[357fba] | 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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[f66195] | 15 | /*********************************************** includes ***********************************/
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| 16 |
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[357fba] | 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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[7c14ec] | 24 | #include <set>
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[856098] | 25 | #include <stack>
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[357fba] | 26 |
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[6b919f8] | 27 | #include "atom_particleinfo.hpp"
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[4455f4] | 28 | #include "helpers.hpp"
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[6b919f8] | 29 | #include "vector.hpp"
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[357fba] | 30 |
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[f66195] | 31 | /****************************************** forward declarations *****************************/
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| 32 |
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[357fba] | 33 | class BoundaryPointSet;
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| 34 | class BoundaryLineSet;
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| 35 | class BoundaryTriangleSet;
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[f66195] | 36 | class LinkedCell;
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[357fba] | 37 | class TesselPoint;
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| 38 | class PointCloud;
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| 39 | class Tesselation;
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[d4c9ae] | 40 | class Plane;
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[357fba] | 41 |
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[f66195] | 42 | /********************************************** definitions *********************************/
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| 43 |
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[57066a] | 44 | #define DoTecplotOutput 1
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[09898c] | 45 | #define DoRaster3DOutput 1
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[734816] | 46 | #define DoVRMLOutput 0
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[57066a] | 47 | #define TecplotSuffix ".dat"
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| 48 | #define Raster3DSuffix ".r3d"
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| 49 | #define VRMLSUffix ".wrl"
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| 50 |
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[fad93c] | 51 | #define ParallelEpsilon 1e-3
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| 52 |
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[357fba] | 53 | // ======================================================= some template functions =========================================
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| 54 |
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[c15ca2] | 55 | #define IndexToIndex map <int, int>
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| 56 |
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[357fba] | 57 | #define PointMap map < int, class BoundaryPointSet * >
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[262bae] | 58 | #define PointSet set < class BoundaryPointSet * >
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| 59 | #define PointList list < class BoundaryPointSet * >
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[357fba] | 60 | #define PointPair pair < int, class BoundaryPointSet * >
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| 61 | #define PointTestPair pair < PointMap::iterator, bool >
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[262bae] | 62 |
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[357fba] | 63 | #define CandidateList list <class CandidateForTesselation *>
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[1e168b] | 64 | #define CandidateMap map <class BoundaryLineSet *, class CandidateForTesselation *>
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[357fba] | 65 |
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| 66 | #define LineMap multimap < int, class BoundaryLineSet * >
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[262bae] | 67 | #define LineSet set < class BoundaryLineSet * >
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| 68 | #define LineList list < class BoundaryLineSet * >
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[357fba] | 69 | #define LinePair pair < int, class BoundaryLineSet * >
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| 70 | #define LineTestPair pair < LineMap::iterator, bool >
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| 71 |
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| 72 | #define TriangleMap map < int, class BoundaryTriangleSet * >
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[262bae] | 73 | #define TriangleSet set < class BoundaryTriangleSet * >
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| 74 | #define TriangleList list < class BoundaryTriangleSet * >
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[357fba] | 75 | #define TrianglePair pair < int, class BoundaryTriangleSet * >
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| 76 | #define TriangleTestPair pair < TrianglePair::iterator, bool >
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| 77 |
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[262bae] | 78 | #define PolygonMap map < int, class BoundaryPolygonSet * >
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| 79 | #define PolygonSet set < class BoundaryPolygonSet * >
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| 80 | #define PolygonList list < class BoundaryPolygonSet * >
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| 81 |
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[97498a] | 82 | #define DistanceToPointMap multimap <double, class BoundaryPointSet * >
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| 83 | #define DistanceToPointPair pair <double, class BoundaryPointSet * >
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[c15ca2] | 84 |
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[357fba] | 85 | #define DistanceMultiMap multimap <double, pair < PointMap::iterator, PointMap::iterator> >
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| 86 | #define DistanceMultiMapPair pair <double, pair < PointMap::iterator, PointMap::iterator> >
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| 87 |
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[f67b6e] | 88 | #define TesselPointList list <TesselPoint *>
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[262bae] | 89 | #define TesselPointSet set <TesselPoint *>
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[f67b6e] | 90 |
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[244a84] | 91 | #define ListOfTesselPointList list<list <TesselPoint *> *>
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| 92 |
