source: src/tesselation.hpp@ 315164

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Last change on this file since 315164 was 9473f6, checked in by Frederik Heber <heber@…>, 15 years ago

FillBoxWithMolecule now allows boundary between filler molecules and the surface.

  • Property mode set to 100644
File size: 15.1 KB
Line 
1/*
2 * tesselation.hpp
3 *
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.
5 *
6 * Created on: Aug 3, 2009
7 * Author: heber
8 */
9
10#ifndef TESSELATION_HPP_
11#define TESSELATION_HPP_
12
13using namespace std;
14
15/*********************************************** includes ***********************************/
16
17// include config.h
18#ifdef HAVE_CONFIG_H
19#include <config.h>
20#endif
21
22#include <map>
23#include <list>
24#include <set>
25#include <stack>
26
27#include "atom_particleinfo.hpp"
28#include "helpers.hpp"
29#include "vector.hpp"
30
31/****************************************** forward declarations *****************************/
32
33class BoundaryPointSet;
34class BoundaryLineSet;
35class BoundaryTriangleSet;
36class LinkedCell;
37class TesselPoint;
38class PointCloud;
39class Tesselation;
40
41/********************************************** definitions *********************************/
42
43#define DoTecplotOutput 1
44#define DoRaster3DOutput 1
45#define DoVRMLOutput 1
46#define TecplotSuffix ".dat"
47#define Raster3DSuffix ".r3d"
48#define VRMLSUffix ".wrl"
49
50#define ParallelEpsilon 1e-3
51
52// ======================================================= some template functions =========================================
53
54#define IndexToIndex map <int, int>
55
56#define PointMap map < int, class BoundaryPointSet * >
57#define PointSet set < class BoundaryPointSet * >
58#define PointList list < class BoundaryPointSet * >
59#define PointPair pair < int, class BoundaryPointSet * >
60#define PointTestPair pair < PointMap::iterator, bool >
61
62#define CandidateList list <class CandidateForTesselation *>
63#define CandidateMap map <class BoundaryLineSet *, class CandidateForTesselation *>
64
65#define LineMap multimap < int, class BoundaryLineSet * >
66#define LineSet set < class BoundaryLineSet * >
67#define LineList list < class BoundaryLineSet * >
68#define LinePair pair < int, class BoundaryLineSet * >
69#define LineTestPair pair < LineMap::iterator, bool >
70
71#define TriangleMap map < int, class BoundaryTriangleSet * >
72#define TriangleSet set < class BoundaryTriangleSet * >
73#define TriangleList list < class BoundaryTriangleSet * >
74#define TrianglePair pair < int, class BoundaryTriangleSet * >
75#define TriangleTestPair pair < TrianglePair::iterator, bool >
76
77#define PolygonMap map < int, class BoundaryPolygonSet * >
78#define PolygonSet set < class BoundaryPolygonSet * >
79#define PolygonList list < class BoundaryPolygonSet * >
80
81#define DistanceToPointMap multimap <double, class BoundaryPointSet * >
82#define DistanceToPointPair pair <double, class BoundaryPointSet * >
83
84#define DistanceMultiMap multimap <double, pair < PointMap::iterator, PointMap::iterator> >
85#define DistanceMultiMapPair pair <double, pair < PointMap::iterator, PointMap::iterator> >
86
87#define TesselPointList list <TesselPoint *>
88#define TesselPointSet set <TesselPoint *>
89
90/********************************************** declarations *******************************/
91
92template <typename T> void SetEndpointsOrdered(T endpoints[2], T endpoint1, T endpoint2)
93{
94 if (endpoint1->Nr < endpoint2->Nr) {
95 endpoints[0] = endpoint1;
96 endpoints[1] = endpoint2;
97 } else {
98 endpoints[0] = endpoint2;
99 endpoints[1] = endpoint1;
100 }
101};
102
103// ======================================================== class BoundaryPointSet =========================================
104
105class BoundaryPointSet {
106 public:
107 BoundaryPointSet();
108 BoundaryPointSet(TesselPoint * const Walker);
109 ~BoundaryPointSet();
110
111 void AddLine(BoundaryLineSet * const line);
112
113 LineMap lines;
114 int LinesCount;
115 TesselPoint *node;
116 double value;
117 int Nr;
118};
119
