||
//! Set the internally storred temperature (K) and mole fractions.
|
||||
/*!
|
||||
* @param t Temperature in kelvin
|
||||
* @param x vector of species mole fractions.
|
||||
* Length is equal to m_kk
|
||||
*/
|
||||
void setState_TX(doublereal t, doublereal* x);
|
||||
//! Set the internally storred temperature (K) and mole fractions.
|
||||
/*!
|
||||
* @param t Temperature in kelvin
|
||||
* @param x vector of species mole fractions.
|
||||
* Length is equal to m_kk
|
||||
*/
|
||||
void setState_TX(doublereal t, doublereal* x);
|
||||
|
||||
//! Set the internally storred temperature (K) and mass fractions.
|
||||
/*!
|
||||
* @param t Temperature in kelvin
|
||||
* @param y vector of species mass fractions.
|
||||
* Length is equal to m_kk
|
||||
*/
|
||||
void setState_TY(doublereal t, doublereal* y);
|
||||
//! Set the internally storred temperature (K) and mass fractions.
|
||||
/*!
|
||||
* @param t Temperature in kelvin
|
||||
* @param y vector of species mass fractions.
|
||||
* Length is equal to m_kk
|
||||
*/
|
||||
void setState_TY(doublereal t, doublereal* y);
|
||||
|
||||
//! Set the density (kg/m^3) and mole fractions.
|
||||
/*!
|
||||
* @param rho Density (kg/m^3)
|
||||
* @param x vector of species mole fractions.
|
||||
* Length is equal to m_kk
|
||||
*/
|
||||
void setState_RX(doublereal rho, doublereal* x);
|
||||
//! Set the density (kg/m^3) and mole fractions.
|
||||
/*!
|
||||
* @param rho Density (kg/m^3)
|
||||
* @param x vector of species mole fractions.
|
||||
* Length is equal to m_kk
|
||||
*/
|
||||
void setState_RX(doublereal rho, doublereal* x);
|
||||
|
||||
//! Set the density (kg/m^3) and mass fractions.
|
||||
/*!
|
||||
* @param rho Density (kg/m^3)
|
||||
* @param y vector of species mass fractions.
|
||||
* Length is equal to m_kk
|
||||
*/
|
||||
void setState_RY(doublereal rho, doublereal* y);
|
||||
//! Set the density (kg/m^3) and mass fractions.
|
||||
/*!
|
||||
* @param rho Density (kg/m^3)
|
||||
* @param y vector of species mass fractions.
|
||||
* Length is equal to m_kk
|
||||
*/
|
||||
void setState_RY(doublereal rho, doublereal* y);
|
||||
|
||||
/**
|
||||
* Copy the vector of molecular weights into vector weights.
|
||||
*
|
||||
* @param weights Output vector of molecular weights (kg/kmol)
|
||||
*/
|
||||
void getMolecularWeights(vector_fp& weights) const;
|
||||
/**
|
||||
* Copy the vector of molecular weights into vector weights.
|
||||
*
|
||||
* @param weights Output vector of molecular weights (kg/kmol)
|
||||
*/
|
||||
void getMolecularWeights(vector_fp& weights) const;
|
||||
|
||||
/**
|
||||
* Copy the vector of molecular weights into array weights.
|
||||
*
|
||||
* @param iwt Unused.
|
||||
* @param weights Output array of molecular weights (kg/kmol)
|
||||
*
|
||||
* @deprecated
|
||||
*/
|
||||
void getMolecularWeights(int iwt, doublereal* weights) const;
|
||||
/**
|
||||
* Copy the vector of molecular weights into array weights.
|
||||
*
|
||||
* @param iwt Unused.
|
||||
* @param weights Output array of molecular weights (kg/kmol)
|
||||
*
|
||||
* @deprecated
|
||||
*/
|
||||
void getMolecularWeights(int iwt, doublereal* weights) const;
|
||||
|
||||
/**
|
||||
* Copy the vector of molecular weights into array weights.
|
||||
*
|
||||
* @param weights Output array of molecular weights (kg/kmol)
|
||||
*/
|
||||
void getMolecularWeights(doublereal* weights) const;
|
||||
/**
|
||||
* Copy the vector of molecular weights into array weights.
