Changeset a048fa for molecuilder/src/linkedcell.hpp
- Timestamp:
- Jul 23, 2009, 2:21:57 PM (16 years ago)
- Children:
- c3a303
- Parents:
- c95b69
- File:
-
- 1 edited
-
molecuilder/src/linkedcell.hpp (modified) (1 diff)
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molecuilder/src/linkedcell.hpp
rc95b69 ra048fa 12 12 13 13 class LinkedCell{ 14 public:15 Vector max;// upper boundary16 Vector min;// lower boundary17 LinkedAtoms *LC;// linked cell list18 double RADIUS;// cell edge length19 int N[NDIM];// number of cells per axis20 int n[NDIM];// temporary variable for current cell per axis21 int index;// temporary index variable , access by index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2];14 public: 15 Vector max; // upper boundary 16 Vector min; // lower boundary 17 LinkedAtoms *LC; // linked cell list 18 double RADIUS; // cell edge length 19 int N[NDIM]; // number of cells per axis 20 int n[NDIM]; // temporary variable for current cell per axis 21 int index; // temporary index variable , access by index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2]; 22 22 23 LinkedCell();24 LinkedCell(molecule *mol, double RADIUS);25 ~LinkedCell();26 LinkedAtoms* GetCurrentCell();27 bool SetIndexToAtom(atom *Walker);28 bool SetIndexToVector(Vector *x);29 bool CheckBounds();23 LinkedCell(); 24 LinkedCell(molecule *mol, double RADIUS); 25 ~LinkedCell(); 26 LinkedAtoms* GetCurrentCell(); 27 bool SetIndexToAtom(atom *Walker); 28 bool SetIndexToVector(Vector *x); 29 bool CheckBounds(); 30 30 31 // not implemented yet32 bool AddAtom(atom *Walker);33 bool DeleteAtom(atom *Walker);34 bool MoveAtom(atom *Walker);31 // not implemented yet 32 bool AddAtom(atom *Walker); 33 bool DeleteAtom(atom *Walker); 34 bool MoveAtom(atom *Walker); 35 35 }; 36 36
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