BULL! - The Molecular Geometry Engine Based on Voronoi Diagram, Quasi-Triangulation, and Beta-Complex

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• 作者：Deok-Soo Kim (17) (18)
  Youngsong Cho (18)
  Jae-Kwan Kim (18)
  Joonghyun Ryu (18)
  Mokwon Lee (17)
  Jehyun Cha (17)
  Chanyoung Song (17)
  
• 关键词：application program interface ; engine ; molecular structure ; computational geometry ; geometric modeling ; C++
• 刊名：Lecture Notes in Computer Science
• 出版年：2014
• 出版时间：2014
• 年：2014
• 卷：8592
• 期：1
• 页码：206-213
• 全文大小：239 KB
• 参考文献：1. Voronoi Diagram Research Center, http://voronoi.hanyang.ac.kr/
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  4. Cho, Y., Kim, D., Kim, D.S.: Topology representation for the Voronoi diagram of 3D spheres. International Journal of CAD/CAM?5(1), 59-8 (2005), http://www.ijcc.org
  5. Edelsbrunner, H., Mücke, E.P.: Three-dimensional alpha shapes. ACM Transactions on Graphics?13(1), 43-2 (1994) CrossRef
  6. Kim, D.S., Cho, Y., Kim, D.: Euclidean Voronoi diagram of 3D balls and its computation via tracing edges. Computer-Aided Design?37(13), 1412-424 (2005) CrossRef
  7. Kim, D.S., Cho, Y., Sugihara, K.: Quasi-worlds and quasi-operators on quasi-triangulations. Computer-Aided Design?42(10), 874-88 (2010) CrossRef
  8. Kim, D.S., Cho, Y., Sugihara, K., Ryu, J., Kim, D.: Three-dimensional beta-shapes and beta-complexes via quasi-triangulation. Computer-Aided Design?42(10), 911-29 (2010) CrossRef
  9. Kim, D.S., Kim, D., Cho, Y., Sugihara, K.: Quasi-triangulation and interworld data structure in three dimensions. Computer-Aided Design?38(7), 808-19 (2006) CrossRef
  10. Kim, D.S., Kim, J.K., Cho, Y., Kim, C.M.: Querying simplexes in quasi-triangulation. Computer-Aided Design?44(2), 85-8 (2012) CrossRef
  11. Kim, D., Kim, D.S.: Region-expansion for the Voronoi diagram of 3D spheres. Computer-Aided Design?38(5), 417-30 (2006) CrossRef
  12. Kim, J.K., Cho, Y., Kim, D., Kim, D.S.: Voronoi diagrams, quasi-triangulations, and beta-complexes for disks in ?sup class="a-plus-plus">2: The theory and implementation in BetaConcept. Journal of Computational Design and Engineering?1(2), 78-6 (2014)
  13. Okabe, A., Boots, B., Sugihara, K., Chiu, S.N.: Spatial Tessellations: Concepts and Applications of Voronoi Diagrams, 2nd edn. John Wiley & Sons, Chichester (1999)
  
• 作者单位：Deok-Soo Kim (17) (18)
  Youngsong Cho (18)
  Jae-Kwan Kim (18)
  Joonghyun Ryu (18)
  Mokwon Lee (17)
  Jehyun Cha (17)
  Chanyoung Song (17)
  
  17. Department of Mechanical Engineering, Hanyang University, Seoul, Korea
  18. Voronoi Diagram Research Center, Hanyang University, Seoul, Korea
  
• ISSN：1611-3349

文摘

Libraries are available for the power diagram and the ordinary Voronoi diagram of points upon which application programs can be easily built. However, its counterpart for the Voronoi diagram of spheres does not exist despite of enormous applications, particularly those in molecular worlds. In this paper, we present the BULL! library which abbreviates “Beta Universe Library Liberandam!-for computing the Voronoi diagram of spheres, transforming it to the quasi-triangulation, and extracting the beta-complex. Being an engine library implemented in the standard C++, application programmers can simply call API-functions of BULL! to build application programs correctly, efficiently, and easily. The BULL! engine is designed so that the application programs developed by embedding API-functions are completely independent of the future modifications of the engine.