|
||||
*
|
||||
* @param weights Output array of molecular weights (kg/kmol)
|
||||
*/
|
||||
void getMolecularWeights(doublereal* weights) const;
|
||||
|
||||
/**
|
||||
* Return a const reference to the internal vector of
|
||||
* molecular weights.
|
||||
*/
|
||||
const array_fp& molecularWeights() const;
|
||||
/**
|
||||
* Return a const reference to the internal vector of
|
||||
* molecular weights.
|
||||
*/
|
||||
const array_fp& molecularWeights() const;
|
||||
|
||||
/**
|
||||
* Get the mole fractions by name.
|
||||
*
|
||||
* @param x Output composition map containing the
|
||||
* species mole fractions.
|
||||
*/
|
||||
void getMoleFractionsByName(compositionMap& x) const;
|
||||
/**
|
||||
* Get the mole fractions by name.
|
||||
*
|
||||
* @param x Output composition map containing the
|
||||
* species mole fractions.
|
||||
*/
|
||||
void getMoleFractionsByName(compositionMap& x) const;
|
||||
|
||||
//! Return the mole fraction of a single species
|
||||
/*!
|
||||
* @param k String name of the species
|
||||
*
|
||||
* @return Mole fraction of the species
|
||||
*/
|
||||
doublereal moleFraction(int k) const;
|
||||
//! Return the mole fraction of a single species
|
||||
/*!
|
||||
* @param k String name of the species
|
||||
*
|
||||
* @return Mole fraction of the species
|
||||
*/
|
||||
doublereal moleFraction(int k) const;
|
||||
|
||||
//! Return the mole fraction of a single species
|
||||
/*!
|
||||
* @param name String name of the species
|
||||
*
|
||||
* @return Mole fraction of the species
|
||||
*/
|
||||
doublereal moleFraction(std::string name) const;
|
||||
//! Return the mole fraction of a single species
|
||||
/*!
|
||||
* @param name String name of the species
|
||||
*
|
||||
* @return Mole fraction of the species
|
||||
*/
|
||||
doublereal moleFraction(std::string name) const;
|
||||
|
||||
//! Return the mass fraction of a single species
|
||||
/*!
|
||||
* @param k String name of the species
|
||||
*
|
||||
* @return Mass Fraction of the species
|
||||
*/
|
||||
doublereal massFraction(int k) const;
|
||||
//! Return the mass fraction of a single species
|
||||
/*!
|
||||
* @param k String name of the species
|
||||
*
|
||||
* @return Mass Fraction of the species
|
||||
*/
|
||||
doublereal massFraction(int k) const;
|
||||
|
||||
//! Return the mass fraction of a single species
|
||||
/*!
|
||||
* @param name String name of the species
|
||||
*
|
||||
* @return Mass Fraction of the species
|
||||
*/
|
||||
doublereal massFraction(std::string name) const;
|
||||
//! Return the mass fraction of a single species
|
||||
/*!
|
||||
* @param name String name of the species
|
||||
*
|
||||
* @return Mass Fraction of the species
|
||||
*/
|
||||
doublereal massFraction(std::string name) const;
|
||||
|
||||
/**
|
||||
* Charge density [C/m^3].
|
||||
*/
|
||||
doublereal chargeDensity() const;
|
||||
/**
|
||||
* Charge density [C/m^3].
|
||||
*/
|
||||
doublereal chargeDensity() const;
|
||||
|
||||
/// Returns the number of spatial dimensions (1, 2, or 3)
|
||||
int nDim() const {return m_ndim;}
|
||||
/// Returns the number of spatial dimensions (1, 2, or 3)
|
||||
int nDim() const {return m_ndim;}
|
||||
|
||||
//! Set the number of spatial dimensions (1, 2, or 3)
|
||||
/*!
|
||||
* The number of spatial dimensions is used for vector involving
|
||||
* directions.
|
||||
*
|
||||
* @param ndim Input number of dimensions.
