Todo List

Member addBool (Cantera::XML_Node &node, const std::string &titleString, const bool value)

I don't think this is used. Figure out what is used for writing bools, and codify that.

Member addFloat (Cantera::XML_Node &node, const std::string &titleString, const doublereal value, const std::string unitsString="", const std::string typeString="", const doublereal minval=CanteraUndef, const doublereal maxval=CanteraUndef)

I don't think this is used. Figure out what is used for writing floats, and codify that. minval and maxval should be codified. typeString should be codified as to its usage.

Member addFloatArray (Cantera::XML_Node &node, const std::string &titleString, const int n, const doublereal *const values, const std::string unitsString="", const std::string typeString="", const doublereal minval=CanteraUndef, const doublereal maxval=CanteraUndef)

I don't think this is used. Figure out what is used for writing integers, and codify that. unitsString shouldn't be here, since it's an int. typeString should be codified as to its usage.

Member addInteger (Cantera::XML_Node &node, const std::string &titleString, const int value, const std::string unitsString="", const std::string typeString="")

I don't think this is used. Figure out what is used for writing integers, and codify that. unitsString shouldn't be here, since it's an int. typeString should be codified as to its usage.

Member addIntegerArray (Cantera::XML_Node &node, const std::string &titleString, const int n, const int *const values, const std::string unitsString="", const std::string typeString="", const doublereal minval=CanteraUndef, const doublereal maxval=CanteraUndef)

I don't think this is used. Figure out what is used for writing integers, and codify that. unitsString shouldn't be here, since it's an int. typeString should be codified as to its usage.

Member CTML_Version

Codify what the CTML_Version number means.

Member getFwdRateConstants (doublereal *kfwd)

DGG: recommend changing name to getFwdRateCoefficients.

Member getPureGibbs (doublereal *gpure) const

This could be eliminated. It doesn't fit into the current naming convention.

Member getRevRateConstants (doublereal *krev, bool doIrreversible=false)

DGG: recommend changing name to getRevRateCoefficients.

Member incrementRxnCount ()

Should be protected?

Member inquotes (const std::string &aline) const

why is this a class method?

why is this a class method?

Member install (std::string name, int index, int type, const doublereal *c, doublereal minTemp, doublereal maxTemp, doublereal refPressure)

Create a factory method for SpeciesThermoInterpType. That's basically what we are doing here.

Member m_pe

Fix potential energy Note, the potential energy terms seem to be orphaned at the moment. They are not connected to the Gibbs free energy calculation in this object

Class MolalityVPSSTP

Make two solvent minimum fractions. One would be for calculation of the non-ideal factors. The other one would be for purposes of stoichiometry evaluation. the stoichiometry evaluation one would be a 1E-13 limit. Anything less would create problems with roundoff error.

Member newSpeciesThermoOpt (std::vector< XML_Node * > &spDataNodeList) const

is this used?

Class Phase

Make the concept of saving state vectors more general, so that it can handle other cases where there are additional internal state variables, such as the voltage, a potential energy, or a strain field.

Member satPressure (doublereal T) const

This is probably not implemented correctly. The stability of the salt should be added into this calculation. The underlying water model may be called to get the stability of the pure water solution, if needed.

Member satPressure (doublereal T) const

This is probably not implemented correctly. The stability of the salt should be added into this calculation. The underlying water model may be called to get the stability of the pure water solution, if needed.

Member setDensity (const doublereal rho)

Now have a compressible ss equation for liquid water. Therefore, this phase is compressible. May still want to change the independent variable however.

Member setDensity (const doublereal rho)

Now have a compressible ss equation for liquid water. Therefore, this phase is compressible. May still want to change the independent variable however.

Member setPressure (doublereal p)

Implement a variable pressure capability

Member setPressure (doublereal p)

Implement a variable pressure capability

Member setTemperature (const doublereal temp)

Make State::setTemperature a virtual function

Member setTemperature (const doublereal temp)

Make State::setTemperature a virtual function

Member speciesThermo ()

This method will fail if no species thermo manager has been installed.

Member speciesThermo ()

This method will fail if no species thermo manager has been installed.

Member speciesThermo ()

This method will fail if no species thermo manager has been installed.

Member speciesThermo ()

This method will fail if no species thermo manager has been installed.

Class SpeciesThermo1< SPM >

The form of the template class, SPM, is basically unspecified. it needs to be nailed down to a specific form. One way to do this is with a virtual base class formulation. Note, that the specification could be that it inherits from the class SpeciesThermo, itself.

Member strip (const std::string &aline) const

why is this a class method?

Class ThermoIndexData

Is this used?

Member UnknownThermoParam (int thermotype)

Is this used?

Member UnknownVPSSMgr (std::string func, int thermotype)

is this used

Class VPStandardStateTP

Put some teeth into this level by overloading the setDensity() function. It should now throw an exception. Instead, setPressure routines should calculate the solution density and then call State:setDensity() directly.