Changes in src/tesselation.hpp [d74077:952f38]

File:

• src/tesselation.hpp (modified) (7 diffs)

src/tesselation.hpp

@@ -2 +2 @@
  * tesselation.hpp
  *
- *  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.
+ *  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.
  *
  *  Created on: Aug 3, 2009
@@ -26 +25 @@
 #include <stack>
 
-#include "BoundaryMaps.hpp"
-#include "PointCloud.hpp"
-#include "TesselPoint.hpp"
 #include "atom_particleinfo.hpp"
-#include "helpers.hpp"
-#include "vector.hpp"
-
+#include "Helpers/helpers.hpp"
+#include "LinearAlgebra/Vector.hpp"
 
 /****************************************** forward declarations *****************************/
@@ -39 +34 @@
 class BoundaryLineSet;
 class BoundaryTriangleSet;
-class CandidateForTesselation;
 class LinkedCell;
+class TesselPoint;
+class PointCloud;
 class Tesselation;
 class Plane;
@@ -57 +53 @@
 // ======================================================= some template functions =========================================
 
+#define IndexToIndex map <int, int>
+
+#define PointMap map < int, class BoundaryPointSet * >
+#define PointSet set < class BoundaryPointSet * >
+#define PointList list < class BoundaryPointSet * >
+#define PointPair pair < int, class BoundaryPointSet * >
+#define PointTestPair pair < PointMap::iterator, bool >
+
+#define CandidateList list <class CandidateForTesselation *>
+#define CandidateMap map <class BoundaryLineSet *, class CandidateForTesselation *>
+
+#define LineMap multimap < int, class BoundaryLineSet * >
+#define LineSet set < class BoundaryLineSet * >
+#define LineList list < class BoundaryLineSet * >
+#define LinePair pair < int, class BoundaryLineSet * >
+#define LineTestPair pair < LineMap::iterator, bool >
+
+#define TriangleMap map < int, class BoundaryTriangleSet * >
+#define TriangleSet set < class BoundaryTriangleSet * >
+#define TriangleList list < class BoundaryTriangleSet * >
+#define TrianglePair pair < int, class BoundaryTriangleSet * >
+#define TriangleTestPair pair < TrianglePair::iterator, bool >
+
+#define PolygonMap map < int, class BoundaryPolygonSet * >
+#define PolygonSet set < class BoundaryPolygonSet * >
+#define PolygonList list < class BoundaryPolygonSet * >
+
+#define DistanceToPointMap multimap <double, class BoundaryPointSet * >
+#define DistanceToPointPair pair <double, class BoundaryPointSet * >
+
+#define DistanceMultiMap multimap <double, pair < PointMap::iterator, PointMap::iterator> >
+#define DistanceMultiMapPair pair <double, pair < PointMap::iterator, PointMap::iterator> >
+
+#define TesselPointList list <TesselPoint *>
+#define TesselPointSet set <TesselPoint *>
+
+#define ListOfTesselPointList list<list <TesselPoint *> *>
+
+enum centers {Opt, OtherOpt};
+
 /********************************************** declarations *******************************/
+
+template <typename T> void SetEndpointsOrdered(T endpoints[2], T endpoint1, T endpoint2)
+{
+  if (endpoint1->Nr < endpoint2->Nr) {
+    endpoints[0] = endpoint1;
+    endpoints[1] = endpoint2;
+  } else {
+    endpoints[0] = endpoint2;
+    endpoints[1] = endpoint1;
+  }
+};
+
+// ======================================================== class BoundaryPointSet =========================================
+
+class BoundaryPointSet {
+  public:
+    BoundaryPointSet();
+    BoundaryPointSet(TesselPoint * const Walker);
+    ~BoundaryPointSet();
+
+    void AddLine(BoundaryLineSet * const line);
+
+    LineMap lines;
+    int LinesCount;
+    TesselPoint *node;
+    double value;
+    int Nr;
+};
+
+ostream & operator << (ostream &ost, const BoundaryPointSet &a);
+
+// ======================================================== class BoundaryLineSet ==========================================
+
+class BoundaryLineSet {
+  public:
+    BoundaryLineSet();
+    BoundaryLineSet(BoundaryPointSet * const Point[2], const int number);
+    BoundaryLineSet(BoundaryPointSet * const Point1, BoundaryPointSet * const Point2, const int number);
+    ~BoundaryLineSet();
+
+    void AddTriangle(BoundaryTriangleSet * const triangle);
+    bool IsConnectedTo(const BoundaryLineSet * const line) const;
+    bool ContainsBoundaryPoint(const BoundaryPointSet * const point) const;
+    bool CheckConvexityCriterion() const;
+    double CalculateConvexity() const;
+    class BoundaryPointSet *GetOtherEndpoint(const BoundaryPointSet * const point) const;
+    class BoundaryTriangleSet *GetOtherTriangle(const BoundaryTriangleSet * const triangle) const;
+
+    class BoundaryPointSet *endpoints[2];
+    TriangleMap triangles;
+    int Nr;
+    bool skipped;
+};
+
+ostream & operator << (ostream &ost, const BoundaryLineSet &a);
+
+// ======================================================== class BoundaryTriangleSet =======================================
+
+class BoundaryTriangleSet {
+  public:
+    BoundaryTriangleSet();
+    BoundaryTriangleSet(class BoundaryLineSet * const line[3], const int number);
+    ~BoundaryTriangleSet();
+
