Changeset db177a for molecuilder/src/boundary.hpp

Timestamp:

Dec 4, 2008, 3:15:00 PM (17 years ago)

Author:

Christian Neuen <neuen@…>

Children:

735468

Parents:

3e20fe

Message:

several changes, now output is created, quality unknown

File:

• molecuilder/src/boundary.hpp (modified) (4 diffs)

molecuilder/src/boundary.hpp

@@ -36 +36 @@
     BoundaryPointSet(atom *Walker);
     ~BoundaryPointSet();
-    
+
     void AddLine(class BoundaryLineSet *line);
-    
+
     LineMap lines;
     int LinesCount;
@@ -64 +64 @@
     BoundaryTriangleSet(class BoundaryLineSet *line[3], int number);
     ~BoundaryTriangleSet();
-    
+
     void GetNormalVector(Vector &NormalVector);
-    
+
     class BoundaryPointSet *endpoints[3];
     class BoundaryLineSet *lines[3];
-    Vector *NormalVector;
+    Vector NormalVector;
     int Nr;
 };
@@ -75 +75 @@
 class Tesselation {
   public:
-    
+
     Tesselation();
     ~Tesselation();
-    
+
     void TesselateOnBoundary(ofstream *out, config *configuration, molecule *mol);
     void GuessStartingTriangle(ofstream *out);
     void AddPoint(atom * Walker);
     void Find_starting_triangle(molecule* mol, const double RADIUS);
-    void Find_next_suitable_triangle(molecule* mol, BoundaryLineSet Line, BoundaryTriangleSet T, const double& RADIUS);
-    
+    void Find_next_suitable_triangle(ofstream *out, ofstream *tecplot, molecule* mol, BoundaryLineSet &Line, BoundaryTriangleSet &T, const double& RADIUS);
+
     PointMap PointsOnBoundary;
     LineMap LinesOnBoundary;
@@ -105 +105 @@
 double * GetDiametersOfCluster(ofstream *out, Boundaries *BoundaryPtr, molecule *mol, bool IsAngstroem);
 void PrepareClustersinWater(ofstream *out, config *configuration, molecule *mol, double ClusterVolume, double celldensity);
-void Find_next_suitable_point(atom a, atom b, atom Candidate, int n, Vector *d1, Vector *d2, double *Storage, const double RADIUS, molecule *mol);
-void Find_non_convex_border(Tesselation Tess, molecule* mol);
+void Find_next_suitable_point(atom a, atom b, atom Candidate, int n, Vector *d1, Vector *d2, atom*& Opt_Candidate, double *Storage, const double RADIUS, molecule *mol, bool problem);
+void Find_non_convex_border(ofstream *out, ofstream *tecplot, Tesselation Tess, molecule* mol);