| 44 | 
  | 
 * | 
| 45 | 
  | 
 *  Created by Charles F. Vardeman II on 11 Dec 2006. | 
| 46 | 
  | 
 *  @author  Charles F. Vardeman II | 
| 47 | 
< | 
 *  @version $Id: ConvexHull.hpp,v 1.12 2008-10-07 17:12:48 chuckv Exp $ | 
| 47 | 
> | 
 *  @version $Id: ConvexHull.hpp,v 1.16 2008-11-14 15:44:34 chuckv Exp $ | 
| 48 | 
  | 
 * | 
| 49 | 
  | 
 */ | 
| 50 | 
  | 
 | 
| 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 | 
| 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_;} | 
| 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 | 
  | 
 | 
| 103 | 
  | 
    private: | 
| 104 | 
< | 
    std::vector<Triangle*> Triangles_; | 
| 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_; |