Fast Discovery of Voronoi Vertices in the Construction of Voronoi Diagram of 3D Balls

Solving geometrical problems on a set of 3D balls is a challenging task in computational geometry. They can be solved effectively when the Voronoi diagram for the set is available. The diagram is usually constructed by the edge-tracing or similar algorithms based on finding Voronoi vertices along edges. However, its expected quadratic time complexity makes it impractical. This can be improved significantly by our new approach. Whenever a vertex needs to be found, Delaunay triangulation of ball centers is searched through to find one specific ball. The search is kept inside a spatial filter, which can be reduced in size during the search. The improvement is demonstrated on protein data (a set of balls represents atoms in a molecule), because this is our intended application.

[1]  A. Bondi van der Waals Volumes and Radii , 1964 .

[2]  Deok-Soo Kim,et al.  Reduction of the Search Space in the Edge-Tracing Algorithm for the Voronoi Diagram of 3D Balls , 2006, ICCSA.

[3]  Tohru Ogawa,et al.  A new algorithm for three-dimensional voronoi tessellation , 1983 .

[4]  Jirí Sochor,et al.  Computation of Tunnels in Protein Molecules using Delaunay Triangulation , 2007, J. WSCG.

[5]  Marina L. Gavrilova A reliable algorithm for computing the generalized voronoi diagram for a set of spheres in the euclidean d-dimensional space , 2002, CCCG.

[6]  Deok-Soo Kim,et al.  A Single Beta-Complex Solves All Geometry Problems in a Molecule , 2009, 2009 Sixth International Symposium on Voronoi Diagrams.

[7]  Jean-Daniel Boissonnat,et al.  Convex Hull and Voronoi Diagram of Additively Weighted Points , 2005, ESA.

[8]  Dan Halperin,et al.  Approximating the pathway axis and the persistence diagram of a collection of balls in 3-space , 2008, SCG '08.

[9]  Deok-Soo Kim,et al.  Region-expansion for the Voronoi diagram of 3D spheres , 2006, Comput. Aided Des..

[10]  Deok-Soo Kim,et al.  Euclidean Voronoi diagram of 3D balls and its computation via tracing edges , 2005, Comput. Aided Des..

[11]  Marina L. Gavrilova,et al.  An algorithm for three‐dimensional Voronoi S‐network , 2006, J. Comput. Chem..

[12]  Deok-Soo Kim,et al.  Quasi-triangulation and interworld data structure in three dimensions , 2006, Comput. Aided Des..

[13]  Deok-Soo Kim,et al.  Euclidean Voronoi Diagrams of 3D Spheres: Their Construction and Related Problems from Biochemistry , 2005, IMA Conference on the Mathematics of Surfaces.