--- trunk/src/math/ConvexHull.hpp 2006/12/14 19:32:32 1097 +++ trunk/src/math/ConvexHull.hpp 2008/10/07 17:12:48 1302 @@ -1,4 +1,4 @@ -/* Copyright (c) 2006 The University of Notre Dame. All Rights Reserved. +/* Copyright (c) 2008 The University of Notre Dame. All Rights Reserved. * * The University of Notre Dame grants you ("Licensee") a * non-exclusive, royalty free, license to use, modify and @@ -40,12 +40,11 @@ * * ConvexHull.hpp * - * Purpose: To calculate convexhull, hull volume and radius - * using the CGAL library. + * Purpose: To calculate convexhull, hull volume using the QuickHull algorithm provided by QHull. * * Created by Charles F. Vardeman II on 11 Dec 2006. * @author Charles F. Vardeman II - * @version $Id: ConvexHull.hpp,v 1.1 2006-12-14 19:32:32 chuckv Exp $ + * @version $Id: ConvexHull.hpp,v 1.12 2008-10-07 17:12:48 chuckv Exp $ * */ @@ -53,54 +52,71 @@ #define MATH_CONVEXHULL_HPP_ #include "math/Vector3.hpp" -#include -#include -#include +#include "config.h" +#include "math/Hull.hpp" +#include "math/Triangle.hpp" -#include -#include -#include -#include #include #include +#include +extern "C" +{ +#if defined(HAVE_QHULL) +#include "qhull/qhull.h" +#include "qhull/mem.h" +#include "qhull/qset.h" +#include "qhull/geom.h" +#include "qhull/merge.h" +#include "qhull/poly.h" +#include "qhull/io.h" +#include "qhull/stat.h" +#endif +} +#ifdef IS_MPI +#include +#endif +namespace oopse { + class ConvexHull : public Hull { + public: + ConvexHull(); -typedef CGAL::MP_Float RT; -typedef CGAL::Homogeneous K; -typedef CGAL::Convex_hull_traits_3 Traits; -typedef Traits::Polyhedron_3 Polyhedron_3; -typedef K::Point_3 Point_3; -typedef K::Segment_3 Segment_3; -typedef Polyhedron_3::Facet_iterator Facet_iterator; -typedef Polyhedron_3::Halfedge_around_facet_circulator Halfedge_facet_circulator; + virtual ~ConvexHull(){}; + void computeHull(std::vector bodydoubles); + RealType getArea(){return area_;} //Total area of Hull + int getNs(){return Ns_;} //Number of Surface Atoms + RealType getVolume(){return volume_;} //Total Volume inclosed by Hull + std::vector< StuntDouble* > getSurfaceAtoms(){return surfaceSDs_;} //Returns a list of surface atoms + std::vector getMesh(){return Triangles_;} + void printHull(const std::string& geomFileName); + protected: + double volume_; + double area_; + int dim_; + int Ns_; + std::vector surfaceSDs_; + const std::string options_; - -namespace oopse - { - - class ConvexHull - { - - public: - ConvexHull(); - ~ConvexHull(); - bool genHull(std::vector pos); - std::vector getHull(); - RealType getVolume(); - RealType getRadius(); - RealType getInscribedRadius(); - void geomviewHull(const std::string& geomFileName); private: + std::vector Triangles_; - CGAL::Object ch_object; - Polyhedron_3 ch_polyhedron; +#ifdef IS_MPI + int* NstoProc_; + int* displs_; + int Nsglobal_; + int nproc_; + int myrank_; + struct surfacePt_{ + double x,y,z; + }; - } - ; + MPI::Datatype surfacePtType; + std::vector surfacePtsLocal_; + std::vector surfacePtsGlobal_; +#endif - + }; } - #endif /*MATH_CONVEXHULL_HPP_*/