pairPotentialList.H

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/*---------------------------------------------------------------------------*\
  =========                 |
  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
   \\    /   O peration     |
    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
     \\/     M anipulation  |
-------------------------------------------------------------------------------
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::pairPotentialList
 
Description
 
SourceFiles
    pairPotentialListI.H
    pairPotentialList.C
 
\*---------------------------------------------------------------------------*/
 
#ifndef pairPotentialList_H
#define pairPotentialList_H
 
#include "PtrList.H"
#include "word.H"
#include "pairPotential.H"
#include "polyMesh.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
 
/*---------------------------------------------------------------------------*\
                      Class pairPotentialList Declaration
\*---------------------------------------------------------------------------*/
 
class pairPotentialList
:
    public PtrList<pairPotential>
{
    // Private data
 
        label nIds_;
 
        scalar rCutMax_;
 
        scalar rCutMaxSqr_;
 
        autoPtr<pairPotential> electrostaticPotential_;
 
 
    // Private Member Functions
 
        inline label pairPotentialIndex
        (
            const label a,
            const label b
        ) const;
 
        void readPairPotentialDict
        (
            const List<word>& idList,
            const dictionary& pairPotentialDict,
            const polyMesh& mesh
        );
 
        //- Disallow default bitwise assignment
        void operator=(const pairPotentialList&);
 
        //- Disallow default bitwise copy construct
        pairPotentialList(const pairPotentialList&);
 
 
public:
 
    // Constructors
 
        pairPotentialList();
 
        //- Construct from idList and potental dictionaries
        pairPotentialList
        (
            const List<word>& idList,
            const dictionary& pairPotentialDict,
            const polyMesh& mesh
        );
 
 
    //- Destructor
    ~pairPotentialList();
 
 
    // Member Functions
 
        void buildPotentials
        (
            const List<word>& idList,
            const dictionary& pairPotentialDict,
            const polyMesh& mesh
        );
 
 
        // Access
 
            inline scalar rCutMax() const;
 
            inline scalar rCutMaxSqr() const;
 
            bool rCutMaxSqr(scalar rIJMagSqr) const;
 
            const pairPotential& pairPotentialFunction
            (
                const label a,
                const label b
            ) const;
 
            // Return true if rIJ is within rCut for this pair.
            bool rCutSqr
            (
                const label a,
                const label b,
                const scalar rIJMagSqr
            ) const;
 
            scalar rMin(const label a, const label b) const;
 
            scalar dr(const label a, const label b) const;
 
            scalar rCutSqr(const label a, const label b) const;
 
            scalar rCut(const label a, const label b) const;
 
            scalar force
            (
                const label a,
                const label b,
                const scalar rIJMag
            ) const;
 
            scalar energy
            (
                const label a,
                const label b,
                const scalar rIJMag
            ) const;
 
            inline const pairPotential& electrostatic() const;
};
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace Foam
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#include "pairPotentialListI.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#endif
 
// ************************************************************************* //