| 1 | /*
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| 2 |  * tesselation.hpp
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| 3 |  *
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| 4 |  *  The tesselation class is meant to contain the envelope (concave, convex or neither) of a set of Vectors. As we actually mean this stuff for atoms, we have to encapsulate it all a bit.
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| 5 |  *
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| 6 |  *  Created on: Aug 3, 2009
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| 7 |  *      Author: heber
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| 8 |  */
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| 9 | 
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| 10 | #ifndef TESSELATION_HPP_
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| 11 | #define TESSELATION_HPP_
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| 12 | 
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| 13 | using namespace std;
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| 14 | 
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| 15 | /*********************************************** includes ***********************************/
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| 16 | 
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| 17 | // include config.h
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| 18 | #ifdef HAVE_CONFIG_H
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| 19 | #include <config.h>
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| 20 | #endif
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| 21 | 
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| 22 | #include <map>
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| 23 | #include <list>
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| 24 | #include <set>
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| 25 | #include <stack>
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| 26 | 
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| 27 | #include "atom_particleinfo.hpp"
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| 28 | #include "helpers.hpp"
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| 29 | #include "vector.hpp"
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| 30 | 
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| 31 | /****************************************** forward declarations *****************************/
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| 32 | 
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| 33 | class BoundaryPointSet;
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| 34 | class BoundaryLineSet;
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| 35 | class BoundaryTriangleSet;
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| 36 | class LinkedCell;
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| 37 | class TesselPoint;
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| 38 | class PointCloud;
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| 39 | class Tesselation;
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| 40 | 
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| 41 | /********************************************** definitions *********************************/
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| 42 | 
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| 43 | #define DoTecplotOutput 1
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| 44 | #define DoRaster3DOutput 1
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| 45 | #define DoVRMLOutput 0
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| 46 | #define TecplotSuffix ".dat"
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| 47 | #define Raster3DSuffix ".r3d"
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| 48 | #define VRMLSUffix ".wrl"
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| 49 | 
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| 50 | #define ParallelEpsilon 1e-3
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| 51 | 
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| 52 | // ======================================================= some template functions =========================================
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| 53 | 
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| 54 | #define IndexToIndex map <int, int>
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| 55 | 
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| 56 | #define PointMap map < int, class BoundaryPointSet * >
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| 57 | #define PointSet set < class BoundaryPointSet * >
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| 58 | #define PointList list < class BoundaryPointSet * >
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| 59 | #define PointPair pair < int, class BoundaryPointSet * >
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| 60 | #define PointTestPair pair < PointMap::iterator, bool >
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| 61 | 
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| 62 | #define CandidateList list <class CandidateForTesselation *>
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| 63 | #define CandidateMap map <class BoundaryLineSet *, class CandidateForTesselation *>
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| 64 | 
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| 65 | #define LineMap multimap < int, class BoundaryLineSet * >
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| 66 | #define LineSet set < class BoundaryLineSet * >
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| 67 | #define LineList list < class BoundaryLineSet * >
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| 68 | #define LinePair pair < int, class BoundaryLineSet * >
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| 69 | #define LineTestPair pair < LineMap::iterator, bool >
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| 70 | 
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| 71 | #define TriangleMap map < int, class BoundaryTriangleSet * >
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| 72 | #define TriangleSet set < class BoundaryTriangleSet * >
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| 73 | #define TriangleList list < class BoundaryTriangleSet * >
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| 74 | #define TrianglePair pair < int, class BoundaryTriangleSet * >
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| 75 | #define TriangleTestPair pair < TrianglePair::iterator, bool >
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| 76 | 
