--- trunk/src/math/ConvexHull.hpp 2008/09/12 20:51:22 1292 +++ trunk/src/math/ConvexHull.hpp 2008/09/14 01:32:26 1293 @@ -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 @@ -44,7 +44,7 @@ * * Created by Charles F. Vardeman II on 11 Dec 2006. * @author Charles F. Vardeman II - * @version $Id: ConvexHull.hpp,v 1.9 2008-07-14 12:35:57 gezelter Exp $ + * @version $Id: ConvexHull.hpp,v 1.10 2008-09-14 01:32:25 chuckv Exp $ * */ @@ -53,6 +53,8 @@ #include "math/Vector3.hpp" #include "config.h" +#include "math/hull.hpp" +#include "math/Triangle.hpp" #include #include @@ -60,36 +62,59 @@ extern "C" extern "C" { #if defined(HAVE_QHULL) -#include -#include -#include -#include -#include -#include -#include -#include +#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< StuntDouble* > 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 + }; }