potential.H

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/*---------------------------------------------------------------------------*\
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-------------------------------------------------------------------------------
    Copyright (C) 2011 OpenFOAM Foundation
-------------------------------------------------------------------------------
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::potential
 
Description
 
SourceFiles
    potentialI.H
    potential.C
 
\*---------------------------------------------------------------------------*/
 
#ifndef potential_H
#define potential_H
 
#include "polyMesh.H"
#include "IOdictionary.H"
#include "Time.H"
#include "pairPotentialList.H"
#include "electrostaticPotential.H"
#include "tetherPotentialList.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
 
/*---------------------------------------------------------------------------*\
                         Class potential Declaration
\*---------------------------------------------------------------------------*/
 
class potential
{
    // Private data
 
        const polyMesh& mesh_;
 
        List<word> idList_;
 
        List<word> siteIdList_;
 
        label nPairPotIds_;
 
        scalar potentialEnergyLimit_;
 
        labelList removalOrder_;
 
        pairPotentialList pairPotentials_;
 
        tetherPotentialList tetherPotentials_;
 
        vector gravity_;
 
 
    // Private Member Functions
 
        void setSiteIdList(const dictionary& moleculePropertiesDict);
 
        void readPotentialDict();
 
        void readMdInitialiseDict
        (
            const IOdictionary& mdInitialiseDict,
            IOdictionary& idListDict
        );
 
        //- No copy construct
        potential(const potential&) = delete;
 
        //- No copy assignment
        void operator=(const potential&) = delete;
 
 
public:
 
    // Constructors
 
        //- Construct from mesh reference
        potential(const polyMesh& mesh);
 
        //- Construct from mdInitialiseDict
        potential
        (
            const polyMesh& mesh,
            const IOdictionary& mdInitialiseDict,
            IOdictionary& idListDict
        );
 
 
    //- Destructor
    ~potential();
 
 
    // Member Functions
 
        // Access
 
            inline label nIds() const;
 
            inline const List<word>& idList() const;
 
            inline const List<word>& siteIdList() const;
 
            inline scalar potentialEnergyLimit() const;
 
            inline label nPairPotentials() const;
 
            inline const labelList& removalOrder() const;
 
            inline const pairPotentialList& pairPotentials() const;
 
            inline const tetherPotentialList& tetherPotentials() const;
 
            inline const vector& gravity() const;
};
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace Foam
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#include "potentialI.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#endif
 
// ************************************************************************* //