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[6613ec] | 93 | enum centers {Opt, OtherOpt};
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| 94 |
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[f66195] | 95 | /********************************************** declarations *******************************/
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[357fba] | 96 |
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| 97 | template <typename T> void SetEndpointsOrdered(T endpoints[2], T endpoint1, T endpoint2)
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| 98 | {
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| 99 | if (endpoint1->Nr < endpoint2->Nr) {
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| 100 | endpoints[0] = endpoint1;
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| 101 | endpoints[1] = endpoint2;
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| 102 | } else {
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| 103 | endpoints[0] = endpoint2;
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| 104 | endpoints[1] = endpoint1;
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| 105 | }
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| 106 | };
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| 107 |
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| 108 | // ======================================================== class BoundaryPointSet =========================================
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| 109 |
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| 110 | class BoundaryPointSet {
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| 111 | public:
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| 112 | BoundaryPointSet();
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[9473f6] | 113 | BoundaryPointSet(TesselPoint * const Walker);
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[357fba] | 114 | ~BoundaryPointSet();
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| 115 |
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[9473f6] | 116 | void AddLine(BoundaryLineSet * const line);
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[357fba] | 117 |
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| 118 | LineMap lines;
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| 119 | int LinesCount;
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| 120 | TesselPoint *node;
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[16d866] | 121 | double value;
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[357fba] | 122 | int Nr;
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| 123 | };
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| 124 |
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[776b64] | 125 | ostream & operator << (ostream &ost, const BoundaryPointSet &a);
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[357fba] | 126 |
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| 127 | // ======================================================== class BoundaryLineSet ==========================================
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| 128 |
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| 129 | class BoundaryLineSet {
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| 130 | public:
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| 131 | BoundaryLineSet();
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[9473f6] | 132 | BoundaryLineSet(BoundaryPointSet * const Point[2], const int number);
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| 133 | BoundaryLineSet(BoundaryPointSet * const Point1, BoundaryPointSet * const Point2, const int number);
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[357fba] | 134 | ~BoundaryLineSet();
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| 135 |
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[9473f6] | 136 | void AddTriangle(BoundaryTriangleSet * const triangle);
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| 137 | bool IsConnectedTo(const BoundaryLineSet * const line) const;
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| 138 | bool ContainsBoundaryPoint(const BoundaryPointSet * const point) const;
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| 139 | bool CheckConvexityCriterion() const;
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[b32dbb] | 140 | double CalculateConvexity() const;
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[9473f6] | 141 | class BoundaryPointSet *GetOtherEndpoint(const BoundaryPointSet * const point) const;
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[b32dbb] | 142 | class BoundaryTriangleSet *GetOtherTriangle(const BoundaryTriangleSet * const triangle) const;
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[357fba] | 143 |
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| 144 | class BoundaryPointSet *endpoints[2];
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| 145 | TriangleMap triangles;
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| 146 | int Nr;
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[1e168b] | 147 | bool skipped;
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[357fba] | 148 | };
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| 149 |
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[776b64] | 150 | ostream & operator << (ostream &ost, const BoundaryLineSet &a);
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[357fba] | 151 |
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| 152 | // ======================================================== class BoundaryTriangleSet =======================================
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| 153 |
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| 154 | class BoundaryTriangleSet {
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| 155 | public:
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| 156 | BoundaryTriangleSet();
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[9473f6] | 157 | BoundaryTriangleSet(class BoundaryLineSet * const line[3], const int number);
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[357fba] | 158 | ~BoundaryTriangleSet();
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| 159 |
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[9473f6] | 160 | void GetNormalVector(const Vector &NormalVector);
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| 161 | void GetCenter(Vector * const center) const;
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| 162 | bool GetIntersectionInsideTriangle(const Vector * const MolCenter, const Vector * const x, Vector * const Intersection) const;
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| 163 | double GetClosestPointInsideTriangle(const Vector * const x, Vector * const ClosestPoint) const;
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| 164 | bool ContainsBoundaryLine(const BoundaryLineSet * const line) const;
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| 165 | bool ContainsBoundaryPoint(const BoundaryPointSet * const point) const;
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| 166 | bool ContainsBoundaryPoint(const TesselPoint * const point) const;
