vcs_SpeciesProperties.h

Go to the documentation of this file.

//! @file vcs_SpeciesProperties.h
#ifndef VCS_SPECIES_PROPERTIES_H
#define VCS_SPECIES_PROPERTIES_H

#include <vector>
#include <string>

namespace Cantera
{

class VCS_SPECIES_THERMO;
class vcs_VolPhase;

//! Properties of a single species.
class vcs_SpeciesProperties
{
public:
    size_t    IndexPhase;
    size_t    IndexSpeciesPhase;
    vcs_VolPhase* OwningPhase;
    size_t    NumElements;

    //! Name of the species
    std::string SpName;

    VCS_SPECIES_THERMO* SpeciesThermo; /* Pointer to the thermo
                                          structure for this species  */
    double WtSpecies;       /* Molecular Weight of the species (gm/mol) */

    //! Column of the formula matrix, comprising the
    //! element composition of the species */
    std::vector<double> FormulaMatrixCol;

    double Charge;         /* Charge state of the species -> This may
                be duplication of what's in the
                FormulaMatrixCol entries. However, it's prudent
                to separate it out. */
    int  SurfaceSpecies;   /* True if this species belongs to a surface phase */
    /*
     *     Various Calculated Quantities that are appropriate to
     *     keep copies of at this level.
     */
    double VolPM;          /* Partial molar volume of the species */
    double ReferenceMoleFraction; /* Representative value of the mole
                                     fraction of this species in a phase.
                                     This value is used for convergence issues
                                     and for calculation of numerical derivs */

    vcs_SpeciesProperties(size_t indexPhase, size_t indexSpeciesPhase,
                          vcs_VolPhase* owning);
    virtual ~vcs_SpeciesProperties() {}

    vcs_SpeciesProperties(const vcs_SpeciesProperties& b);
    vcs_SpeciesProperties& operator=(const vcs_SpeciesProperties& b);
};

}

#endif