Changeset 3f0c46 for molecuilder/src/boundary.hpp

Timestamp:

Jun 13, 2008, 9:18:57 AM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

0779a9

Parents:

41c2f1

Message:

Final touches for Create Clusters in water

repetition in CreateClustersinWater(), some stuff thrown out in VolumeOfConvexEnvelope (loop to throw out some more points, which does not happen if we take any appearing in at least one BoundaryPoints), some variable declarations shifted to the start of a function, BoundaryPoints are given to functions and if NULL is created by calling GetBoundaryPoints() and free'd subsequently.

File:

• molecuilder/src/boundary.hpp (modified) (1 diff)

molecuilder/src/boundary.hpp

@@ -123 +123 @@
 
 double VolumeOfConvexEnvelope(ofstream *out, config *configuration, Boundaries *BoundaryPoints, molecule *mol);
-void PrepareClustersinWater(ofstream *out, config *configuration, molecule *mol, int repetition[NDIM], double celldensity);
+double * GetDiametersOfCluster(ofstream *out, Boundaries *BoundaryPtr, molecule *mol, bool IsAngstroem);
+void PrepareClustersinWater(ofstream *out, config *configuration, molecule *mol, double celldensity);