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| 77 | #define PolygonMap map < int, class BoundaryPolygonSet * >
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| 78 | #define PolygonSet set < class BoundaryPolygonSet * >
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| 79 | #define PolygonList list < class BoundaryPolygonSet * >
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| 80 | 
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| 81 | #define DistanceToPointMap multimap <double, class BoundaryPointSet * >
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| 82 | #define DistanceToPointPair pair <double, class BoundaryPointSet * >
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| 83 | 
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| 84 | #define DistanceMultiMap multimap <double, pair < PointMap::iterator, PointMap::iterator> >
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| 85 | #define DistanceMultiMapPair pair <double, pair < PointMap::iterator, PointMap::iterator> >
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| 86 | 
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| 87 | #define TesselPointList list <TesselPoint *>
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| 88 | #define TesselPointSet set <TesselPoint *>
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| 89 | 
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| 90 | #define ListOfTesselPointList list<list <TesselPoint *> *>
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| 91 | 
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| 92 | enum centers {Opt, OtherOpt};
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| 93 | 
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| 94 | /********************************************** declarations *******************************/
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| 95 | 
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| 96 | template <typename T> void SetEndpointsOrdered(T endpoints[2], T endpoint1, T endpoint2)
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| 97 | {
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| 98 |   if (endpoint1->Nr < endpoint2->Nr) {
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| 99 |     endpoints[0] = endpoint1;
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| 100 |     endpoints[1] = endpoint2;
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| 101 |   } else {
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| 102 |     endpoints[0] = endpoint2;
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| 103 |     endpoints[1] = endpoint1;
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| 104 |   }
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| 105 | };
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| 106 | 
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| 107 | // ======================================================== class BoundaryPointSet =========================================
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| 108 | 
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| 109 | class BoundaryPointSet {
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| 110 |   public:
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| 111 |     BoundaryPointSet();
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| 112 |     BoundaryPointSet(TesselPoint * const Walker);
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| 113 |     ~BoundaryPointSet();
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| 114 | 
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| 115 |     void AddLine(BoundaryLineSet * const line);
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| 116 | 
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| 117 |     LineMap lines;
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| 118 |     int LinesCount;
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| 119 |     TesselPoint *node;
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| 120 |     double value;
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| 121 |     int Nr;
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| 122 | };
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| 123 | 
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| 124 | ostream & operator << (ostream &ost, const BoundaryPointSet &a);
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| 125 | 
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| 126 | // ======================================================== class BoundaryLineSet ==========================================
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| 127 | 
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| 128 | class BoundaryLineSet {
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| 129 |   public:
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| 130 |     BoundaryLineSet();
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| 131 |     BoundaryLineSet(BoundaryPointSet * const Point[2], const int number);
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| 132 |     BoundaryLineSet(BoundaryPointSet * const Point1, BoundaryPointSet * const Point2, const int number);
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| 133 |     ~BoundaryLineSet();
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| 134 | 
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| 135 |     void AddTriangle(BoundaryTriangleSet * const triangle);
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| 136 |     bool IsConnectedTo(const BoundaryLineSet * const line) const;
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| 137 |     bool ContainsBoundaryPoint(const BoundaryPointSet * const point) const;
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| 138 |     bool CheckConvexityCriterion() const;
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| 139 |     class BoundaryPointSet *GetOtherEndpoint(const BoundaryPointSet * const point) const;
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| 140 | 
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| 141 |     class BoundaryPointSet *endpoints[2];
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| 142 |     TriangleMap triangles;
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| 143 |     int Nr;
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| 144 |     bool skipped;
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| 145 | };
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| 146 | 
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| 147 | ostream & operator << (ostream &ost, const BoundaryLineSet &a);
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| 148 | 