+    void GetNormalVector(const Vector &NormalVector);
+    void GetCenter(Vector * const center) const;
+    bool GetIntersectionInsideTriangle(const Vector * const MolCenter, const Vector * const x, Vector * const Intersection) const;
+    double GetClosestPointInsideTriangle(const Vector * const x, Vector * const ClosestPoint) const;
+    bool ContainsBoundaryLine(const BoundaryLineSet * const line) const;
+    bool ContainsBoundaryPoint(const BoundaryPointSet * const point) const;
+    bool ContainsBoundaryPoint(const TesselPoint * const point) const;
+    class BoundaryPointSet *GetThirdEndpoint(const BoundaryLineSet * const line) const;
+    class BoundaryLineSet *GetThirdLine(const BoundaryPointSet * const point) const;
+    bool IsPresentTupel(const BoundaryPointSet * const Points[3]) const;
+    bool IsPresentTupel(const BoundaryTriangleSet * const T) const;
+
+    Plane getPlane() const;
+    Vector getEndpoint(int) const;
+    std::string getEndpointName(int) const;
+
+    class BoundaryPointSet *endpoints[3];
+    class BoundaryLineSet *lines[3];
+    Vector NormalVector;
+    Vector SphereCenter;
+    int Nr;
+
+  private:
+
+};
+
+ostream & operator << (ostream &ost, const BoundaryTriangleSet &a);
+
+
+// ======================================================== class BoundaryTriangleSet =======================================
+
+/** Set of BoundaryPointSet.
+ * This is just meant as a container for a group of endpoints, extending the node, line, triangle concept. However, this has
+ * only marginally something to do with the tesselation. Hence, there is no incorporation into the bookkeeping of the Tesselation
+ * class (i.e. no allocation, no deletion).
+ * \note we assume that the set of endpoints reside (more or less) on a plane.
+ */
+class BoundaryPolygonSet {
+  public:
+    BoundaryPolygonSet();
+    ~BoundaryPolygonSet();
+
+    Vector * GetNormalVector(const Vector &NormalVector) const;
+    void GetCenter(Vector *center) const;
+    bool ContainsBoundaryLine(const BoundaryLineSet * const line) const;
+    bool ContainsBoundaryPoint(const BoundaryPointSet * const point) const;
+    bool ContainsBoundaryPoint(const TesselPoint * const point) const;
+    bool ContainsBoundaryTriangle(const BoundaryTriangleSet * const point) const;
+    bool ContainsPresentTupel(const BoundaryPointSet * const * Points, const int dim) const;
+    bool ContainsPresentTupel(const BoundaryPolygonSet * const P) const;
+    bool ContainsPresentTupel(const PointSet &endpoints) const;
+    TriangleSet * GetAllContainedTrianglesFromEndpoints() const;
+    bool FillPolygonFromTrianglesOfLine(const BoundaryLineSet * const line);
+
+    PointSet endpoints;
+    int Nr;
+};
+
+ostream & operator << (ostream &ost, const BoundaryPolygonSet &a);
+
+// =========================================================== class TESSELPOINT ===========================================
+
+/** Is a single point of the set of Vectors, also a super-class to be inherited and and its functions to be implemented.
+ */
+class TesselPoint : virtual public ParticleInfo {
+public:
+  TesselPoint();
+  virtual ~TesselPoint();
+
+  Vector *node;   // pointer to position of the dot in space
+
+  virtual ostream & operator << (ostream &ost);
+};
+
+ostream & operator << (ostream &ost, const TesselPoint &a);
+
+// =========================================================== class POINTCLOUD ============================================
+
+/** Super-class for all point clouds structures, also molecules. They have to inherit this structure and implement the virtual function to access the Vectors.
+ * This basically encapsulates a list structure.
+ */
+class PointCloud {
+public:
+  PointCloud();
+  virtual ~PointCloud();
+
+  virtual const char * const GetName() const { return "unknown"; };
+  virtual Vector *GetCenter() const { return NULL; };
+  virtual TesselPoint *GetPoint() const { return NULL; };
+  virtual int GetMaxId() const { return 0; };
+  virtual void GoToNext() const {};
+  virtual void GoToFirst() const {};
+  virtual bool IsEmpty() const { return true; };
+  virtual bool IsEnd() const { return true; };
+};
+
+// ======================================================== class CandidateForTesselation =========================================
+
+class CandidateForTesselation {
+  public :
+  CandidateForTesselation(BoundaryLineSet* currentBaseLine);
+  CandidateForTesselation(TesselPoint* candidate, BoundaryLineSet* currentBaseLine, BoundaryPointSet *point, Vector OptCandidateCenter, Vector OtherOptCandidateCenter);
+  ~CandidateForTesselation();
+
+  bool CheckValidity(const double RADIUS, const LinkedCell *LC) const;
+
+  TesselPointList pointlist;
+  const BoundaryLineSet * BaseLine;
+  const BoundaryPointSet * ThirdPoint;
+  const BoundaryTriangleSet *T;
+  Vector OldCenter;
+  Vector OptCenter;
+  Vector OtherOptCenter;
+  double ShortestAngle;
+  double OtherShortestAngle;
+};
+
+ostream & operator <<(ostream &ost, const  CandidateForTesselation &a);
 
