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Doxygen update - filling in the missing entries.

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This commit is contained in:
Harry Moffat 2010-08-06 20:33:20 +00:00
parent b216c194aa
commit 1f5ade8488
3 changed files with 69 additions and 34 deletions
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7
Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp
View file

@ -351,12 +351,11 @@ namespace Cantera {
getActivities(c);
}
void IonsFromNeutralVPSSTP::getDissociationCoeffs(vector_fp& coeffs,vector_fp& charges, std::vector<int>& neutMolIndex){
void IonsFromNeutralVPSSTP::getDissociationCoeffs(vector_fp& coeffs,
vector_fp& charges, std::vector<int>& neutMolIndex) const {
coeffs = fm_neutralMolec_ions_;
charges = m_speciesCharge;
neutMolIndex = fm_invert_ionForNeutral;
//for ( int k = 0; k < fm_neutralMolec_ions_[k]; k++ )
// coeffs.push_back(fm_neutralMolec_ions_[k]);
}
// Return the standard concentration for the kth species
@ -884,7 +883,7 @@ namespace Cantera {
* is followed, while the difference in charge neutrality
* is dumped into the anion mole number to fix the imbalance.
*/
void IonsFromNeutralVPSSTP::getNeutralMoleculeMoleGrads(const doublereal * const dx, doublereal *dy) const {
void IonsFromNeutralVPSSTP::getNeutralMoleculeMoleGrads(const doublereal * const dx, doublereal * const dy) const {
int k, icat, jNeut;
doublereal sumCat;
doublereal sumAnion;

94
Cantera/src/thermo/IonsFromNeutralVPSSTP.h
View file

@ -454,9 +454,23 @@ namespace Cantera {
//! Get the Salt Dissociation Coefficients
//! Returns the vector of dissociation coefficients and vector of charges
virtual void getDissociationCoeffs(vector_fp& coeffs, vector_fp& charges, std::vector<int>& neutMolIndex);
/*!
* @param fm_neutralMolec_ions Returns the formula matrix for the composition of neutral molecules
* in terms of the ions.
* @param charges Returns a vector containing the charges of all species in this phase
* @param neutMolIndex Returns the vector fm_invert_ionForNeutral
* This is the mapping between ion species and neutral molecule for quick invert.
*/
void getDissociationCoeffs(vector_fp& fm_neutralMolec_ions, vector_fp& charges, std::vector<int>& neutMolIndex) const;
virtual void getNeutralMolecMoleFractions(vector_fp& fracs){fracs=NeutralMolecMoleFractions_;}
//! Return the current value of the neutral mole fraction vector
/*!
* @param neutralMoleculeMoleFractions Vector of neutral molecule mole fractions.
*/
void getNeutralMolecMoleFractions(vector_fp& neutralMoleculeMoleFractions) const {
neutralMoleculeMoleFractions = NeutralMolecMoleFractions_;
}
//! Calculate neutral molecule mole fractions
/*!
@ -471,14 +485,29 @@ namespace Cantera {
* in the charge neutrality is allowed. The cation number
* is followed, while the difference in charge neutrality
* is dumped into the anion mole number to fix the imbalance.
*
* @param dx input vector of ion mole fraction gradients
* @param dy output Vector of neutral molecule mole fraction gradients
*/
virtual void getNeutralMoleculeMoleGrads(const doublereal * const x, doublereal *y) const;
void getNeutralMoleculeMoleGrads(const doublereal * const dx, doublereal *const dy) const;
virtual void getCationList(std::vector<int>& cation){cation=cationList_;}
virtual void getAnionList(std::vector<int>& anion){anion=anionList_;}
virtual void getSpeciesNames(std::vector<std::string>& names){names=m_speciesNames;}
//! Get the list of cations in this object
/*!
* @param cation List of cations
*/
void getCationList(std::vector<int>& cation) const {
cation=cationList_;
}
//! Get the list of anions in this object
/*!
* @param anion List of anions
*/
void getAnionList(std::vector<int>& anion) const {
anion=anionList_;
}
//@}
/// @name Properties of the Standard State of the Species in the Solution
//@{
@ -876,18 +905,6 @@ namespace Cantera {
* as a shallow pointer.
*/
bool IOwnNThermoPhase_;
//! ThermoPhase for the cation lattice
/*!
* Currently this is unimplemented and may be deleted
*/
// ThermoPhase *cationPhase_;
//! ThermoPhase for the anion lattice
/*!
* Currently this is unimplemented and may be deleted
*/
//ThermoPhase *anionPhase_;
//! Temporary mole fraction vector
mutable std::vector<doublereal> moleFractionsTmp_;
@ -902,16 +919,6 @@ namespace Cantera {
*/
mutable std::vector<doublereal> muNeutralMolecule_;
//! Storage vector for the neutral molecule activity coefficients
/*!
* This vector is used as a temporary storage area when calculating the ion chemical
* potentials and activity coefficients
*
* Units = none
* Length = numNeutralMoleculeSpecies_
*/
// mutable std::vector<doublereal> gammaNeutralMolecule_;
//! Storage vector for the neutral molecule ln activity coefficients
/*!
* This vector is used as a temporary storage area when calculating the ion chemical
@ -922,10 +929,41 @@ namespace Cantera {
*/
mutable std::vector<doublereal> lnActCoeff_NeutralMolecule_;
//! Storage vector for the neutral molecule d ln activity coefficients dT
/*!
* This vector is used as a temporary storage area when calculating the ion derivatives
*
* Units = 1/Kelvin
* Length = numNeutralMoleculeSpecies_
*/
mutable std::vector<doublereal> dlnActCoeffdT_NeutralMolecule_;
//! Storage vector for the neutral molecule d ln activity coefficients dX - diagonal component
/*!
* This vector is used as a temporary storage area when calculating the ion derivatives
*
* Units = none
* Length = numNeutralMoleculeSpecies_
*/
mutable std::vector<doublereal> dlnActCoeffdlnX_diag_NeutralMolecule_;
//! Storage vector for the neutral molecule d ln activity coefficients dlnN - diagonal component
/*!
* This vector is used as a temporary storage area when calculating the ion derivatives
*
* Units = none
* Length = numNeutralMoleculeSpecies_
*/
mutable std::vector<doublereal> dlnActCoeffdlnN_diag_NeutralMolecule_;
//! Storage vector for the neutral molecule d ln activity coefficients dlnN
/*!
* This vector is used as a temporary storage area when calculating the ion derivatives
*
* Units = none
* Length = numNeutralMoleculeSpecies_
*/
mutable Array2D dlnActCoeffdlnN_NeutralMolecule_;
};

2
Cantera/src/transport/LiquidTranInteraction.cpp
View file

@ -680,8 +680,6 @@ namespace Cantera {
vector<int> anion;
ions_thermo->getCationList(cation);
ions_thermo->getAnionList(anion);
vector<std::string> speciesNames;
ions_thermo->getSpeciesNames(speciesNames);
// Reaction Coeffs and Charges
std::vector<double> viS(6);