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| 167 | class BoundaryPointSet *GetThirdEndpoint(const BoundaryLineSet * const line) const;
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[b32dbb] | 168 | class BoundaryLineSet *GetThirdLine(const BoundaryPointSet * const point) const;
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[9473f6] | 169 | bool IsPresentTupel(const BoundaryPointSet * const Points[3]) const;
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| 170 | bool IsPresentTupel(const BoundaryTriangleSet * const T) const;
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[357fba] | 171 |
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[d4c9ae] | 172 | Plane getPlane() const;
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[8f215d] | 173 | Vector getEndpoint(int) const;
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| 174 | std::string getEndpointName(int) const;
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[d4c9ae] | 175 |
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[357fba] | 176 | class BoundaryPointSet *endpoints[3];
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| 177 | class BoundaryLineSet *lines[3];
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| 178 | Vector NormalVector;
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[b998c3] | 179 | Vector SphereCenter;
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[357fba] | 180 | int Nr;
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[8f215d] | 181 |
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| 182 | private:
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| 183 |
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[357fba] | 184 | };
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| 185 |
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[776b64] | 186 | ostream & operator << (ostream &ost, const BoundaryTriangleSet &a);
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[357fba] | 187 |
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[262bae] | 188 |
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| 189 | // ======================================================== class BoundaryTriangleSet =======================================
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| 190 |
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| 191 | /** Set of BoundaryPointSet.
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| 192 | * 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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| 193 | * only marginally something to do with the tesselation. Hence, there is no incorporation into the bookkeeping of the Tesselation
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| 194 | * class (i.e. no allocation, no deletion).
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| 195 | * \note we assume that the set of endpoints reside (more or less) on a plane.
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| 196 | */
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| 197 | class BoundaryPolygonSet {
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| 198 | public:
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| 199 | BoundaryPolygonSet();
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| 200 | ~BoundaryPolygonSet();
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| 201 |
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| 202 | Vector * GetNormalVector(const Vector &NormalVector) const;
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| 203 | void GetCenter(Vector *center) const;
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| 204 | bool ContainsBoundaryLine(const BoundaryLineSet * const line) const;
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| 205 | bool ContainsBoundaryPoint(const BoundaryPointSet * const point) const;
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| 206 | bool ContainsBoundaryPoint(const TesselPoint * const point) const;
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| 207 | bool ContainsBoundaryTriangle(const BoundaryTriangleSet * const point) const;
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| 208 | bool ContainsPresentTupel(const BoundaryPointSet * const * Points, const int dim) const;
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| 209 | bool ContainsPresentTupel(const BoundaryPolygonSet * const P) const;
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| 210 | bool ContainsPresentTupel(const PointSet &endpoints) const;
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[856098] | 211 | TriangleSet * GetAllContainedTrianglesFromEndpoints() const;
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[262bae] | 212 | bool FillPolygonFromTrianglesOfLine(const BoundaryLineSet * const line);
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| 213 |
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| 214 | PointSet endpoints;
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| 215 | int Nr;
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| 216 | };
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| 217 |
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| 218 | ostream & operator << (ostream &ost, const BoundaryPolygonSet &a);
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| 219 |
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[357fba] | 220 | // =========================================================== class TESSELPOINT ===========================================
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| 221 |
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| 222 | /** 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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| 223 | */
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[4455f4] | 224 | class TesselPoint : virtual public ParticleInfo {
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[357fba] | 225 | public:
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| 226 | TesselPoint();
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[5c7bf8] | 227 | virtual ~TesselPoint();
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[357fba] | 228 |
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| 229 | Vector *node; // pointer to position of the dot in space
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[5c7bf8] | 230 |
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| 231 | virtual ostream & operator << (ostream &ost);
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[357fba] | 232 | };
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| 233 |
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| 234 | ostream & operator << (ostream &ost, const TesselPoint &a);
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| 235 |
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| 236 | // =========================================================== class POINTCLOUD ============================================
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| 237 |
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| 238 | /** 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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| 239 | * This basically encapsulates a list structure.
