| 1 | < | /* Copyright (c) 2006 The University of Notre Dame. All Rights Reserved. | 
| 1 | > | /* Copyright (c) 2008 The University of Notre Dame. All Rights Reserved. | 
| 2 |  | * | 
| 3 |  | * The University of Notre Dame grants you ("Licensee") a | 
| 4 |  | * non-exclusive, royalty free, license to use, modify and | 
| 44 |  | * | 
| 45 |  | *  Created by Charles F. Vardeman II on 11 Dec 2006. | 
| 46 |  | *  @author  Charles F. Vardeman II | 
| 47 | < | *  @version $Id: ConvexHull.hpp,v 1.8 2008-05-14 14:31:48 chuckv Exp $ | 
| 47 | > | *  @version $Id: ConvexHull.hpp,v 1.16 2008-11-14 15:44:34 chuckv Exp $ | 
| 48 |  | * | 
| 49 |  | */ | 
| 50 |  |  | 
| 53 |  |  | 
| 54 |  | #include "math/Vector3.hpp" | 
| 55 |  | #include "config.h" | 
| 56 | + | #include "math/Hull.hpp" | 
| 57 | + | #include "math/Triangle.hpp" | 
| 58 |  |  | 
| 59 |  | #include <cassert> | 
| 60 |  | #include <vector> | 
| 62 |  | extern "C" | 
| 63 |  | { | 
| 64 |  | #if defined(HAVE_QHULL) | 
| 65 | < | #include "qhull/qhull.h" | 
| 66 | < | #include "qhull/mem.h" | 
| 67 | < | #include "qhull/qset.h" | 
| 68 | < | #include "qhull/geom.h" | 
| 69 | < | #include "qhull/merge.h" | 
| 70 | < | #include "qhull/poly.h" | 
| 71 | < | #include "qhull/io.h" | 
| 72 | < | #include "qhull/stat.h" | 
| 65 | > | #include <qhull/qhull.h> | 
| 66 | > | #include <qhull/mem.h> | 
| 67 | > | #include <qhull/qset.h> | 
| 68 | > | #include <qhull/geom.h> | 
| 69 | > | #include <qhull/merge.h> | 
| 70 | > | #include <qhull/poly.h> | 
| 71 | > | #include <qhull/io.h> | 
| 72 | > | #include <qhull/stat.h> | 
| 73 |  | #endif | 
| 74 |  | } | 
| 75 | + | #ifdef IS_MPI | 
| 76 | + | #include <mpi.h> | 
| 77 | + | #endif | 
| 78 |  |  | 
| 79 |  |  | 
| 75 | – |  | 
| 80 |  | namespace oopse { | 
| 81 | < | class ConvexHull { | 
| 81 | > | class ConvexHull : public Hull { | 
| 82 |  | public: | 
| 83 |  | ConvexHull(); | 
| 84 | < | virtual ~ConvexHull() {} | 
| 85 | < | bool genHull(std::vector<Vector3d> pos); | 
| 86 | < | //std::vector<Vector3d> getHull(); | 
| 87 | < | RealType getVolume(); | 
| 88 | < | //RealType getRadius(); | 
| 89 | < | // RealType getInscribedRadius(); | 
| 90 | < | void geomviewHull(const std::string& geomFileName); | 
| 84 | > |  | 
| 85 | > | virtual ~ConvexHull(){}; | 
| 86 | > | void computeHull(std::vector<StuntDouble*> bodydoubles); | 
| 87 | > | RealType getArea(){return area_;} //Total area of Hull | 
| 88 | > | int getNs(){return Ns_;}  //Number of Surface Atoms | 
| 89 | > | RealType getVolume(){return volume_;} //Total Volume inclosed by Hull | 
| 90 | > | std::vector< StuntDouble* > getSurfaceAtoms(){return surfaceSDs_;} //Returns a list of surface atoms | 
| 91 | > | std::vector<Triangle> getMesh(){return Triangles_;} | 
| 92 | > | int getNMeshElements() {return nTriangles_;} | 
| 93 | > | void printHull(const std::string& geomFileName); | 
| 94 |  | protected: | 
| 95 |  | double volume_; | 
| 96 |  | double area_; | 
| 97 |  | int dim_; | 
| 98 | + | int Ns_; | 
| 99 | + | int nTriangles_; | 
| 100 | + | std::vector<StuntDouble*> surfaceSDs_; | 
| 101 |  | const std::string options_; | 
| 102 | < |  | 
| 102 | > |  | 
| 103 | > | private: | 
| 104 | > | std::vector<Triangle> Triangles_; | 
| 105 | > |  | 
| 106 | > | #ifdef IS_MPI | 
| 107 | > | int* NstoProc_; | 
| 108 | > | int* displs_; | 
| 109 | > | int* vecdispls_; | 
| 110 | > | int Nsglobal_; | 
| 111 | > | int nproc_; | 
| 112 | > | int myrank_; | 
| 113 | > | struct surfacePt_{ | 
| 114 | > | double x,y,z; | 
| 115 | > | }; | 
| 116 | > |  | 
| 117 | > | MPI::Datatype surfacePtType; | 
| 118 | > | std::vector<surfacePt_> surfacePtsLocal_; | 
| 119 | > | std::vector<surfacePt_> surfacePtsGlobal_; | 
| 120 | > | #endif | 
| 121 | > |  | 
| 122 |  | }; | 
| 123 |  | } | 
| 124 |  |  |