| 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 |
| 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 1.15 2008-10-21 16:44:00 chuckv Exp $ |
| 48 |
|
* |
| 49 |
|
*/ |
| 50 |
|
|
| 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> |
| 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 |
> |
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 |
|
|
| 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); |
| 103 |
|
private: |
| 104 |
< |
|
| 91 |
< |
double volume_; |
| 104 |
> |
std::vector<Triangle> Triangles_; |
| 105 |
|
|
| 106 |
< |
} |
| 107 |
< |
; |
| 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 |
|
|
| 99 |
– |
|
| 124 |
|
#endif /*MATH_CONVEXHULL_HPP_*/ |
