1 /*---------------------------------------------------------------------------*\
3 \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
5 \\ / A nd | Copyright (C) 2008-2009 OpenCFD Ltd.
7 -------------------------------------------------------------------------------
9 This file is part of OpenFOAM.
11 OpenFOAM is free software; you can redistribute it and/or modify it
12 under the terms of the GNU General Public License as published by the
13 Free Software Foundation; either version 2 of the License, or (at your
14 option) any later version.
16 OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
17 ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
18 FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
21 You should have received a copy of the GNU General Public License
22 along with OpenFOAM; if not, write to the Free Software Foundation,
23 Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
34 \*---------------------------------------------------------------------------*/
40 #include "IOdictionary.H"
42 #include "pairPotentialList.H"
43 #include "electrostaticPotential.H"
44 #include "tetherPotentialList.H"
46 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
51 /*---------------------------------------------------------------------------*\
52 Class potential Declaration
53 \*---------------------------------------------------------------------------*/
59 const polyMesh& mesh_;
63 List<word> siteIdList_;
67 scalar potentialEnergyLimit_;
69 labelList removalOrder_;
71 pairPotentialList pairPotentials_;
73 tetherPotentialList tetherPotentials_;
78 // Private Member Functions
80 void setSiteIdList(const IOdictionary& moleculePropertiesDict);
82 void readPotentialDict();
84 void readMdInitialiseDict
86 const IOdictionary& mdInitialiseDict,
87 IOdictionary& idListDict
90 //- Disallow default bitwise copy construct
91 potential(const potential&);
93 //- Disallow default bitwise assignment
94 void operator=(const potential&);
101 //- Construct from mesh reference
102 potential(const polyMesh& mesh);
104 //- Construct from mdInitialiseDict
107 const polyMesh& mesh,
108 const IOdictionary& mdInitialiseDict,
109 IOdictionary& idListDict
122 inline label nIds() const;
124 inline const List<word>& idList() const;
126 inline const List<word>& siteIdList() const;
128 inline scalar potentialEnergyLimit() const;
130 inline label nPairPotentials() const;
132 inline const labelList& removalOrder() const;
134 inline const pairPotentialList& pairPotentials() const;
136 inline const tetherPotentialList& tetherPotentials() const;
138 inline const vector& gravity() const;
142 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
144 } // End namespace Foam
146 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
148 #include "potentialI.H"
150 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
154 // ************************************************************************* //