--- trunk/src/math/ConvexHull.hpp	2006/12/14 19:32:32	1097
+++ trunk/src/math/ConvexHull.hpp	2009/11/25 20:02:06	1390
@@ -1,23 +1,14 @@
-/* Copyright (c) 2006 The University of Notre Dame. All Rights Reserved.
+/* Copyright (c) 2008, 2009 The University of Notre Dame. All Rights Reserved.
  *
  * The University of Notre Dame grants you ("Licensee") a
  * non-exclusive, royalty free, license to use, modify and
  * redistribute this software in source and binary code form, provided
  * that the following conditions are met:
  *
- * 1. Acknowledgement of the program authors must be made in any
- *    publication of scientific results based in part on use of the
- *    program.  An acceptable form of acknowledgement is citation of
- *    the article in which the program was described (Matthew
- *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
- *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
- *    Parallel Simulation Engine for Molecular Dynamics,"
- *    J. Comput. Chem. 26, pp. 252-271 (2005))
- *
- * 2. Redistributions of source code must retain the above copyright
+ * 1. Redistributions of source code must retain the above copyright
  *    notice, this list of conditions and the following disclaimer.
  *
- * 3. Redistributions in binary form must reproduce the above copyright
+ * 2. Redistributions in binary form must reproduce the above copyright
  *    notice, this list of conditions and the following disclaimer in the
  *    documentation and/or other materials provided with the
  *    distribution.
@@ -37,15 +28,23 @@
  * University of Notre Dame has been advised of the possibility of
  * such damages.
  *
+ * 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, 24107 (2008).          
+ * [4]  Vardeman & Gezelter, in progress (2009).                        
  *
+ *
  *  ConvexHull.hpp
  *
- *  Purpose: To calculate convexhull, hull volume and radius
- *  using the CGAL library.
+ *  Purpose: To calculate convexhull, hull volume using the QuickHull algorithm provided by QHull.
  *
  *  Created by Charles F. Vardeman II on 11 Dec 2006.
  *  @author  Charles F. Vardeman II
- *  @version $Id: ConvexHull.hpp,v 1.1 2006-12-14 19:32:32 chuckv Exp $
+ *  @version $Id: ConvexHull.hpp,v 1.19 2009-11-25 20:02:01 gezelter Exp $
  *
  */
 
@@ -53,54 +52,41 @@
 #define MATH_CONVEXHULL_HPP_
 
 #include "math/Vector3.hpp"
-#include <CGAL/Homogeneous.h>
-#include <CGAL/Convex_hull_traits_3.h>
-#include <CGAL/Convex_hull_3.h>
+#include "config.h"
+#include "math/Hull.hpp"
+#include "math/Triangle.hpp"
 
-#include <CGAL/Polyhedron_3.h>
-#include <CGAL/copy_n.h>
-#include <CGAL/IO/Geomview_stream.h>
-#include <CGAL/IO/Polyhedron_geomview_ostream.h>
 #include <cassert>
 #include <vector>
+#include <string>
 
 
+namespace OpenMD {
+  class ConvexHull : public Hull {
+  public:
 
-typedef CGAL::MP_Float RT;
-typedef CGAL::Homogeneous<RT>                     K;
-typedef CGAL::Convex_hull_traits_3<K>             Traits;
-typedef Traits::Polyhedron_3                      Polyhedron_3;
-typedef K::Point_3                                Point_3;
-typedef K::Segment_3                              Segment_3;
-typedef Polyhedron_3::Facet_iterator                   Facet_iterator;
-typedef Polyhedron_3::Halfedge_around_facet_circulator Halfedge_facet_circulator;
+    ConvexHull();    
+    virtual ~ConvexHull(){};
 
+    void computeHull( std::vector<StuntDouble*> bodydoubles );
 
-namespace oopse
-  {
+    /* Total area of Hull*/
+    RealType getArea(){return area_;}
 
-  class ConvexHull
-    {
+    /* Total Volume enclosed by Hull */
+    RealType getVolume(){ return volume_; } 
 
-    public:
-      ConvexHull();
-      ~ConvexHull();
-      bool genHull(std::vector<Vector3d> pos);
-      std::vector<Vector3d> getHull();
-      RealType getVolume();
-      RealType getRadius();
-      RealType getInscribedRadius();
-      void geomviewHull(const std::string& geomFileName);
-    private:
+    std::vector<Triangle> getMesh(){return Triangles_;}
+    void printHull(const std::string& geomFileName);
 
-      CGAL::Object  ch_object;
-      Polyhedron_3  ch_polyhedron;
-
-    }
-  ;
-
-
+  protected:
+    RealType volume_;
+    RealType area_;
+    int dim_;
+    const std::string options_;
+    
+  private:
+    std::vector<Triangle> Triangles_;
+  };
 }
-
-
 #endif /*MATH_CONVEXHULL_HPP_*/