IdealGas.h

/*-------------------------------------------------------------------
Copyright 2011 Ravishankar Sundararaman

This file is part of JDFTx.

JDFTx is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.

JDFTx is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
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GNU General Public License for more details.

You should have received a copy of the GNU General Public License
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-------------------------------------------------------------------*/

#ifndef JDFTX_FLUID_IDEALGAS_H
#define JDFTX_FLUID_IDEALGAS_H

#include <fluid/Molecule.h>
#include <core/ScalarFieldArray.h>
class FluidMixture;
struct FluidComponent;

class IdealGas
{
public:
        const int nIndep; 
        const Molecule& molecule; 
        const GridInfo& gInfo; 
        const double T; 

        ScalarFieldArray V; 

        IdealGas(int nIndep, const FluidMixture*, const FluidComponent*);
        virtual ~IdealGas() {}

        virtual void initState(const ScalarField* Vex, ScalarField* indep, double scale, double Elo=-DBL_MAX, double Ehi=+DBL_MAX) const=0;

        virtual void getDensities(const ScalarField* indep, ScalarField* N, vector3<>& P0) const=0;

        virtual double compute(const ScalarField* indep, const ScalarField* N, ScalarField* Phi_N, const double Nscale, double& Phi_Nscale) const=0;

        virtual void convertGradients(const ScalarField* indep, const ScalarField* N, const ScalarField* Phi_N, const vector3<>& Phi_P0, ScalarField* Phi_indep, const double Nscale) const=0;

        double get_Nbulk();

        void overrideBulk(double Nbulk, double mu);

protected:
        double Nbulk; 
        double mu; 
        double corrPrefac; 
        friend class FluidMixture; 
};

#endif // JDFTX_FLUID_IDEALGAS_H