120ostream & operator << (ostream &ost, const BoundaryPointSet &a);
121
122// ======================================================== class BoundaryLineSet ==========================================
123
124class BoundaryLineSet {
125 public:
126 BoundaryLineSet();
127 BoundaryLineSet(BoundaryPointSet * const Point[2], const int number);
128 BoundaryLineSet(BoundaryPointSet * const Point1, BoundaryPointSet * const Point2, const int number);
129 ~BoundaryLineSet();
130
131 void AddTriangle(BoundaryTriangleSet * const triangle);
132 bool IsConnectedTo(const BoundaryLineSet * const line) const;
133 bool ContainsBoundaryPoint(const BoundaryPointSet * const point) const;
134 bool CheckConvexityCriterion() const;
135 class BoundaryPointSet *GetOtherEndpoint(const BoundaryPointSet * const point) const;
136
137 class BoundaryPointSet *endpoints[2];
138 TriangleMap triangles;
139 int Nr;
140 bool skipped;
141};
142
143ostream & operator << (ostream &ost, const BoundaryLineSet &a);
144
145// ======================================================== class BoundaryTriangleSet =======================================
146
147class BoundaryTriangleSet {
148 public:
149 BoundaryTriangleSet();
150 BoundaryTriangleSet(class BoundaryLineSet * const line[3], const int number);
151 ~BoundaryTriangleSet();
152
153 void GetNormalVector(const Vector &NormalVector);
154 void GetCenter(Vector * const center) const;
155 bool GetIntersectionInsideTriangle(const Vector * const MolCenter, const Vector * const x, Vector * const Intersection) const;
156 double GetClosestPointInsideTriangle(const Vector * const x, Vector * const ClosestPoint) const;
157 bool ContainsBoundaryLine(const BoundaryLineSet * const line) const;
158 bool ContainsBoundaryPoint(const BoundaryPointSet * const point) const;
159 bool ContainsBoundaryPoint(const TesselPoint * const point) const;
160 class BoundaryPointSet *GetThirdEndpoint(const BoundaryLineSet * const line) const;
161 bool IsPresentTupel(const BoundaryPointSet * const Points[3]) const;
162 bool IsPresentTupel(const BoundaryTriangleSet * const T) const;
163
164 class BoundaryPointSet *endpoints[3];
165 class BoundaryLineSet *lines[3];
166 Vector NormalVector;
167 Vector SphereCenter;
168 int Nr;
169};
170
171ostream & operator << (ostream &ost, const BoundaryTriangleSet &a);
172
173
174// ======================================================== class BoundaryTriangleSet =======================================
175
176/** Set of BoundaryPointSet.
177 * This is just meant as a container for a group of endpoints, extending the node, line, triangle concept. However, this has
178 * only marginally something to do with the tesselation. Hence, there is no incorporation into the bookkeeping of the Tesselation
179 * class (i.e. no allocation, no deletion).
180 * \note we assume that the set of endpoints reside (more or less) on a plane.
181 */
182class BoundaryPolygonSet {
183 public:
184 BoundaryPolygonSet();
185 ~BoundaryPolygonSet();
186
187 Vector * GetNormalVector(const Vector &NormalVector) const;
188 void GetCenter(Vector *center) const;
189 bool ContainsBoundaryLine(const BoundaryLineSet * const line) const;
190 bool ContainsBoundaryPoint(const BoundaryPointSet * const point) const;
191 bool ContainsBoundaryPoint(const TesselPoint * const point) const;
192 bool ContainsBoundaryTriangle(const BoundaryTriangleSet * const point) const;
193 bool ContainsPresentTupel(const BoundaryPointSet * const * Points, const int dim) const;
194 bool ContainsPresentTupel(const BoundaryPolygonSet * const P) const;
195 bool ContainsPresentTupel(const PointSet &endpoints) const;
196 TriangleSet * GetAllContainedTrianglesFromEndpoints() const;
197 bool FillPolygonFromTrianglesOfLine(const BoundaryLineSet * const line);
198
199 PointSet endpoints;
200 int Nr;
201};
202
203ostream & operator << (ostream &ost, const BoundaryPolygonSet &a);
204
205// =========================================================== class TESSELPOINT ===========================================
206
207/** Is a single point of the set of Vectors, also a super-class to be inherited and and its functions to be implemented.
