--- trunk/src/math/ConvexHull.hpp 2007/05/30 18:47:04 1141 +++ 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 1.3 2007-05-30 18:47:04 chuckv Exp $ + * @version $Id: ConvexHull.hpp,v 1.12 2008-10-07 17:12:48 chuckv Exp $ * */ @@ -53,41 +52,70 @@ #define MATH_CONVEXHULL_HPP_ #include "math/Vector3.hpp" +#include "config.h" +#include "math/Hull.hpp" +#include "math/Triangle.hpp" #include #include #include extern "C" { -#include "QuickHull/qhull.h" -#include "QuickHull/mem.h" -#include "QuickHull/qset.h" -#include "QuickHull/geom.h" -#include "QuickHull/merge.h" -#include "QuickHull/poly.h" -#include "QuickHull/io.h" -#include "QuickHull/stat.h" +#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 { + class ConvexHull : public Hull { public: ConvexHull(); - virtual ~ConvexHull() {} - bool genHull(std::vector pos); - //std::vector getHull(); - RealType getVolume(); - //RealType getRadius(); - // RealType getInscribedRadius(); - void geomviewHull(const std::string& geomFileName); + + 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_; - + + private: + std::vector Triangles_; + +#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 + }; }