pairPotential.H

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/*---------------------------------------------------------------------------*\
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    Copyright (C) 2011-2016 OpenFOAM Foundation
    Copyright (C) 2019 OpenCFD Ltd.
-------------------------------------------------------------------------------
License
    This file is part of OpenFOAM.
 
    OpenFOAM 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.
 
    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
    for more details.
 
    You should have received a copy of the GNU General Public License
    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
 
Class
    Foam::pairPotential
 
Description
 
SourceFiles
    pairPotential.C
    pairPotentialNew.C
 
\*---------------------------------------------------------------------------*/
 
#ifndef pairPotential_H
#define pairPotential_H
 
#include "IOdictionary.H"
#include "typeInfo.H"
#include "runTimeSelectionTables.H"
#include "autoPtr.H"
#include "List.H"
#include "Pair.H"
#include "Switch.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
 
// Forward declaration of classes
class energyScalingFunction;
 
/*---------------------------------------------------------------------------*\
                        Class pairPotential Declaration
\*---------------------------------------------------------------------------*/
 
class pairPotential
{
 
protected:
 
    // Protected member data
 
        word name_;
        dictionary pairPotentialProperties_;
 
        scalar rCut_;
        scalar rCutSqr_;
 
        scalar rMin_;
        scalar dr_;
 
        List<scalar> forceLookup_;
        List<scalar> energyLookup_;
 
        mutable energyScalingFunction* esfPtr_;
 
        bool writeTables_;
 
 
    // Protected member functions
 
        void scaleEnergy(scalar& e, const scalar r) const;
 
        //- No copy construct
        pairPotential(const pairPotential&) = delete;
 
        //- No copy assignment
        void operator=(const pairPotential&) = delete;
 
 
public:
 
    //- Runtime type information
    TypeName("pairPotential");
 
 
    // Declare run-time constructor selection table
 
        declareRunTimeSelectionTable
        (
            autoPtr,
            pairPotential,
            dictionary,
            (
                const word& name,
                const dictionary& pairPotentialProperties
            ),
            (name, pairPotentialProperties)
        );
 
 
    // Selectors
 
        //- Return a reference to the selected viscosity model
        static autoPtr<pairPotential> New
        (
            const word& name,
            const dictionary& pairPotentialProperties
        );
 
 
    // Constructors
 
        //- Construct from components
        pairPotential
        (
            const word& name,
            const dictionary& pairPotentialProperties
        );
 
 
    //- Destructor
    virtual ~pairPotential() = default;
 
 
    // Member Functions
 
        void setLookupTables();
 
        inline scalar rMin() const;
 
        inline scalar dr() const;
 
        inline scalar rCut() const;
 
        inline scalar rCutSqr() const;
 
        scalar energy (const scalar r) const;
 
        scalar force (const scalar r) const;
 
        List<Pair<scalar>> energyTable() const;
 
        List<Pair<scalar>> forceTable() const;
 
        inline bool writeTables() const;
 
        virtual scalar unscaledEnergy(const scalar r) const = 0;
 
        scalar scaledEnergy(const scalar r) const;
 
        scalar energyDerivative
        (
            const scalar r,
            const bool scaledEnergyDerivative = true
        ) const;
 
        const dictionary& pairPotentialProperties() const
        {
            return pairPotentialProperties_;
        }
 
        bool writeEnergyAndForceTables(Ostream& os) const;
 
        //- Read pairPotential dictionary
        virtual bool read(const dictionary& pairPotentialProperties) = 0;
};
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace Foam
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#include "pairPotentialI.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#endif
 
// ************************************************************************* //