--- trunk/src/math/AlphaHull.hpp 2012/08/22 02:28:28 1782 +++ trunk/src/math/AlphaHull.hpp 2013/06/16 15:15:42 1879 @@ -34,7 +34,7 @@ * * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). - * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * * @@ -60,34 +60,35 @@ #include #include - +using namespace std; namespace OpenMD { class AlphaHull : public Hull { public: - - AlphaHull(double alpha); + + AlphaHull(RealType alpha); virtual ~AlphaHull(){}; - - void computeHull( std::vector bodydoubles ); - + + void computeHull( vector bodydoubles ); + /* Total area of Hull*/ - RealType getArea(){return area_;} - + RealType getArea(){ return area_; } + /* Total Volume enclosed by Hull */ RealType getVolume(){ return volume_; } - - std::vector getMesh(){return Triangles_;} + + vector getMesh(){ return Triangles_; } void printHull(const std::string& geomFileName); - + protected: RealType volume_; RealType area_; + Mat3x3d boundingBox_; int dim_; - double alpha_; + RealType alpha_; const std::string options_; private: - std::vector Triangles_; + vector Triangles_; }; } -#endif /*MATH_CONVEXHULL_HPP_*/ +#endif