src/math/ConvexHull.hpp

/* 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. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 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.
 *
 * This software is provided "AS IS," without a warranty of any
 * kind. All express or implied conditions, representations and
 * warranties, including any implied warranty of merchantability,
 * fitness for a particular purpose or non-infringement, are hereby
 * excluded.  The University of Notre Dame and its licensors shall not
 * be liable for any damages suffered by licensee as a result of
 * using, modifying or distributing the software or its
 * derivatives. In no event will the University of Notre Dame or its
 * licensors be liable for any lost revenue, profit or data, or for
 * direct, indirect, special, consequential, incidental or punitive
 * damages, however caused and regardless of the theory of liability,
 * arising out of the use of or inability to use software, even if the
 * 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 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 1.19 2009-11-25 20:02:01 gezelter Exp $
 *
 */

#ifndef MATH_CONVEXHULL_HPP_
#define MATH_CONVEXHULL_HPP_

#include "math/Vector3.hpp"
#include "config.h"
#include "math/Hull.hpp"
#include "math/Triangle.hpp"

#include <cassert>
#include <vector>
#include <string>


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_;}
    void printHull(const std::string& geomFileName);

  protected:
    RealType volume_;
    RealType area_;
    int dim_;
    const std::string options_;
    
  private:
    std::vector<Triangle> Triangles_;
  };
}
#endif /*MATH_CONVEXHULL_HPP_*/
Revision:	1390
Committed:	Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
File size:	3274 byte(s)
Log Message:	Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4)
#	User	Rev	Content
1	chuckv	1374	/* Copyright (c) 2008, 2009 The University of Notre Dame. All Rights Reserved.
2	chuckv	1097	*
3			* The University of Notre Dame grants you ("Licensee") a
4			* non-exclusive, royalty free, license to use, modify and
5			* redistribute this software in source and binary code form, provided
6			* that the following conditions are met:
7			*
8	gezelter	1390	* 1. Redistributions of source code must retain the above copyright
9	chuckv	1097	* notice, this list of conditions and the following disclaimer.
10			*
11	gezelter	1390	* 2. Redistributions in binary form must reproduce the above copyright
12	chuckv	1097	* notice, this list of conditions and the following disclaimer in the
13			* documentation and/or other materials provided with the
14			* distribution.
15			*
16			* This software is provided "AS IS," without a warranty of any
17			* kind. All express or implied conditions, representations and
18			* warranties, including any implied warranty of merchantability,
19			* fitness for a particular purpose or non-infringement, are hereby
20			* excluded. The University of Notre Dame and its licensors shall not
21			* be liable for any damages suffered by licensee as a result of
22			* using, modifying or distributing the software or its
23			* derivatives. In no event will the University of Notre Dame or its
24			* licensors be liable for any lost revenue, profit or data, or for
25			* direct, indirect, special, consequential, incidental or punitive
26			* damages, however caused and regardless of the theory of liability,
27			* arising out of the use of or inability to use software, even if the
28			* University of Notre Dame has been advised of the possibility of
29			* such damages.
30			*
31	gezelter	1390	* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
32			* research, please cite the appropriate papers when you publish your
33			* work. Good starting points are:
34			*
35			* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
36			* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
37			* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
38			* [4] Vardeman & Gezelter, in progress (2009).
39	chuckv	1097	*
40	gezelter	1390	*
41	chuckv	1097	* ConvexHull.hpp
42			*
43	chuckv	1188	* Purpose: To calculate convexhull, hull volume using the QuickHull algorithm provided by QHull.
44	chuckv	1097	*
45			* Created by Charles F. Vardeman II on 11 Dec 2006.
46			* @author Charles F. Vardeman II
47	gezelter	1390	* @version $Id: ConvexHull.hpp,v 1.19 2009-11-25 20:02:01 gezelter Exp $
48	chuckv	1097	*
49			*/
50
51			#ifndef MATH_CONVEXHULL_HPP_
52			#define MATH_CONVEXHULL_HPP_
53
54			#include "math/Vector3.hpp"
55	chuckv	1188	#include "config.h"
56	chuckv	1295	#include "math/Hull.hpp"
57	chuckv	1293	#include "math/Triangle.hpp"
58	chuckv	1097
59			#include <cassert>
60			#include <vector>
61	chuckv	1137	#include <string>
62	chuckv	1097
63
64	gezelter	1390	namespace OpenMD {
65	chuckv	1293	class ConvexHull : public Hull {
66	chuckv	1141	public:
67	chuckv	1293
68	chuckv	1374	ConvexHull();
69	chuckv	1293	virtual ~ConvexHull(){};
70	chuckv	1374
71			void computeHull( std::vector<StuntDouble*> bodydoubles );
72
73			/* Total area of Hull*/
74			RealType getArea(){return area_;}
75
76			/* Total Volume enclosed by Hull */
77			RealType getVolume(){ return volume_; }
78
79	chuckv	1308	std::vector<Triangle> getMesh(){return Triangles_;}
80	chuckv	1293	void printHull(const std::string& geomFileName);
81	chuckv	1374
82	chuckv	1141	protected:
83	chuckv	1374	RealType volume_;
84			RealType area_;
85	chuckv	1141	int dim_;
86			const std::string options_;
87	chuckv	1374
88			private:
89	chuckv	1308	std::vector<Triangle> Triangles_;
90	chuckv	1141	};
91	chuckv	1097	}
92			#endif /MATH_CONVEXHULL_HPP_/