 // =========================================================== class TESSELATION ===========================================
@@ -71 +289 @@
     void AddTesselationPoint(TesselPoint* Candidate, const int n);
     void SetTesselationPoint(TesselPoint* Candidate, const int n) const;
-    void AddTesselationLine(const Vector * OptCenter, const BoundaryPointSet * const candidate, class BoundaryPointSet *a, class BoundaryPointSet *b, const int n);
+    void AddTesselationLine(const Vector * const OptCenter, const BoundaryPointSet * const candidate, class BoundaryPointSet *a, class BoundaryPointSet *b, const int n);
     void AddNewTesselationTriangleLine(class BoundaryPointSet *a, class BoundaryPointSet *b, const int n);
     void AddExistingTesselationTriangleLine(class BoundaryLineSet *FindLine, int n);
@@ -112 +330 @@
     ListOfTesselPointList * GetPathsOfConnectedPoints(const TesselPoint* const Point) const;
     ListOfTesselPointList * GetClosedPathsOfConnectedPoints(const TesselPoint* const Point) const;
-    TesselPointList * GetCircleOfSetOfPoints(TesselPointSet *SetOfNeighbours, const TesselPoint* const Point, const Vector &Reference) const;
-    TesselPointList * GetCircleOfConnectedTriangles(TesselPointSet *SetOfNeighbours, const TesselPoint* const Point, const Vector &Reference) const;
+    TesselPointList * GetCircleOfSetOfPoints(TesselPointSet *SetOfNeighbours, const TesselPoint* const Point, const Vector * const Reference = NULL) const;
+    TesselPointList * GetCircleOfConnectedTriangles(TesselPointSet *SetOfNeighbours, const TesselPoint* const Point, const Vector * const Reference) const;
     class BoundaryPointSet * GetCommonEndpoint(const BoundaryLineSet * line1, const BoundaryLineSet * line2) const;
     TriangleList * FindTriangles(const TesselPoint* const Points[3]) const;
-    TriangleList * FindClosestTrianglesToVector(const Vector &x, const LinkedCell* LC) const;
-    BoundaryTriangleSet * FindClosestTriangleToVector(const Vector &x, const LinkedCell* LC) const;
+    TriangleList * FindClosestTrianglesToVector(const Vector *x, const LinkedCell* LC) const;
+    BoundaryTriangleSet * FindClosestTriangleToVector(const Vector *x, const LinkedCell* LC) const;
     bool IsInnerPoint(const Vector &Point, const LinkedCell* const LC) const;
     double GetDistanceSquaredToTriangle(const Vector &Point, const BoundaryTriangleSet* const triangle) const;
@@ -123 +341 @@
     BoundaryTriangleSet * GetClosestTriangleOnSurface(const Vector &Point, const LinkedCell* const LC) const;
     bool AddBoundaryPoint(TesselPoint * Walker, const int n);
-    DistanceToPointMap * FindClosestBoundaryPointsToVector(const Vector &x, const LinkedCell* LC) const;
-    BoundaryLineSet * FindClosestBoundaryLineToVector(const Vector &x, const LinkedCell* LC) const;
+    DistanceToPointMap * FindClosestBoundaryPointsToVector(const Vector *x, const LinkedCell* LC) const;
+    BoundaryLineSet * FindClosestBoundaryLineToVector(const Vector *x, const LinkedCell* LC) const;
 
     // print for debugging