Changeset 478683 for molecuilder/src/tesselation.hpp

Timestamp:

Jan 26, 2010, 12:52:31 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

8d0b25, d34341

Parents:

551a58

Message:

GetDistanceToSurface() separated, filling now with water instead of boron, DissectMoleculeIntoConnectedSubgraphs() now working on list of molecules instead of single one.

• MoleculeListClass::DissectMoleculeIntoConnectedSubgraphs() so far was working on a single molecule (given by parameter) instead of the list already contained in the list of its class.
• Tesselation::GetDistanceSquaredToSurface() is split up into function of same name, which calls finds the closest triangle and calls Tesselation::GetDistanceSquaredToTriangle() which contains the former code.
• PeriodicCorrelationToSurface() was adapted to the above split.
• in tesselation.cpp lots of list<> and set<>s were replaced by the already present and appropriate define's.

• small verbosity changes in: MatrixContainer::ParseMatrix(), TesselPoint::TesselPoint(), TesselPoint::~TesselPoint(), PointCloud::PointCloud(), PointCloud::~PointCloud(), Tesselation::GuessStartingTriangle(), BondGraph::LoadBondLengthTable() (status of parsing gives appropriate message).

Signed-off-by: Frederik Heber <heber@…>

File:

• molecuilder/src/tesselation.hpp (modified) (2 diffs)

molecuilder/src/tesselation.hpp

@@ -87 +87 @@
 #define TesselPointList list <TesselPoint *>
 #define TesselPointSet set <TesselPoint *>
+
+#define ListOfTesselPointList list<list <TesselPoint *> *>
 
 /********************************************** declarations *******************************/
@@ -298 +300 @@
     double PickFarthestofTwoBaselines(class BoundaryLineSet *Base);
     class BoundaryPointSet *IsConvexRectangle(class BoundaryLineSet *Base);
-    map<int, int> * FindAllDegeneratedTriangles();
-    map<int, int> * FindAllDegeneratedLines();
+    IndexToIndex * FindAllDegeneratedTriangles();
+    IndexToIndex * FindAllDegeneratedLines();
     void RemoveDegeneratedTriangles();
     void AddBoundaryPointByDegeneratedTriangle(class TesselPoint *point, LinkedCell *LC);
     int CorrectAllDegeneratedPolygons();
 
-    set<TesselPoint*> * GetAllConnectedPoints(const TesselPoint* const Point) const;
-    set<BoundaryTriangleSet*> *GetAllTriangles(const BoundaryPointSet * const Point) const;
-    list<list<TesselPoint*> *> * GetPathsOfConnectedPoints(const TesselPoint* const Point) const;
-    list<list<TesselPoint*> *> * GetClosedPathsOfConnectedPoints(const TesselPoint* const Point) const;
-    list<TesselPoint*> * GetCircleOfSetOfPoints(set<TesselPoint*> *SetOfNeighbours, const TesselPoint* const Point, const Vector * const Reference = NULL) const;
-    list<TesselPoint*> * GetCircleOfConnectedTriangles(set<TesselPoint*> *SetOfNeighbours, const TesselPoint* const Point, const Vector * const Reference) const;
-    class BoundaryPointSet *GetCommonEndpoint(const BoundaryLineSet * line1, const BoundaryLineSet * line2) const;
-    list<BoundaryTriangleSet*> *FindTriangles(const TesselPoint* const Points[3]) const;
-    list<BoundaryTriangleSet*> * FindClosestTrianglesToPoint(const Vector *x, const LinkedCell* LC) const;
-    class BoundaryTriangleSet * FindClosestTriangleToPoint(const Vector *x, const LinkedCell* LC) const;
+    TesselPointSet * GetAllConnectedPoints(const TesselPoint* const Point) const;
+    TriangleSet * GetAllTriangles(const BoundaryPointSet * const Point) const;
+    ListOfTesselPointList * GetPathsOfConnectedPoints(const TesselPoint* const Point) const;
+    ListOfTesselPointList * GetClosedPathsOfConnectedPoints(const TesselPoint* const Point) 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;
     bool IsInnerPoint(const Vector &Point, const LinkedCell* const LC) const;
+    double GetDistanceSquaredToTriangle(const Vector &Point, const BoundaryTriangleSet* const triangle) const;
     double GetDistanceSquaredToSurface(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;
-    TriangleList * FindClosestTrianglesToVector(const Vector *x, const LinkedCell* LC) const;
-    BoundaryTriangleSet* FindClosestTriangleToVector(const Vector *x, const LinkedCell* LC) const;
 
     // print for debugging