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doxygen updates for LatticePhase

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This commit is contained in:
Harry Moffat 2010-07-18 20:36:47 +00:00
parent a0263339d9
commit 60678fc856
2 changed files with 93 additions and 62 deletions
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67
Cantera/src/thermo/LatticePhase.cpp
View file

@ -289,7 +289,48 @@ namespace Cantera {
vbar[k] = vv;
}
}
//=======================================================================================================
// Returns the vector of nondimensional Enthalpies of the reference state at the current temperature
// of the solution and the reference pressure for the phase.
/*
* @return Output vector of nondimensional reference state Enthalpies of the species.
* Length: m_kk
*/
const array_fp& LatticePhase::enthalpy_RT_ref() const {
_updateThermo();
return m_h0_RT;
}
//=======================================================================================================
// Returns a reference to the dimensionless reference state Gibbs free energy vector.
/*
* This function is part of the layer that checks/recalculates the reference
* state thermo functions.
*/
const array_fp& LatticePhase::gibbs_RT_ref() const {
_updateThermo();
return m_g0_RT;
}
//=======================================================================================================
// Returns a reference to the dimensionless reference state Entropy vector.
/*
* This function is part of the layer that checks/recalculates the reference
* state thermo functions.
*/
const array_fp& LatticePhase::entropy_R_ref() const {
_updateThermo();
return m_s0_R;
}
//=======================================================================================================
// Returns a reference to the dimensionless reference state Heat Capacity vector.
/*
* This function is part of the layer that checks/recalculates the reference
* state thermo functions.
*/
const array_fp& LatticePhase::cp_R_ref() const {
_updateThermo();
return m_cp0_R;
}
//=======================================================================================================
void LatticePhase::initThermo() {
m_kk = nSpecies();
m_mm = nElements();
@ -306,8 +347,12 @@ namespace Cantera {
m_s0_R.resize(leng);
setMolarDensity(m_molar_density);
}
//=====================================================================================================
// Update the species reference state thermodynamic functions
/*
* The polynomials for the standard state functions are only
* reevalulated if the temperature has changed.
*/
void LatticePhase::_updateThermo() const {
doublereal tnow = temperature();
if (fabs(molarDensity() - m_molar_density)/m_molar_density > 0.0001) {
@ -315,33 +360,33 @@ namespace Cantera {
+fp2str(m_molar_density)+" to "+fp2str(molarDensity()));
}
if (m_tlast != tnow) {
m_spthermo->update(tnow, &m_cp0_R[0], &m_h0_RT[0],
&m_s0_R[0]);
m_spthermo->update(tnow, &m_cp0_R[0], &m_h0_RT[0], &m_s0_R[0]);
m_tlast = tnow;
int k;
for (k = 0; k < m_kk; k++) {
for (int k = 0; k < m_kk; k++) {
m_g0_RT[k] = m_h0_RT[k] - m_s0_R[k];
}
m_tlast = tnow;
}
}
//=====================================================================================================
void LatticePhase::setParameters(int n, doublereal* const c) {
m_molar_density = c[0];
setMolarDensity(m_molar_density);
}
//=====================================================================================================
void LatticePhase::getParameters(int &n, doublereal * const c) const {
double d = molarDensity();
c[0] = d;
n = 1;
}
//=====================================================================================================
void LatticePhase::setParametersFromXML(const XML_Node& eosdata) {
eosdata._require("model", "Lattice");
m_molar_density = getFloat(eosdata, "site_density", "toSI");
m_vacancy = getChildValue(eosdata, "vacancy_species");
}
//=====================================================================================================
}
//=======================================================================================================
#endif

