# | Line 1 | Line 1 | |
---|---|---|
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 40 | Line 40 | |
40 | * | |
41 | * ConvexHull.hpp | |
42 | * | |
43 | < | * Purpose: To calculate convexhull, hull volume and radius |
44 | < | * using the CGAL library. |
43 | > | * Purpose: To calculate convexhull, hull volume using the QuickHull algorithm provided by QHull. |
44 | * | |
45 | * Created by Charles F. Vardeman II on 11 Dec 2006. | |
46 | * @author Charles F. Vardeman II | |
47 | < | * @version $Id: ConvexHull.hpp,v 1.2 2007-05-29 22:50:14 chuckv Exp $ |
47 | > | * @version $Id: ConvexHull.hpp,v 1.13 2008-10-15 18:26:01 chuckv Exp $ |
48 | * | |
49 | */ | |
50 | ||
# | Line 53 | Line 52 | |
52 | #define MATH_CONVEXHULL_HPP_ | |
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> | |
61 | #include <string> | |
62 | extern "C" | |
63 | { | |
64 | + | #if defined(HAVE_QHULL) |
65 | #include <qhull/qhull.h> | |
66 | #include <qhull/mem.h> | |
67 | #include <qhull/qset.h> | |
# | Line 67 | Line 70 | extern "C" | |
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 | ||
80 | + | namespace oopse { |
81 | + | class ConvexHull : public Hull { |
82 | + | public: |
83 | + | ConvexHull(); |
84 | ||
85 | < | namespace oopse |
86 | < | { |
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 | > | void printHull(const std::string& geomFileName); |
93 | > | protected: |
94 | > | double volume_; |
95 | > | double area_; |
96 | > | int dim_; |
97 | > | int Ns_; |
98 | > | std::vector<StuntDouble*> surfaceSDs_; |
99 | > | const std::string options_; |
100 | ||
77 | – | class ConvexHull |
78 | – | { |
79 | – | |
80 | – | public: |
81 | – | ConvexHull(); |
82 | – | ~ConvexHull(); |
83 | – | bool genHull(std::vector<Vector3d> pos); |
84 | – | std::vector<Vector3d> getHull(); |
85 | – | RealType getVolume(); |
86 | – | RealType getRadius(); |
87 | – | RealType getInscribedRadius(); |
88 | – | void geomviewHull(const std::string& geomFileName); |
101 | private: | |
102 | < | |
91 | < | double volume_; |
102 | > | std::vector<Triangle*> Triangles_; |
103 | ||
104 | < | } |
105 | < | ; |
104 | > | #ifdef IS_MPI |
105 | > | int* NstoProc_; |
106 | > | int* displs_; |
107 | > | int Nsglobal_; |
108 | > | int nproc_; |
109 | > | int myrank_; |
110 | > | struct surfacePt_{ |
111 | > | double x,y,z; |
112 | > | }; |
113 | ||
114 | + | MPI::Datatype surfacePtType; |
115 | + | std::vector<surfacePt_> surfacePtsLocal_; |
116 | + | std::vector<surfacePt_> surfacePtsGlobal_; |
117 | + | #endif |
118 | ||
119 | + | }; |
120 | } | |
121 | ||
99 | – | |
122 | #endif /*MATH_CONVEXHULL_HPP_*/ |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |