FreeFOAM The Cross-Platform CFD Toolkit
potential.H
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1 /*---------------------------------------------------------------------------*\
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3  \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
4  \\ / O peration |
5  \\ / A nd | Copyright (C) 2008-2010 OpenCFD Ltd.
6  \\/ M anipulation |
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10 
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22  along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
23 
24 Class
25  Foam::potential
26 
27 Description
28 
29 SourceFiles
30  potentialI.H
31  potential.C
32 
33 \*---------------------------------------------------------------------------*/
34 
35 #ifndef potential_H
36 #define potential_H
37 
38 #include <OpenFOAM/polyMesh.H>
39 #include <OpenFOAM/IOdictionary.H>
40 #include <OpenFOAM/Time.H>
44 
45 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
46 
47 namespace Foam
48 {
49 
50 /*---------------------------------------------------------------------------*\
51  Class potential Declaration
52 \*---------------------------------------------------------------------------*/
53 
54 class potential
55 {
56  // Private data
57 
58  const polyMesh& mesh_;
59 
60  List<word> idList_;
61 
62  List<word> siteIdList_;
63 
64  label nPairPotIds_;
65 
66  scalar potentialEnergyLimit_;
67 
68  labelList removalOrder_;
69 
70  pairPotentialList pairPotentials_;
71 
72  tetherPotentialList tetherPotentials_;
73 
74  vector gravity_;
75 
76 
77  // Private Member Functions
78 
79  void setSiteIdList(const IOdictionary& moleculePropertiesDict);
80 
81  void readPotentialDict();
82 
83  void readMdInitialiseDict
84  (
85  const IOdictionary& mdInitialiseDict,
86  IOdictionary& idListDict
87  );
88 
89  //- Disallow default bitwise copy construct
90  potential(const potential&);
91 
92  //- Disallow default bitwise assignment
93  void operator=(const potential&);
94 
95 
96 public:
97 
98  // Constructors
99 
100  //- Construct from mesh reference
101  potential(const polyMesh& mesh);
102 
103  //- Construct from mdInitialiseDict
104  potential
105  (
106  const polyMesh& mesh,
107  const IOdictionary& mdInitialiseDict,
108  IOdictionary& idListDict
109  );
110 
111 
112  // Destructor
113 
114  ~potential();
115 
116 
117  // Member Functions
118 
119  // Access
120 
121  inline label nIds() const;
122 
123  inline const List<word>& idList() const;
124 
125  inline const List<word>& siteIdList() const;
126 
127  inline scalar potentialEnergyLimit() const;
128 
129  inline label nPairPotentials() const;
130 
131  inline const labelList& removalOrder() const;
132 
133  inline const pairPotentialList& pairPotentials() const;
134 
135  inline const tetherPotentialList& tetherPotentials() const;
136 
137  inline const vector& gravity() const;
138 };
139 
140 
141 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
142 
143 } // End namespace Foam
144 
145 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
146 
147 #include "potentialI.H"
148 
149 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
150 
151 #endif
152 
153 // ************************ vim: set sw=4 sts=4 et: ************************ //