src/UseTheForce/SHAPES_FF.hpp

 /*
 * Copyright (c) 2005 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).                        
 */
 
 /**
  * @file SHAPES_FF.hpp
  * @author chrisfen
  * @date 4/14/2005
  * @time 9:11am
  * @version 1.0
  */

#ifndef USETHEFORCE_SHAPES_FF_HPP
#define USETHEFORCE_SHAPES_FF_HPP

#include "UseTheForce/ForceField.hpp"
#include "io/SectionParserManager.hpp"
#include "UseTheForce/ForceFieldCreator.hpp"
#include "types/ShapeAtomType.hpp"
#include "io/ForceFieldOptions.hpp"

namespace OpenMD {

/**
 * @class SHAPES_FF SHAPES_FF.hpp "UseTheForce/SHAPES_FF.hpp"
 * @brief SHAPES Force Field Parser
 */
  class SHAPES_FF : public ForceField {
  public:
    SHAPES_FF();

    virtual void parse(const std::string& filename);

  private:
    SectionParserManager spMan_;
    
  };
  
} //end namespace OpenMD
#endif //USETHEFORCE_SHAPES_FF_HPP

Revision:	1505
Committed:	Sun Oct 3 22:18:59 2010 UTC (14 years, 7 months ago) by gezelter
File size:	2857 byte(s)
Log Message:	Less busted than it was on last check-in, but still won't completely build.
#	User	Rev	Content
1	chrisfen	512	/*
2			* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3			*
4			* The University of Notre Dame grants you ("Licensee") a
5			* non-exclusive, royalty free, license to use, modify and
6			* redistribute this software in source and binary code form, provided
7			* that the following conditions are met:
8			*
9	gezelter	1390	* 1. Redistributions of source code must retain the above copyright
10	chrisfen	512	* notice, this list of conditions and the following disclaimer.
11			*
12	gezelter	1390	* 2. Redistributions in binary form must reproduce the above copyright
13	chrisfen	512	* notice, this list of conditions and the following disclaimer in the
14			* documentation and/or other materials provided with the
15			* distribution.
16			*
17			* This software is provided "AS IS," without a warranty of any
18			* kind. All express or implied conditions, representations and
19			* warranties, including any implied warranty of merchantability,
20			* fitness for a particular purpose or non-infringement, are hereby
21			* excluded. The University of Notre Dame and its licensors shall not
22			* be liable for any damages suffered by licensee as a result of
23			* using, modifying or distributing the software or its
24			* derivatives. In no event will the University of Notre Dame or its
25			* licensors be liable for any lost revenue, profit or data, or for
26			* direct, indirect, special, consequential, incidental or punitive
27			* damages, however caused and regardless of the theory of liability,
28			* arising out of the use of or inability to use software, even if the
29			* University of Notre Dame has been advised of the possibility of
30			* such damages.
31	gezelter	1390	*
32			* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
33			* research, please cite the appropriate papers when you publish your
34			* work. Good starting points are:
35			*
36			* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37			* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38			* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39			* [4] Vardeman & Gezelter, in progress (2009).
40	chrisfen	512	*/
41
42			/**
43			* @file SHAPES_FF.hpp
44			* @author chrisfen
45			* @date 4/14/2005
46			* @time 9:11am
47			* @version 1.0
48			*/
49
50			#ifndef USETHEFORCE_SHAPES_FF_HPP
51			#define USETHEFORCE_SHAPES_FF_HPP
52
53			#include "UseTheForce/ForceField.hpp"
54			#include "io/SectionParserManager.hpp"
55			#include "UseTheForce/ForceFieldCreator.hpp"
56			#include "types/ShapeAtomType.hpp"
57	chuckv	801	#include "io/ForceFieldOptions.hpp"
58	chrisfen	512
59	gezelter	1390	namespace OpenMD {
60	chrisfen	512
61			/**
62			* @class SHAPES_FF SHAPES_FF.hpp "UseTheForce/SHAPES_FF.hpp"
63			* @brief SHAPES Force Field Parser
64			*/
65			class SHAPES_FF : public ForceField {
66			public:
67			SHAPES_FF();
68
69			virtual void parse(const std::string& filename);
70
71			private:
72			SectionParserManager spMan_;
73
74			};
75
76	gezelter	1390	} //end namespace OpenMD
77	chrisfen	512	#endif //USETHEFORCE_SHAPES_FF_HPP
78