ConvexHull.hpp

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 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the appropriate papers when you publish your
 * work.  Good starting points are:
 *
 * [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, 234107 (2008).
 * [4] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 * [5] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
 * [6] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
 * [7] Lamichhane, Newman & Gezelter, J. Chem. Phys. 141, 134110 (2014).
 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
 */
 
#ifndef MATH_CONVEXHULL_HPP_
#define MATH_CONVEXHULL_HPP_
 
#include <config.h>
 
#include <cassert>
#include <string>
#include <vector>
 
#include "math/Hull.hpp"
#include "math/Triangle.hpp"
#include "math/Vector3.hpp"
 
namespace OpenMD {
  class ConvexHull : public Hull {
  public:
    ConvexHull();
    virtual ~ConvexHull() {};
 
    void computeHull(std::vector<StuntDouble*> bodydoubles);
 
    /* Total area of Hull*/
    RealType getArea() { return area_; }
 
    /* Total Volume enclosed by Hull */
    RealType getVolume() { return volume_; }
 
    std::vector<Triangle> getMesh() { return Triangles_; }
 
  protected:
    const std::string options_;
    int dim_;
 
  private:
    // These variables are private so that each new hull returns
    // information about itself.
    RealType volume_;
    RealType area_;
    std::vector<Triangle> Triangles_;
  };
}  // namespace OpenMD
 
#endif /*MATH_CONVEXHULL_HPP_*/