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/* Copyright (c) 2006 The University of Notre Dame. All Rights Reserved. |
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/* Copyright (c) 2008 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* non-exclusive, royalty free, license to use, modify and |
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* |
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* ConvexHull.hpp |
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* |
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* Purpose: To calculate convexhull, hull volume and radius |
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* using the CGAL library. |
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* Purpose: To calculate convexhull, hull volume using the QuickHull algorithm provided by QHull. |
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* |
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* Created by Charles F. Vardeman II on 11 Dec 2006. |
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* @author Charles F. Vardeman II |
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* @version $Id: ConvexHull.hpp,v 1.2 2007-05-29 22:50:14 chuckv Exp $ |
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* @version $Id: ConvexHull.hpp,v 1.13 2008-10-15 18:26:01 chuckv Exp $ |
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* |
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*/ |
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#define MATH_CONVEXHULL_HPP_ |
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#include "math/Vector3.hpp" |
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#include "config.h" |
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#include "math/Hull.hpp" |
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#include "math/Triangle.hpp" |
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#include <cassert> |
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#include <vector> |
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#include <string> |
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extern "C" |
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{ |
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#if defined(HAVE_QHULL) |
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#include <qhull/qhull.h> |
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#include <qhull/mem.h> |
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#include <qhull/qset.h> |
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#include <qhull/poly.h> |
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#include <qhull/io.h> |
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#include <qhull/stat.h> |
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#endif |
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} |
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#ifdef IS_MPI |
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#include <mpi.h> |
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#endif |
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namespace oopse { |
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class ConvexHull : public Hull { |
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public: |
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ConvexHull(); |
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namespace oopse |
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{ |
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virtual ~ConvexHull(){}; |
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void computeHull(std::vector<StuntDouble*> bodydoubles); |
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RealType getArea(){return area_;} //Total area of Hull |
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int getNs(){return Ns_;} //Number of Surface Atoms |
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RealType getVolume(){return volume_;} //Total Volume inclosed by Hull |
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std::vector< StuntDouble* > getSurfaceAtoms(){return surfaceSDs_;} //Returns a list of surface atoms |
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std::vector<Triangle* > getMesh(){return Triangles_;} |
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void printHull(const std::string& geomFileName); |
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protected: |
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double volume_; |
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double area_; |
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int dim_; |
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int Ns_; |
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std::vector<StuntDouble*> surfaceSDs_; |
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const std::string options_; |
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class ConvexHull |
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{ |
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public: |
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ConvexHull(); |
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~ConvexHull(); |
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bool genHull(std::vector<Vector3d> pos); |
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std::vector<Vector3d> getHull(); |
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RealType getVolume(); |
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RealType getRadius(); |
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RealType getInscribedRadius(); |
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void geomviewHull(const std::string& geomFileName); |
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private: |
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double volume_; |
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std::vector<Triangle*> Triangles_; |
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} |
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; |
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#ifdef IS_MPI |
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int* NstoProc_; |
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int* displs_; |
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int Nsglobal_; |
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int nproc_; |
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int myrank_; |
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struct surfacePt_{ |
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double x,y,z; |
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}; |
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MPI::Datatype surfacePtType; |
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std::vector<surfacePt_> surfacePtsLocal_; |
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std::vector<surfacePt_> surfacePtsGlobal_; |
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#endif |
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}; |
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} |
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#endif /*MATH_CONVEXHULL_HPP_*/ |