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| 149 | // ======================================================== class BoundaryTriangleSet =======================================
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| 150 | 
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| 151 | class BoundaryTriangleSet {
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| 152 |   public:
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| 153 |     BoundaryTriangleSet();
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| 154 |     BoundaryTriangleSet(class BoundaryLineSet * const line[3], const int number);
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| 155 |     ~BoundaryTriangleSet();
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| 156 | 
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| 157 |     void GetNormalVector(const Vector &NormalVector);
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| 158 |     void GetCenter(Vector * const center) const;
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| 159 |     bool GetIntersectionInsideTriangle(const Vector * const MolCenter, const Vector * const x, Vector * const Intersection) const;
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| 160 |     double GetClosestPointInsideTriangle(const Vector * const x, Vector * const ClosestPoint) const;
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| 161 |     bool ContainsBoundaryLine(const BoundaryLineSet * const line) const;
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| 162 |     bool ContainsBoundaryPoint(const BoundaryPointSet * const point) const;
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| 163 |     bool ContainsBoundaryPoint(const TesselPoint * const point) const;
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| 164 |     class BoundaryPointSet *GetThirdEndpoint(const BoundaryLineSet * const line) const;
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| 165 |     bool IsPresentTupel(const BoundaryPointSet * const Points[3]) const;
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| 166 |     bool IsPresentTupel(const BoundaryTriangleSet * const T) const;
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| 167 | 
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| 168 |     class BoundaryPointSet *endpoints[3];
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| 169 |     class BoundaryLineSet *lines[3];
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| 170 |     Vector NormalVector;
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| 171 |     Vector SphereCenter;
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| 172 |     int Nr;
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| 173 | };
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| 174 | 
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| 175 | ostream & operator << (ostream &ost, const BoundaryTriangleSet &a);
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| 176 | 
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| 177 | 
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| 178 | // ======================================================== class BoundaryTriangleSet =======================================
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| 179 | 
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| 180 | /** Set of BoundaryPointSet.
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| 181 |  * This is just meant as a container for a group of endpoints, extending the node, line, triangle concept. However, this has
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| 182 |  * only marginally something to do with the tesselation. Hence, there is no incorporation into the bookkeeping of the Tesselation
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| 183 |  * class (i.e. no allocation, no deletion).
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| 184 |  * \note we assume that the set of endpoints reside (more or less) on a plane.
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| 185 |  */
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| 186 | class BoundaryPolygonSet {
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| 187 |   public:
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| 188 |     BoundaryPolygonSet();
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| 189 |     ~BoundaryPolygonSet();
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| 190 | 
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| 191 |     Vector * GetNormalVector(const Vector &NormalVector) const;
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| 192 |     void GetCenter(Vector *center) const;
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| 193 |     bool ContainsBoundaryLine(const BoundaryLineSet * const line) const;
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| 194 |     bool ContainsBoundaryPoint(const BoundaryPointSet * const point) const;
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| 195 |     bool ContainsBoundaryPoint(const TesselPoint * const point) const;
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| 196 |     bool ContainsBoundaryTriangle(const BoundaryTriangleSet * const point) const;
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| 197 |     bool ContainsPresentTupel(const BoundaryPointSet * const * Points, const int dim) const;
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| 198 |     bool ContainsPresentTupel(const BoundaryPolygonSet * const P) const;
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| 199 |     bool ContainsPresentTupel(const PointSet &endpoints) const;
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| 200 |     TriangleSet * GetAllContainedTrianglesFromEndpoints() const;
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| 201 |     bool FillPolygonFromTrianglesOfLine(const BoundaryLineSet * const line);
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| 202 | 
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| 203 |     PointSet endpoints;
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| 204 |     int Nr;
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| 205 | };
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| 206 | 
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| 207 | ostream & operator << (ostream &ost, const BoundaryPolygonSet &a);
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| 208 | 
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| 209 | // =========================================================== class TESSELPOINT ===========================================
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| 210 | 
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| 211 | /** Is a single point of the set of Vectors, also a super-class to be inherited and and its functions to be implemented.