88
Cantera/src/thermo/LatticePhase.h
View file

@ -1,7 +1,6 @@
/**
* @file LatticePhase.h
* Header for a simple thermodynamics model of a bulk phase
* derived from ThermoPhase,
* Header for a simple thermodynamics model of a bulk phase derived from ThermoPhase,
* assuming a lattice of solid atoms
* (see \ref thermoprops and class \link Cantera::LatticePhase LatticePhase\endlink).
*
@ -255,7 +254,7 @@ namespace Cantera {
* @ingroup thermoprops
*
*/
class LatticePhase : public ThermoPhase {
class LatticePhase : public ThermoPhase {
public:
@ -301,34 +300,33 @@ namespace Cantera {
*/
ThermoPhase *duplMyselfAsThermoPhase() const;
/*
* @param infile XML file containing the description of the
* phase
*
* @param id Optional parameter identifying the name of the
* phase. If none is given, the first XML
* phase element will be used.
*/
//! Import and initialize a %LatticePhase phase specification from an XML tree into the current object.
/*!
* @param phaseNode XML file containing the description of the phase
*
* @param idTarget Optional parameter identifying the name of the
* phase. If none is given, the first XML phase element is used.
*/
void constructPhaseXML(XML_Node& phaseNode, std::string idTarget);
/*
* constructPhaseFile
*
*
* This routine is a precursor to constructPhaseXML(XML_Node*)
* routine, which does most of the work.
*
* @param inputFile XML file containing the description of the
* phase
*
* @param id Optional parameter identifying the name of the
* phase. If none is given, the first XML
* phase element will be used.
*/
//! Initialization of a %LatticePhase phase using an xml file
/*!
*
* This routine is a precursor to constructPhaseXML(XML_Node*)
* routine, which does most of the work.
*
* @param inputFile XML file containing the description of the phase
*
* @param id Optional parameter identifying the name of the
* phase. If none is given, the first XML
* phase element will be used.
*/
void constructPhaseFile(std::string inputFile, std::string id);
//! Equation of state flag. Returns the value cLattice
virtual int eosType() const { return cLattice; }
virtual int eosType() const {
return cLattice;
}
/**
* @name Molar Thermodynamic Properties of the Solution ------------------------
@ -695,40 +693,28 @@ namespace Cantera {
* Enthalpies of the species.
* Length: m_kk
*/
const array_fp& enthalpy_RT_ref() const {
_updateThermo();
return m_h0_RT;
}
const array_fp& enthalpy_RT_ref() const;
//! Returns a reference to the dimensionless reference state Gibbs free energy vector.
/*!
* This function is part of the layer that checks/recalculates the reference
* state thermo functions.
*/
const array_fp& gibbs_RT_ref() const {
_updateThermo();
return m_g0_RT;
}
const array_fp& gibbs_RT_ref() const;
//! Returns a reference to the dimensionless reference state Entropy vector.
/*!
* This function is part of the layer that checks/recalculates the reference
* state thermo functions.
*/
const array_fp& entropy_R_ref() const {
_updateThermo();
return m_s0_R;
}
const array_fp& entropy_R_ref() const;
//! Returns a reference to the dimensionless reference state Heat Capacity vector.
/*!
* This function is part of the layer that checks/recalculates the reference
* state thermo functions.
*/
const array_fp& cp_R_ref() const {
_updateThermo();
return m_cp0_R;
}
const array_fp& cp_R_ref() const;
//@}
/// @name Utilities for Initialization of the Object
@ -827,29 +813,29 @@ namespace Cantera {
doublereal m_p0;
//! Current value of the temperature (Kelvin)
mutable doublereal m_tlast;
mutable doublereal m_tlast;
//! Reference state enthalpies / RT
mutable array_fp m_h0_RT;
mutable array_fp m_h0_RT;
//! Temporary storage for the reference state heat capacities
mutable array_fp m_cp0_R;
mutable array_fp m_cp0_R;
//! Temporary storage for the reference state gibbs energies
mutable array_fp m_g0_RT;
mutable array_fp m_g0_RT;
//! Temporary storage for the reference state entropies
mutable array_fp m_s0_R;
//! Temporary storage for the reference state entropies at the current temperature
mutable array_fp m_s0_R;
//! Current value of the pressure (Pa)
doublereal m_press;
doublereal m_press;
//! String name for the species which represents a vacency
//! in the lattice
/*!
* This string is currently unused
*/
std::string m_vacancy;
std::string m_vacancy;
//! Molar density of the lattice solid
/*!
@ -857,7 +843,7 @@ namespace Cantera {
*
* units are kmol m-3
*/
doublereal m_molar_density;
doublereal m_molar_density;
private: