src/io/RestReader.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 RestReader.hpp 
 */ 
 
#ifndef IO_RESTREADER_HPP 
#define IO_RESTREADER_HPP 
 
#include "io/DumpReader.hpp"

namespace OpenMD { 
 
  /** 
   * @class RestReader RestReader.hpp "io/RestReader.hpp" 
   */ 
  class RestReader : public DumpReader { 
  public: 
    RestReader(SimInfo* info, const std::string &filename) : DumpReader(info, filename){}
    void readReferenceStructure();
  protected: 
    virtual void parseDumpLine(const std::string&);  
    virtual void readFrameProperties(std::istream& inputStream);
  private: 
    std::vector<Vector3d> all_pos_;
  };
 
}      //end namespace OpenMD 
 
#endif //IO_RESTREADER_HPP 
Revision:	1390
Committed:	Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
Original Path:	*trunk/src/io/RestReader.hpp*
File size:	2766 byte(s)
Log Message:	Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4)
#	User	Rev	Content
1	cli2	1360	/*
2			* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3	gezelter	1390	*
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. Redistributions of source code must retain the above copyright
10			* notice, this list of conditions and the following disclaimer.
11			*
12			* 2. Redistributions in binary form must reproduce the above copyright
13			* 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			*
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	cli2	1360	*/
41
42			/**
43			* @file RestReader.hpp
44			*/
45
46			#ifndef IO_RESTREADER_HPP
47			#define IO_RESTREADER_HPP
48
49			#include "io/DumpReader.hpp"
50	chrisfen	417
51	gezelter	1390	namespace OpenMD {
52	cli2	1360
53			/**
54			* @class RestReader RestReader.hpp "io/RestReader.hpp"
55			*/
56			class RestReader : public DumpReader {
57			public:
58			RestReader(SimInfo* info, const std::string &filename) : DumpReader(info, filename){}
59			void readReferenceStructure();
60			protected:
61			virtual void parseDumpLine(const std::string&);
62			virtual void readFrameProperties(std::istream& inputStream);
63			private:
64			std::vector<Vector3d> all_pos_;
65	chrisfen	417	};
66	cli2	1360
67	gezelter	1390	} //end namespace OpenMD
68	cli2	1360
69			#endif //IO_RESTREADER_HPP