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| 212 |  */
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| 213 | class TesselPoint : virtual public ParticleInfo {
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| 214 | public:
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| 215 |   TesselPoint();
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| 216 |   virtual ~TesselPoint();
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| 217 | 
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| 218 |   Vector *node;   // pointer to position of the dot in space
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| 219 | 
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| 220 |   virtual ostream & operator << (ostream &ost);
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| 221 | };
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| 222 | 
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| 223 | ostream & operator << (ostream &ost, const TesselPoint &a);
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| 224 | 
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| 225 | // =========================================================== class POINTCLOUD ============================================
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| 226 | 
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| 227 | /** Super-class for all point clouds structures, also molecules. They have to inherit this structure and implement the virtual function to access the Vectors.
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| 228 |  * This basically encapsulates a list structure.
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| 229 |  */
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| 230 | class PointCloud {
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| 231 | public:
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| 232 |   PointCloud();
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| 233 |   virtual ~PointCloud();
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| 234 | 
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| 235 |   virtual const char * const GetName() const { return "unknown"; };
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| 236 |   virtual Vector *GetCenter() const { return NULL; };
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| 237 |   virtual TesselPoint *GetPoint() const { return NULL; };
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| 238 |   virtual TesselPoint *GetTerminalPoint() const { return NULL; };
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| 239 |   virtual int GetMaxId() const { return 0; };
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| 240 |   virtual void GoToNext() const {};
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| 241 |   virtual void GoToPrevious() const {};
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| 242 |   virtual void GoToFirst() const {};
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| 243 |   virtual void GoToLast() const {};
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| 244 |   virtual bool IsEmpty() const { return true; };
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| 245 |   virtual bool IsEnd() const { return true; };
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| 246 | };
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| 247 | 
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| 248 | // ======================================================== class CandidateForTesselation =========================================
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| 249 | 
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| 250 | class CandidateForTesselation {
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| 251 |   public :
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| 252 |   CandidateForTesselation(BoundaryLineSet* currentBaseLine);
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| 253 |   CandidateForTesselation(TesselPoint* candidate, BoundaryLineSet* currentBaseLine, BoundaryPointSet *point, Vector OptCandidateCenter, Vector OtherOptCandidateCenter);
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| 254 |   ~CandidateForTesselation();
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| 255 | 
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| 256 |   bool CheckValidity(const double RADIUS, const LinkedCell *LC) const;
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| 257 | 
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| 258 |   TesselPointList pointlist;
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| 259 |   const BoundaryLineSet * BaseLine;
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| 260 |   const BoundaryPointSet * ThirdPoint;
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| 261 |   const BoundaryTriangleSet *T;
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| 262 |   Vector OldCenter;
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| 263 |   Vector OptCenter;
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| 264 |   Vector OtherOptCenter;
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| 265 |   double ShortestAngle;
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| 266 |   double OtherShortestAngle;
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| 267 | };
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| 268 | 
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| 269 | ostream & operator <<(ostream &ost, const  CandidateForTesselation &a);
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| 270 | 
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| 271 | // =========================================================== class TESSELATION ===========================================
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| 272 | 
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| 273 | /** Contains the envelope to a PointCloud.
