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Last change
on this file since 4dca8e was 834ff3, checked in by Frederik Heber <heber@…>, 16 years ago |
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Huge refactoring of Tesselation routines, but not finished yet.
- new file tesselation.cpp with all of classes tesselation, Boundary..Set and CandidatesForTesselationOB
- new file tesselationhelper.cpp with all auxiliary functions.
- boundary.cpp just contains super functions, combininb molecule and Tesselation pointers
- new pointer molecule::TesselStruct
- PointMap, LineMap, TriangleMap DistanceMap have been moved from molecules.hpp to tesselation.hpp
- new abstract class PointCloud and TesselPoint
- atom inherits TesselPoint
- molecule inherits PointCloud (i.e. a set of TesselPoints) and implements all virtual functions for the chained list
- TriangleFilesWritten is thrown out, intermediate steps are written in find_nonconvex_border and not in find_next_triangle()
- LinkedCell class uses TesselPoint as its nodes, i.e. as long as any class inherits TesselPoint, it may make use of LinkedCell as well and a PointCloud is used to initialize
- class atom and bond definitions have been moved to own header files
NOTE: This is not bugfree yet. Tesselation of heptan produces way too many triangles, but runs without faults or leaks.
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Property mode
set to
100644
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File size:
1.4 KB
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| [834ff3] | 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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| [95183e] | 11 | #ifndef LINKEDCELL_HPP_
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| 12 | #define LINKEDCELL_HPP_
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| 13 |
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| [834ff3] | 14 | using namespace std;
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| 15 |
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| [95183e] | 16 | // include config.h
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| 17 | #ifdef HAVE_CONFIG_H
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| 18 | #include <config.h>
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| 19 | #endif
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| 20 |
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| [834ff3] | 21 | #include <list>
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| 22 |
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| 23 | #include "defs.hpp"
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| 24 | #include "helpers.hpp"
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| 25 | #include "vector.hpp"
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| 26 |
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| 27 | class TesselPoint;
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| 28 | class PointCloud;
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| [95183e] | 29 |
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| [834ff3] | 30 | #define LinkedNodes list<TesselPoint *>
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| [e08f45] | 31 |
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| [834ff3] | 32 | /** Linked Cell class for containing Vectors in real space efficiently.
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| 33 | */
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| 34 | class LinkedCell {
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| [a048fa] | 35 | public:
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| 36 | Vector max; // upper boundary
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| 37 | Vector min; // lower boundary
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| [834ff3] | 38 | LinkedNodes *LC; // linked cell list
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| [a048fa] | 39 | double RADIUS; // cell edge length
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| 40 | int N[NDIM]; // number of cells per axis
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| 41 | int n[NDIM]; // temporary variable for current cell per axis
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| 42 | int index; // temporary index variable , access by index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2];
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| [e08f45] | 43 |
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| [a048fa] | 44 | LinkedCell();
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| [834ff3] | 45 | LinkedCell(PointCloud *set, double RADIUS);
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| [a048fa] | 46 | ~LinkedCell();
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| [834ff3] | 47 | LinkedNodes* GetCurrentCell();
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| 48 | bool SetIndexToNode(TesselPoint *Walker);
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| [a048fa] | 49 | bool SetIndexToVector(Vector *x);
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| 50 | bool CheckBounds();
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| [e08f45] | 51 |
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| [a048fa] | 52 | // not implemented yet
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| [834ff3] | 53 | bool AddNode(Vector *Walker);
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| 54 | bool DeleteNode(Vector *Walker);
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| 55 | bool MoveNode(Vector *Walker);
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| [95183e] | 56 | };
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| 57 |
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| 58 | #endif /*LINKEDCELL_HPP_*/
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