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| 240 | */
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| 241 | class PointCloud {
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| 242 | public:
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| 243 | PointCloud();
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[ab1932] | 244 | virtual ~PointCloud();
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[357fba] | 245 |
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[6a7f78c] | 246 | virtual const char * const GetName() const { return "unknown"; };
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[e138de] | 247 | virtual Vector *GetCenter() const { return NULL; };
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[776b64] | 248 | virtual TesselPoint *GetPoint() const { return NULL; };
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[71b20e] | 249 | virtual int GetMaxId() const { return 0; };
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[776b64] | 250 | virtual void GoToNext() const {};
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| 251 | virtual void GoToFirst() const {};
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[6a7f78c] | 252 | virtual bool IsEmpty() const { return true; };
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| 253 | virtual bool IsEnd() const { return true; };
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[357fba] | 254 | };
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| 255 |
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| 256 | // ======================================================== class CandidateForTesselation =========================================
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| 257 |
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| 258 | class CandidateForTesselation {
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| 259 | public :
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[1e168b] | 260 | CandidateForTesselation(BoundaryLineSet* currentBaseLine);
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[09898c] | 261 | CandidateForTesselation(TesselPoint* candidate, BoundaryLineSet* currentBaseLine, BoundaryPointSet *point, Vector OptCandidateCenter, Vector OtherOptCandidateCenter);
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[357fba] | 262 | ~CandidateForTesselation();
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| 263 |
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[734816] | 264 | bool CheckValidity(const double RADIUS, const LinkedCell *LC) const;
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| 265 |
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[f67b6e] | 266 | TesselPointList pointlist;
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[09898c] | 267 | const BoundaryLineSet * BaseLine;
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| 268 | const BoundaryPointSet * ThirdPoint;
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| 269 | const BoundaryTriangleSet *T;
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| 270 | Vector OldCenter;
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[357fba] | 271 | Vector OptCenter;
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| 272 | Vector OtherOptCenter;
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[1e168b] | 273 | double ShortestAngle;
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| 274 | double OtherShortestAngle;
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[357fba] | 275 | };
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| 276 |
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[1e168b] | 277 | ostream & operator <<(ostream &ost, const CandidateForTesselation &a);
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| 278 |
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[357fba] | 279 | // =========================================================== class TESSELATION ===========================================
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| 280 |
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| 281 | /** Contains the envelope to a PointCloud.