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| 274 |  */
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| 275 | class Tesselation : public PointCloud {
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| 276 |   public:
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| 277 | 
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| 278 |     Tesselation();
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| 279 |     virtual ~Tesselation();
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| 280 | 
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| 281 |     void AddTesselationPoint(TesselPoint* Candidate, const int n);
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| 282 |     void SetTesselationPoint(TesselPoint* Candidate, const int n) const;
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| 283 |     void AddTesselationLine(const Vector * const OptCenter, const BoundaryPointSet * const candidate, class BoundaryPointSet *a, class BoundaryPointSet *b, const int n);
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| 284 |     void AddNewTesselationTriangleLine(class BoundaryPointSet *a, class BoundaryPointSet *b, const int n);
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| 285 |     void AddExistingTesselationTriangleLine(class BoundaryLineSet *FindLine, int n);
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| 286 |     void AddTesselationTriangle();
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| 287 |     void AddTesselationTriangle(const int nr);
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| 288 |     void AddCandidateTriangle(CandidateForTesselation &CandidateLine, enum centers type);
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| 289 |     void AddDegeneratedTriangle(CandidateForTesselation &CandidateLine, const double RADIUS, const LinkedCell *LC);
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| 290 |     void AddCandidatePolygon(CandidateForTesselation CandidateLine, const double RADIUS, const LinkedCell *LC);
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| 291 |     void RemoveTesselationTriangle(class BoundaryTriangleSet *triangle);
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| 292 |     void RemoveTesselationLine(class BoundaryLineSet *line);
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| 293 |     void RemoveTesselationPoint(class BoundaryPointSet *point);
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| 294 |     bool CheckDegeneracy(CandidateForTesselation &CandidateLine, const double RADIUS, const LinkedCell *LC) const;
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| 295 | 
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| 296 | 
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| 297 |     // concave envelope
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| 298 |     bool FindStartingTriangle(const double RADIUS, const LinkedCell *LC);
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| 299 |     void FindSecondPointForTesselation(class TesselPoint* a, Vector Oben, class TesselPoint*& OptCandidate, double Storage[3], double RADIUS, const LinkedCell *LC);
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| 300 |     void FindThirdPointForTesselation(const Vector &NormalVector, const Vector &SearchDirection, const Vector &OldSphereCenter, CandidateForTesselation &CandidateLine, const class BoundaryPointSet  * const ThirdNode, const double RADIUS, const LinkedCell *LC) const;
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| 301 |     bool FindNextSuitableTriangle(CandidateForTesselation &CandidateLine, const BoundaryTriangleSet &T, const double& RADIUS, const LinkedCell *LC);
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| 302 |     bool FindCandidatesforOpenLines(const double RADIUS, const LinkedCell *&LCList);
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| 303 |     int CheckPresenceOfTriangle(class TesselPoint *Candidates[3]) const;
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| 304 |     class BoundaryTriangleSet * GetPresentTriangle(TesselPoint *Candidates[3]);
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| 305 | 
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| 306 |     // convex envelope
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| 307 |     void TesselateOnBoundary(const PointCloud * const cloud);
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| 308 |     void GuessStartingTriangle();
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| 309 |     bool InsertStraddlingPoints(const PointCloud *cloud, const LinkedCell *LC);
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| 310 |     double RemovePointFromTesselatedSurface(class BoundaryPointSet *point);
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| 311 |     class BoundaryLineSet * FlipBaseline(class BoundaryLineSet *Base);
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| 312 |     double PickFarthestofTwoBaselines(class BoundaryLineSet *Base);
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| 313 |     class BoundaryPointSet *IsConvexRectangle(class BoundaryLineSet *Base);
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| 314 |     IndexToIndex * FindAllDegeneratedTriangles();
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| 315 |     IndexToIndex * FindAllDegeneratedLines();
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| 316 |     void RemoveDegeneratedTriangles();
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| 317 |     void AddBoundaryPointByDegeneratedTriangle(class TesselPoint *point, LinkedCell *LC);
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| 318 |     int CorrectAllDegeneratedPolygons();
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| 319 | 
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| 320 |     TesselPointSet * GetAllConnectedPoints(const TesselPoint* const Point) const;
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| 321 |     TriangleSet * GetAllTriangles(const BoundaryPointSet * const Point) const;
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| 322 |     ListOfTesselPointList * GetPathsOfConnectedPoints(const TesselPoint* const Point) const;
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| 323 |     ListOfTesselPointList * GetClosedPathsOfConnectedPoints(const TesselPoint* const Point) const;