208 */
209class TesselPoint : virtual public ParticleInfo {
210public:
211 TesselPoint();
212 virtual ~TesselPoint();
213
214 Vector *node; // pointer to position of the dot in space
215
216 virtual ostream & operator << (ostream &ost);
217};
218
219ostream & operator << (ostream &ost, const TesselPoint &a);
220
221// =========================================================== class POINTCLOUD ============================================
222
223/** Super-class for all point clouds structures, also molecules. They have to inherit this structure and implement the virtual function to access the Vectors.
224 * This basically encapsulates a list structure.
225 */
226class PointCloud {
227public:
228 PointCloud();
229 virtual ~PointCloud();
230
231 virtual const char * const GetName() const { return "unknown"; };
232 virtual Vector *GetCenter() const { return NULL; };
233 virtual TesselPoint *GetPoint() const { return NULL; };
234 virtual TesselPoint *GetTerminalPoint() const { return NULL; };
235 virtual int GetMaxId() const { return 0; };
236 virtual void GoToNext() const {};
237 virtual void GoToPrevious() const {};
238 virtual void GoToFirst() const {};
239 virtual void GoToLast() const {};
240 virtual bool IsEmpty() const { return true; };
241 virtual bool IsEnd() const { return true; };
242};
243
244// ======================================================== class CandidateForTesselation =========================================
245
246class CandidateForTesselation {
247 public :
248 CandidateForTesselation(BoundaryLineSet* currentBaseLine);
249 CandidateForTesselation(TesselPoint* candidate, BoundaryLineSet* currentBaseLine, Vector OptCandidateCenter, Vector OtherOptCandidateCenter);
250 ~CandidateForTesselation();
251
252 TesselPointList pointlist;
253 BoundaryLineSet *BaseLine;
254 Vector OptCenter;
255 Vector OtherOptCenter;
256 double ShortestAngle;
257 double OtherShortestAngle;
258};
259
260ostream & operator <<(ostream &ost, const CandidateForTesselation &a);
261
262// =========================================================== class TESSELATION ===========================================
263
264/** Contains the envelope to a PointCloud.
265 */
266class Tesselation : public PointCloud {
267 public:
268
269 Tesselation();
270 virtual ~Tesselation();
271
272 void AddTesselationPoint(TesselPoint* Candidate, const int n);
273 void SetTesselationPoint(TesselPoint* Candidate, const int n) const;
274 void AddTesselationLine(class BoundaryPointSet *a, class BoundaryPointSet *b, const int n);
275 void AlwaysAddTesselationTriangleLine(class BoundaryPointSet *a, class BoundaryPointSet *b, const int n);
276 void AddTesselationTriangle();
277 void AddTesselationTriangle(const int nr);
278 void AddCandidateTriangle(CandidateForTesselation CandidateLine);
279 void RemoveTesselationTriangle(class BoundaryTriangleSet *triangle);
280 void RemoveTesselationLine(class BoundaryLineSet *line);
281 void RemoveTesselationPoint(class BoundaryPointSet *point);
282
283
284 // concave envelope
285 void FindStartingTriangle(const double RADIUS, const LinkedCell *LC);
286 void FindSecondPointForTesselation(class TesselPoint* a, Vector Oben, class TesselPoint*& OptCandidate, double Storage[3], double RADIUS, const LinkedCell *LC);
287 void FindThirdPointForTesselation(Vector &NormalVector, Vector &SearchDirection, Vector &OldSphereCenter, CandidateForTesselation &CandidateLine, const class TesselPoint * const ThirdNode, const double RADIUS, const LinkedCell *LC) const;
288 bool FindNextSuitableTriangle(CandidateForTesselation &CandidateLine, BoundaryTriangleSet &T, const double& RADIUS, const LinkedCell *LC);
289 int CheckPresenceOfTriangle(class TesselPoint *Candidates[3]) const;
290 class BoundaryTriangleSet * GetPresentTriangle(TesselPoint *Candidates[3]);
291
292 // convex envelope
293 void TesselateOnBoundary(const PointCloud * const cloud);
294 void GuessStartingTriangle();
295 bool InsertStraddlingPoints(const PointCloud *cloud, const LinkedCell *LC);