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| 282 | */
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[5c7bf8] | 283 | class Tesselation : public PointCloud {
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[357fba] | 284 | public:
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| 285 |
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| 286 | Tesselation();
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[5c7bf8] | 287 | virtual ~Tesselation();
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[357fba] | 288 |
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[776b64] | 289 | void AddTesselationPoint(TesselPoint* Candidate, const int n);
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[f1ef60a] | 290 | void SetTesselationPoint(TesselPoint* Candidate, const int n) const;
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[f07f86d] | 291 | void AddTesselationLine(const Vector * const OptCenter, const BoundaryPointSet * const candidate, class BoundaryPointSet *a, class BoundaryPointSet *b, const int n);
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[474961] | 292 | void AddNewTesselationTriangleLine(class BoundaryPointSet *a, class BoundaryPointSet *b, const int n);
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| 293 | void AddExistingTesselationTriangleLine(class BoundaryLineSet *FindLine, int n);
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[16d866] | 294 | void AddTesselationTriangle();
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[776b64] | 295 | void AddTesselationTriangle(const int nr);
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[6613ec] | 296 | void AddCandidateTriangle(CandidateForTesselation &CandidateLine, enum centers type);
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[711ac2] | 297 | void AddDegeneratedTriangle(CandidateForTesselation &CandidateLine, const double RADIUS, const LinkedCell *LC);
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[474961] | 298 | void AddCandidatePolygon(CandidateForTesselation CandidateLine, const double RADIUS, const LinkedCell *LC);
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[16d866] | 299 | void RemoveTesselationTriangle(class BoundaryTriangleSet *triangle);
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| 300 | void RemoveTesselationLine(class BoundaryLineSet *line);
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| 301 | void RemoveTesselationPoint(class BoundaryPointSet *point);
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[6613ec] | 302 | bool CheckDegeneracy(CandidateForTesselation &CandidateLine, const double RADIUS, const LinkedCell *LC) const;
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[16d866] | 303 |
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[357fba] | 304 |
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| 305 | // concave envelope
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[ce70970] | 306 | bool FindStartingTriangle(const double RADIUS, const LinkedCell *LC);
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[776b64] | 307 | void FindSecondPointForTesselation(class TesselPoint* a, Vector Oben, class TesselPoint*& OptCandidate, double Storage[3], double RADIUS, const LinkedCell *LC);
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[f07f86d] | 308 | 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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| 309 | bool FindNextSuitableTriangle(CandidateForTesselation &CandidateLine, const BoundaryTriangleSet &T, const double& RADIUS, const LinkedCell *LC);
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[6613ec] | 310 | bool FindCandidatesforOpenLines(const double RADIUS, const LinkedCell *&LCList);
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[f1ef60a] | 311 | int CheckPresenceOfTriangle(class TesselPoint *Candidates[3]) const;
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[e138de] | 312 | class BoundaryTriangleSet * GetPresentTriangle(TesselPoint *Candidates[3]);
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[357fba] | 313 |
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| 314 | // convex envelope
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[e138de] | 315 | void TesselateOnBoundary(const PointCloud * const cloud);
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| 316 | void GuessStartingTriangle();
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| 317 | bool InsertStraddlingPoints(const PointCloud *cloud, const LinkedCell *LC);
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| 318 | double RemovePointFromTesselatedSurface(class BoundaryPointSet *point);
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| 319 | class BoundaryLineSet * FlipBaseline(class BoundaryLineSet *Base);
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| 320 | double PickFarthestofTwoBaselines(class BoundaryLineSet *Base);
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| 321 | class BoundaryPointSet *IsConvexRectangle(class BoundaryLineSet *Base);
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[244a84] | 322 | IndexToIndex * FindAllDegeneratedTriangles();
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| 323 | IndexToIndex * FindAllDegeneratedLines();
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[7c14ec] | 324 | void RemoveDegeneratedTriangles();
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[e138de] | 325 | void AddBoundaryPointByDegeneratedTriangle(class TesselPoint *point, LinkedCell *LC);
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[262bae] | 326 | int CorrectAllDegeneratedPolygons();
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[16d866] | 327 |
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[244a84] | 328 | TesselPointSet * GetAllConnectedPoints(const TesselPoint* const Point) const;
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| 329 | TriangleSet * GetAllTriangles(const BoundaryPointSet * const Point) const;
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| 330 | ListOfTesselPointList * GetPathsOfConnectedPoints(const TesselPoint* const Point) const;
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| 331 | ListOfTesselPointList * GetClosedPathsOfConnectedPoints(const TesselPoint* const Point) const;
