src/UseTheForce/SC_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. 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
 *    notice, this list of conditions and the following disclaimer.
 *
 * 3. 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.
 *
 *
 *  SC_FF.hpp
 *  OOPSE-2.0
 *
 *  Created by Charles F. Vardeman II on 11/9/05.
 *  @author  Charles F. Vardeman II 
 *  @version $Id: SC_FF.hpp,v 1.2 2005-12-06 19:26:37 chuckv Exp $
 *
 */
#ifndef USETHEFORCE_SC_FF_HPP
#define USETHEFORCE_SC_FF_HPP

#include "UseTheForce/ForceField.hpp"
#include "io/SectionParserManager.hpp"
#include "UseTheForce/ForceFieldCreator.hpp"
#include "io/ForceFieldOptions.hpp"
namespace oopse {
  
  /**
  * @class SC_FF SC_FF.hpp "UseTheForce/SC_FF.hpp"
   * @brief Sutton-Chen Force Field Parser
   */
  class SC_FF : public ForceField {
public:
    SC_FF();
    virtual void parse(const std::string& filename);

    ~SC_FF();
private:
      SectionParserManager spMan_;
    ForceFieldOptions SCForceFieldOptions_;
  };
  
} //end namespace oopse
#endif //USETHEFORCE_SC_FF_HPP


Revision:	793
Committed:	Tue Dec 6 19:26:37 2005 UTC (19 years, 10 months ago) by chuckv
File size:	2894 byte(s)
Log Message:	Changes to SC.
#	User	Rev	Content
1	chuckv	728	/*
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			* 1. Acknowledgement of the program authors must be made in any
10			* publication of scientific results based in part on use of the
11			* program. An acceptable form of acknowledgement is citation of
12			* the article in which the program was described (Matthew
13			* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14			* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15			* Parallel Simulation Engine for Molecular Dynamics,"
16			* J. Comput. Chem. 26, pp. 252-271 (2005))
17			*
18			* 2. Redistributions of source code must retain the above copyright
19			* notice, this list of conditions and the following disclaimer.
20			*
21			* 3. Redistributions in binary form must reproduce the above copyright
22			* notice, this list of conditions and the following disclaimer in the
23			* documentation and/or other materials provided with the
24			* distribution.
25			*
26			* This software is provided "AS IS," without a warranty of any
27			* kind. All express or implied conditions, representations and
28			* warranties, including any implied warranty of merchantability,
29			* fitness for a particular purpose or non-infringement, are hereby
30			* excluded. The University of Notre Dame and its licensors shall not
31			* be liable for any damages suffered by licensee as a result of
32			* using, modifying or distributing the software or its
33			* derivatives. In no event will the University of Notre Dame or its
34			* licensors be liable for any lost revenue, profit or data, or for
35			* direct, indirect, special, consequential, incidental or punitive
36			* damages, however caused and regardless of the theory of liability,
37			* arising out of the use of or inability to use software, even if the
38			* University of Notre Dame has been advised of the possibility of
39			* such damages.
40			*
41			*
42			* SC_FF.hpp
43			* OOPSE-2.0
44			*
45			* Created by Charles F. Vardeman II on 11/9/05.
46			* @author Charles F. Vardeman II
47	chuckv	793	* @version $Id: SC_FF.hpp,v 1.2 2005-12-06 19:26:37 chuckv Exp $
48	chuckv	728	*
49			*/
50			#ifndef USETHEFORCE_SC_FF_HPP
51			#define USETHEFORCE_SC_FF_HPP
52
53			#include "UseTheForce/ForceField.hpp"
54			#include "io/SectionParserManager.hpp"
55			#include "UseTheForce/ForceFieldCreator.hpp"
56	chuckv	793	#include "io/ForceFieldOptions.hpp"
57	chuckv	728	namespace oopse {
58
59			/**
60			* @class SC_FF SC_FF.hpp "UseTheForce/SC_FF.hpp"
61			* @brief Sutton-Chen Force Field Parser
62			*/
63			class SC_FF : public ForceField {
64			public:
65			SC_FF();
66			virtual void parse(const std::string& filename);
67
68			~SC_FF();
69			private:
70			SectionParserManager spMan_;
71	chuckv	793	ForceFieldOptions SCForceFieldOptions_;
72	chuckv	728	};
73
74			} //end namespace oopse
75			#endif //USETHEFORCE_SC_FF_HPP
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