|
||||
*/
|
||||
void setNDim(int ndim) {m_ndim = ndim;}
|
||||
//! Set the number of spatial dimensions (1, 2, or 3)
|
||||
/*!
|
||||
* The number of spatial dimensions is used for vector involving
|
||||
* directions.
|
||||
*
|
||||
* @param ndim Input number of dimensions.
|
||||
*/
|
||||
void setNDim(int ndim) {m_ndim = ndim;}
|
||||
|
||||
/**
|
||||
* Finished adding species, prepare to use them for calculation
|
||||
* of mixture properties.
|
||||
*/
|
||||
virtual void freezeSpecies();
|
||||
/**
|
||||
* Finished adding species, prepare to use them for calculation
|
||||
* of mixture properties.
|
||||
*/
|
||||
virtual void freezeSpecies();
|
||||
|
||||
virtual bool ready() const;
|
||||
virtual bool ready() const;
|
||||
|
||||
|
||||
protected:
|
||||
protected:
|
||||
|
||||
/**
|
||||
* m_kk = Number of species in the phase. @internal m_kk is a
|
||||
* member of both the State and Constituents classes.
|
||||
* Therefore, to avoid multiple inheritance problems, we need
|
||||
* to restate it in here, so that the declarations in the two
|
||||
* base classes become hidden.
|
||||
*/
|
||||
int m_kk;
|
||||
/**
|
||||
* m_ndim is the dimensionality of the phase. Volumetric
|
||||
* phases have dimensionality 3 and surface phases have
|
||||
* dimensionality 2.
|
||||
*/
|
||||
int m_ndim;
|
||||
/**
|
||||
* m_index is the index of the phase
|
||||
*
|
||||
*/
|
||||
int m_index;
|
||||
/**
|
||||
* m_kk = Number of species in the phase. @internal m_kk is a
|
||||
* member of both the State and Constituents classes.
|
||||
* Therefore, to avoid multiple inheritance problems, we need
|
||||
* to restate it in here, so that the declarations in the two
|
||||
* base classes become hidden.
|
||||
*/
|
||||
int m_kk;
|
||||
/**
|
||||
* m_ndim is the dimensionality of the phase. Volumetric
|
||||
* phases have dimensionality 3 and surface phases have
|
||||
* dimensionality 2.
|
||||
*/
|
||||
int m_ndim;
|
||||
/**
|
||||
* m_index is the index of the phase
|
||||
*
|
||||
*/
|
||||
int m_index;
|
||||
|
||||
private:
|
||||
private:
|
||||
|
||||
//! This stores the initial state of the system
|
||||
/*!
|
||||
* @deprecated
|
||||
* This doesn't seem to be used much anymore.
|
||||
*/
|
||||
vector_fp m_data;
|
||||
//! This stores the initial state of the system
|
||||
/*!
|
||||
* @deprecated
|
||||
* This doesn't seem to be used much anymore.
|
||||
*/
|
||||
vector_fp m_data;
|
||||
|
||||
//! Pointer to the XML node containing the XML info for this phase
|
||||
XML_Node* m_xml;
|
||||
//! Pointer to the XML node containing the XML info for this phase
|
||||
XML_Node* m_xml;
|
||||
|
||||
//! ID of the phase.
|
||||
/*!
|
||||
* This is the value of the ID attribute of the XML phase node.
|
||||
*/
|
||||
std::string m_id;
|
||||
//! ID of the phase.
|
||||
/*!
|
||||
* This is the value of the ID attribute of the XML phase node.
|
||||
*/
|
||||
std::string m_id;
|
||||
|
||||
//! Name of the phase.
|
||||
/*!
|
||||
* Initially, this is the value of the ID attribute of the XML phase node.
|
||||
*/
|
||||
std::string m_name;
|
||||
};
|
||||
//! Name of the phase.
|
||||
/*!
|
||||
* Initially, this is the value of the ID attribute of the XML phase node.
|
||||
*/
|
||||
std::string m_name;
|
||||
};
|
||||
|
||||
//! typedef for the base Phase class
|
||||
typedef Phase phase_t;
|
||||
|
|
|
|||
Loading…
Add table
Reference in a new issue