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| 332 | TesselPointList * GetCircleOfSetOfPoints(TesselPointSet *SetOfNeighbours, const TesselPoint* const Point, const Vector * const Reference = NULL) const;
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| 333 | TesselPointList * GetCircleOfConnectedTriangles(TesselPointSet *SetOfNeighbours, const TesselPoint* const Point, const Vector * const Reference) const;
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| 334 | class BoundaryPointSet * GetCommonEndpoint(const BoundaryLineSet * line1, const BoundaryLineSet * line2) const;
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| 335 | TriangleList * FindTriangles(const TesselPoint* const Points[3]) const;
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| 336 | TriangleList * FindClosestTrianglesToVector(const Vector *x, const LinkedCell* LC) const;
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| 337 | BoundaryTriangleSet * FindClosestTriangleToVector(const Vector *x, const LinkedCell* LC) const;
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[241485] | 338 | bool IsInnerPoint(const Vector &Point, const LinkedCell* const LC) const;
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[244a84] | 339 | double GetDistanceSquaredToTriangle(const Vector &Point, const BoundaryTriangleSet* const triangle) const;
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[8db598] | 340 | double GetDistanceToSurface(const Vector &Point, const LinkedCell* const LC) const;
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| 341 | BoundaryTriangleSet * GetClosestTriangleOnSurface(const Vector &Point, const LinkedCell* const LC) const;
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[776b64] | 342 | bool AddBoundaryPoint(TesselPoint * Walker, const int n);
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[97498a] | 343 | DistanceToPointMap * FindClosestBoundaryPointsToVector(const Vector *x, const LinkedCell* LC) const;
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[c15ca2] | 344 | BoundaryLineSet * FindClosestBoundaryLineToVector(const Vector *x, const LinkedCell* LC) const;
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[ab1932] | 345 |
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[0077b5] | 346 | // print for debugging
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[776b64] | 347 | void PrintAllBoundaryPoints(ofstream *out) const;
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| 348 | void PrintAllBoundaryLines(ofstream *out) const;
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| 349 | void PrintAllBoundaryTriangles(ofstream *out) const;
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[0077b5] | 350 |
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[57066a] | 351 | // store envelope in file
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[e138de] | 352 | void Output(const char *filename, const PointCloud * const cloud);
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[0077b5] | 353 |
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[357fba] | 354 | PointMap PointsOnBoundary;
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| 355 | LineMap LinesOnBoundary;
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[1e168b] | 356 | CandidateMap OpenLines;
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[357fba] | 357 | TriangleMap TrianglesOnBoundary;
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| 358 | int PointsOnBoundaryCount;
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| 359 | int LinesOnBoundaryCount;
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| 360 | int TrianglesOnBoundaryCount;
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| 361 |
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[5c7bf8] | 362 | // PointCloud implementation for PointsOnBoundary
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[776b64] | 363 | virtual Vector *GetCenter(ofstream *out) const;
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| 364 | virtual TesselPoint *GetPoint() const;
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| 365 | virtual void GoToNext() const;
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| 366 | virtual void GoToFirst() const;
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| 367 | virtual bool IsEmpty() const;
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| 368 | virtual bool IsEnd() const;
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[5c7bf8] | 369 |
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[357fba] | 370 | class BoundaryPointSet *BPS[2];
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| 371 | class BoundaryLineSet *BLS[3];
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| 372 | class BoundaryTriangleSet *BTS;
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[57066a] | 373 | class BoundaryTriangleSet *LastTriangle;
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| 374 | int TriangleFilesWritten;
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[5c7bf8] | 375 |
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[08ef35] | 376 | private:
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[f1ef60a] | 377 | 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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[08ef35] | 378 |
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[776b64] | 379 | mutable PointMap::const_iterator InternalPointer;
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[f1ef60a] | 380 |
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[f67b6e] | 381 | //bool HasOtherBaselineBetterCandidate(const BoundaryLineSet * const BaseRay, const TesselPoint * const OptCandidate, double ShortestAngle, double RADIUS, const LinkedCell * const LC) const;
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[6613ec] | 382 | void FindDegeneratedCandidatesforOpenLines(TesselPoint * const Sprinter, const Vector * const OptCenter);
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[357fba] | 383 | };
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| 384 |
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| 385 |
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| 386 | #endif /* TESSELATION_HPP_ */
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