Changeset e0c5b1 for molecuilder/src/boundary.hpp

Timestamp:

Dec 3, 2008, 2:12:05 PM (17 years ago)

Author:

Christian Neuen <neuen@…>

Children:

3e20fe

Parents:

f5b58e

Message:

Multiple changes to boundary, currently not fully operational.
Molecules has a new routine to create adjacency lists, reading bonds from a dbond file instead of looking for the distances by itself.
Vector function Project onto plane has been updated.

File:

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

molecuilder/src/boundary.hpp

@@ -82 +82 @@
     void GuessStartingTriangle(ofstream *out);
     void AddPoint(atom * Walker);
-    void Find_starting_triangle(molecule mol, const double RADIUS);
+    void Find_starting_triangle(molecule* mol, const double RADIUS);
     void Find_next_suitable_triangle(molecule* mol, BoundaryLineSet Line, BoundaryTriangleSet T, const double& RADIUS);
     
@@ -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);