src/math/Hull.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] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
 * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
 *
 *  Hull.hpp
 *
 *  Purpose: Provide common interface for computing hulls in OpenMD.
 *
 *  Created by Charles F. Vardeman II on 27 July 2008.
 *  @author  Charles F. Vardeman II
 *  @version $Id$
 *
 */

#ifndef MATH_HULL_HPP_
#define MATH_HULL_HPP_

#include "config.h"
#include "math/Vector3.hpp"
#include "math/Triangle.hpp"
#include "primitives/StuntDouble.hpp"

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


namespace OpenMD {
  class Hull {
  public:
    virtual ~Hull(){};
    virtual void computeHull(std::vector<StuntDouble*> bodydoubles)=0;
    virtual RealType getArea()=0; //Total area of Hull
    virtual RealType getVolume()=0; //Total Volume inclosed by Hull
    virtual std::vector<Triangle > getMesh()=0;
    virtual void printHull(const std::string& geomFileName)=0;
  };
}

#endif /*MATH_HULL_HPP_*/
Revision:	1665
Committed:	Tue Nov 22 20:38:56 2011 UTC (13 years, 5 months ago) by gezelter
File size:	3007 byte(s)
Log Message:	updated copyright notices
#	User	Rev	Content
1	chuckv	1374	/* Copyright (c) 2008, 2009 The University of Notre Dame. All Rights Reserved.
2	chuckv	1293	*
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	1293	* 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	1293	* 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	gezelter	1665	* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
39			* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
40	chuckv	1293	*
41			* Hull.hpp
42			*
43	gezelter	1390	* Purpose: Provide common interface for computing hulls in OpenMD.
44	chuckv	1293	*
45			* Created by Charles F. Vardeman II on 27 July 2008.
46			* @author Charles F. Vardeman II
47	gezelter	1442	* @version $Id$
48	chuckv	1293	*
49			*/
50
51			#ifndef MATH_HULL_HPP_
52			#define MATH_HULL_HPP_
53
54			#include "config.h"
55			#include "math/Vector3.hpp"
56			#include "math/Triangle.hpp"
57			#include "primitives/StuntDouble.hpp"
58
59			#include <cassert>
60			#include <vector>
61			#include <string>
62
63
64
65	gezelter	1390	namespace OpenMD {
66	chuckv	1293	class Hull {
67			public:
68			virtual ~Hull(){};
69			virtual void computeHull(std::vector<StuntDouble*> bodydoubles)=0;
70			virtual RealType getArea()=0; //Total area of Hull
71			virtual RealType getVolume()=0; //Total Volume inclosed by Hull
72	chuckv	1308	virtual std::vector<Triangle > getMesh()=0;
73	chuckv	1293	virtual void printHull(const std::string& geomFileName)=0;
74			};
75			}
76
77			#endif /MATH_HULL_HPP_/