296 double RemovePointFromTesselatedSurface(class BoundaryPointSet *point);
297 class BoundaryLineSet * FlipBaseline(class BoundaryLineSet *Base);
298 double PickFarthestofTwoBaselines(class BoundaryLineSet *Base);
299 class BoundaryPointSet *IsConvexRectangle(class BoundaryLineSet *Base);
300 map<int, int> * FindAllDegeneratedTriangles();
301 map<int, int> * FindAllDegeneratedLines();
302 void RemoveDegeneratedTriangles();
303 void AddBoundaryPointByDegeneratedTriangle(class TesselPoint *point, LinkedCell *LC);
304 int CorrectAllDegeneratedPolygons();
305
306 set<TesselPoint*> * GetAllConnectedPoints(const TesselPoint* const Point) const;
307 set<BoundaryTriangleSet*> *GetAllTriangles(const BoundaryPointSet * const Point) const;
308 list<list<TesselPoint*> *> * GetPathsOfConnectedPoints(const TesselPoint* const Point) const;
309 list<list<TesselPoint*> *> * GetClosedPathsOfConnectedPoints(const TesselPoint* const Point) const;
310 list<TesselPoint*> * GetCircleOfSetOfPoints(set<TesselPoint*> *SetOfNeighbours, const TesselPoint* const Point, const Vector * const Reference = NULL) const;
311 list<TesselPoint*> * GetCircleOfConnectedTriangles(set<TesselPoint*> *SetOfNeighbours, const TesselPoint* const Point, const Vector * const Reference) const;
312 class BoundaryPointSet *GetCommonEndpoint(const BoundaryLineSet * line1, const BoundaryLineSet * line2) const;
313 list<BoundaryTriangleSet*> *FindTriangles(const TesselPoint* const Points[3]) const;
314 list<BoundaryTriangleSet*> * FindClosestTrianglesToPoint(const Vector *x, const LinkedCell* LC) const;
315 class BoundaryTriangleSet * FindClosestTriangleToPoint(const Vector *x, const LinkedCell* LC) const;
316 bool IsInnerPoint(const Vector &Point, const LinkedCell* const LC) const;
317 double GetDistanceSquaredToSurface(const Vector &Point, const LinkedCell* const LC) const;
318 bool AddBoundaryPoint(TesselPoint * Walker, const int n);
319 DistanceToPointMap * FindClosestBoundaryPointsToVector(const Vector *x, const LinkedCell* LC) const;
320 BoundaryLineSet * FindClosestBoundaryLineToVector(const Vector *x, const LinkedCell* LC) const;
321 TriangleList * FindClosestTrianglesToVector(const Vector *x, const LinkedCell* LC) const;
322 BoundaryTriangleSet* FindClosestTriangleToVector(const Vector *x, const LinkedCell* LC) const;
323
324 // print for debugging
325 void PrintAllBoundaryPoints(ofstream *out) const;
326 void PrintAllBoundaryLines(ofstream *out) const;
327 void PrintAllBoundaryTriangles(ofstream *out) const;
328
329 // store envelope in file
330 void Output(const char *filename, const PointCloud * const cloud);
331
332 PointMap PointsOnBoundary;
333 LineMap LinesOnBoundary;
334 CandidateMap OpenLines;
335 TriangleMap TrianglesOnBoundary;
336 int PointsOnBoundaryCount;
337 int LinesOnBoundaryCount;
338 int TrianglesOnBoundaryCount;
339
340 // PointCloud implementation for PointsOnBoundary
341 virtual Vector *GetCenter(ofstream *out) const;
342 virtual TesselPoint *GetPoint() const;
343 virtual TesselPoint *GetTerminalPoint() const;
344 virtual void GoToNext() const;
345 virtual void GoToPrevious() const;
346 virtual void GoToFirst() const;
347 virtual void GoToLast() const;
348 virtual bool IsEmpty() const;
349 virtual bool IsEnd() const;
350
351 class BoundaryPointSet *BPS[2];
352 class BoundaryLineSet *BLS[3];
353 class BoundaryTriangleSet *BTS;
354 class BoundaryTriangleSet *LastTriangle;
355 int TriangleFilesWritten;
356
357 private:
358 mutable class BoundaryPointSet *TPS[3]; //this is a Storage for pointers to triangle points, this and BPS[2] needed due to AddLine restrictions
359
360 mutable PointMap::const_iterator InternalPointer;
361
362 //bool HasOtherBaselineBetterCandidate(const BoundaryLineSet * const BaseRay, const TesselPoint * const OptCandidate, double ShortestAngle, double RADIUS, const LinkedCell * const LC) const;
363};
364
365
366#endif /* TESSELATION_HPP_ */
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