src/io/ZConsReader.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.
 */
 
#ifndef IO_ZCONSREADER_HPP
#define IO_ZCONSREADER_HPP

#include <fstream>
#include <string>
#include <vector>
#include "brains/SimInfo.hpp"
#include "constraints/ZconsStruct.hpp"
namespace oopse {
  
  
  /**
   * @class ZConsReader
   * @todo document
   */
  class ZConsReader{
  public:
    
    ZConsReader(SimInfo* info);
    ~ZConsReader();
    
    void readNextFrame();
    bool hasNextFrame();
    int getNZMols() {return allZmols_.size();}
    int getNFixedZmols() {return fixedZmolData_.size();}
    const std::vector<ZconsData>& getFixedZMolData() {return fixedZmolData_; }    
    double getCurTime() {return curTime_; }
    
  private:
    
    std::ifstream istream_;    
    SimInfo* info_;    
    std::vector<int> allZmols_;
    double curTime_;    
    std::vector<ZconsData> fixedZmolData_;
    const static int MAXBUFFERSIZE = 2000;    
  };
  
}
#endif
Revision:	507
Committed:	Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File size:	2991 byte(s)
Log Message:	xemacs has been drafted to perform our indentation services
#	User	Rev	Content
1	gezelter	507	/*
2	gezelter	246	* 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			#ifndef IO_ZCONSREADER_HPP
43			#define IO_ZCONSREADER_HPP
44	gezelter	2
45			#include <fstream>
46			#include <string>
47			#include <vector>
48	tim	3	#include "brains/SimInfo.hpp"
49	gezelter	246	#include "constraints/ZconsStruct.hpp"
50			namespace oopse {
51	gezelter	507
52
53			/**
54			* @class ZConsReader
55			* @todo document
56			*/
57			class ZConsReader{
58	gezelter	2	public:
59
60			ZConsReader(SimInfo* info);
61			~ZConsReader();
62
63			void readNextFrame();
64			bool hasNextFrame();
65	gezelter	246	int getNZMols() {return allZmols_.size();}
66			int getNFixedZmols() {return fixedZmolData_.size();}
67			const std::vector<ZconsData>& getFixedZMolData() {return fixedZmolData_; }
68			double getCurTime() {return curTime_; }
69	gezelter	507
70	gezelter	2	private:
71	gezelter	246
72			std::ifstream istream_;
73			SimInfo* info_;
74			std::vector<int> allZmols_;
75			double curTime_;
76			std::vector<ZconsData> fixedZmolData_;
77			const static int MAXBUFFERSIZE = 2000;
78	gezelter	507	};
79
80	gezelter	246	}
81	gezelter	2	#endif