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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 | |
# | Line 44 | Line 44 | |
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 1.14 2008-10-20 19:36:32 chuckv Exp $ |
48 | * | |
49 | */ | |
50 | ||
# | Line 53 | Line 53 | |
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> | |
# | Line 60 | Line 62 | extern "C" | |
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 Nsglobal_; |
110 | > | int nproc_; |
111 | > | int myrank_; |
112 | > | struct surfacePt_{ |
113 | > | double x,y,z; |
114 | > | }; |
115 | > | |
116 | > | MPI::Datatype surfacePtType; |
117 | > | std::vector<surfacePt_> surfacePtsLocal_; |
118 | > | std::vector<surfacePt_> surfacePtsGlobal_; |
119 | > | #endif |
120 | > | |
121 | }; | |
122 | } | |
123 |
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