| 1 | /*
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| 2 | * linkedcell.hpp
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| 3 | *
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| 4 | * If the linked cell should be usable, the class has to inherit LCNodeSet and the nodes (containing the Vectors) have to inherit LCNode. This works well
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| 5 | * for molecule and atom classes.
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| 6 | *
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| 7 | * Created on: Aug 3, 2009
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| 8 | * Author: heber
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| 9 | */
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| 10 |
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| 11 | #ifndef LINKEDCELL_HPP_
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| 12 | #define LINKEDCELL_HPP_
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| 13 |
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| 14 | using namespace std;
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| 15 |
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| 16 | /*********************************************** includes ***********************************/
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| 17 |
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| 18 | // include config.h
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| 19 | #ifdef HAVE_CONFIG_H
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| 20 | #include <config.h>
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| 21 | #endif
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| 22 |
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| 23 | #include <list>
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| 24 |
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| 25 | #include "defs.hpp"
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| 26 | #include "vector.hpp"
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| 27 |
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| 28 | /****************************************** forward declarations *****************************/
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| 29 |
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| 30 | class PointCloud;
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| 31 | class TesselPoint;
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| 32 |
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| 33 | /********************************************** definitions *********************************/
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| 34 |
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| 35 | #define LinkedNodes list<TesselPoint *>
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| 36 |
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| 37 | /********************************************** declarations *******************************/
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| 38 |
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| 39 | /** Linked Cell class for containing Vectors in real space efficiently.
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| 40 | */
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| 41 | class LinkedCell {
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| 42 | public:
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| 43 | Vector max; // upper boundary
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| 44 | Vector min; // lower boundary
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| 45 | LinkedNodes *LC; // linked cell list
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| 46 | double RADIUS; // cell edge length
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| 47 | int N[NDIM]; // number of cells per axis
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| 48 | int n[NDIM]; // temporary variable for current cell per axis
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| 49 | int index; // temporary index variable , access by index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2];
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| 50 |
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| 51 | LinkedCell();
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| 52 | LinkedCell(PointCloud *set, double RADIUS);
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| 53 | LinkedCell(LinkedNodes *set, double radius);
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| 54 | ~LinkedCell();
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| 55 | LinkedNodes* GetCurrentCell();
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| 56 | bool SetIndexToNode(const TesselPoint *Walker);
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| 57 | bool SetIndexToVector(const Vector *x);
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| 58 | bool CheckBounds();
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| 59 | void GetNeighbourBounds(int lower[NDIM], int upper[NDIM]);
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| 60 |
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| 61 | // not implemented yet
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| 62 | bool AddNode(Vector *Walker);
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| 63 | bool DeleteNode(Vector *Walker);
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| 64 | bool MoveNode(Vector *Walker);
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| 65 | };
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| 66 |
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| 67 | #endif /*LINKEDCELL_HPP_*/
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