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| 324 |     TesselPointList * GetCircleOfSetOfPoints(TesselPointSet *SetOfNeighbours, const TesselPoint* const Point, const Vector * const Reference = NULL) const;
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| 325 |     TesselPointList * GetCircleOfConnectedTriangles(TesselPointSet *SetOfNeighbours, const TesselPoint* const Point, const Vector * const Reference) const;
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| 326 |     class BoundaryPointSet * GetCommonEndpoint(const BoundaryLineSet * line1, const BoundaryLineSet * line2) const;
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| 327 |     TriangleList * FindTriangles(const TesselPoint* const Points[3]) const;
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| 328 |     TriangleList * FindClosestTrianglesToVector(const Vector *x, const LinkedCell* LC) const;
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| 329 |     BoundaryTriangleSet * FindClosestTriangleToVector(const Vector *x, const LinkedCell* LC) const;
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| 330 |     bool IsInnerPoint(const Vector &Point, const LinkedCell* const LC) const;
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| 331 |     double GetDistanceSquaredToTriangle(const Vector &Point, const BoundaryTriangleSet* const triangle) const;
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| 332 |     double GetDistanceToSurface(const Vector &Point, const LinkedCell* const LC) const;
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| 333 |     BoundaryTriangleSet * GetClosestTriangleOnSurface(const Vector &Point, const LinkedCell* const LC) const;
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| 334 |     bool AddBoundaryPoint(TesselPoint * Walker, const int n);
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| 335 |     DistanceToPointMap * FindClosestBoundaryPointsToVector(const Vector *x, const LinkedCell* LC) const;
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| 336 |     BoundaryLineSet * FindClosestBoundaryLineToVector(const Vector *x, const LinkedCell* LC) const;
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| 337 | 
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| 338 |     // print for debugging
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| 339 |     void PrintAllBoundaryPoints(ofstream *out) const;
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| 340 |     void PrintAllBoundaryLines(ofstream *out) const;
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| 341 |     void PrintAllBoundaryTriangles(ofstream *out) const;
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| 342 | 
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| 343 |     // store envelope in file
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| 344 |     void Output(const char *filename, const PointCloud * const cloud);
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| 345 | 
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| 346 |     PointMap PointsOnBoundary;
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| 347 |     LineMap LinesOnBoundary;
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| 348 |     CandidateMap OpenLines;
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| 349 |     TriangleMap TrianglesOnBoundary;
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| 350 |     int PointsOnBoundaryCount;
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| 351 |     int LinesOnBoundaryCount;
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| 352 |     int TrianglesOnBoundaryCount;
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| 353 | 
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| 354 |     // PointCloud implementation for PointsOnBoundary
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| 355 |     virtual Vector *GetCenter(ofstream *out) const;
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| 356 |     virtual TesselPoint *GetPoint() const;
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| 357 |     virtual TesselPoint *GetTerminalPoint() const;
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| 358 |     virtual void GoToNext() const;
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| 359 |     virtual void GoToPrevious() const;
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| 360 |     virtual void GoToFirst() const;
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| 361 |     virtual void GoToLast() const;
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| 362 |     virtual bool IsEmpty() const;
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| 363 |     virtual bool IsEnd() const;
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| 364 | 
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| 365 |     class BoundaryPointSet *BPS[2];
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| 366 |     class BoundaryLineSet *BLS[3];
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| 367 |     class BoundaryTriangleSet *BTS;
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| 368 |     class BoundaryTriangleSet *LastTriangle;
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| 369 |     int TriangleFilesWritten;
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| 370 | 
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| 371 |   private:
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| 372 |     mutable class BoundaryPointSet *TPS[3]; //this is a Storage for pointers to triangle points, this and BPS[2] needed due to AddLine restrictions
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| 373 | 
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| 374 |     mutable PointMap::const_iterator InternalPointer;
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| 375 | 
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| 376 |     //bool HasOtherBaselineBetterCandidate(const BoundaryLineSet * const BaseRay, const TesselPoint * const OptCandidate, double ShortestAngle, double RADIUS, const LinkedCell * const LC) const;
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| 377 |     void FindDegeneratedCandidatesforOpenLines(TesselPoint * const Sprinter, const Vector * const OptCenter);
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| 378 | };
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| 379 | 
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| 380 | 
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| 381 | #endif /* TESSELATION_HPP_ */
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