src/types/TorsionStamp.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 TYPES_TORSIONSTAMP_HPP
#define TYPES_TORSIONSTAMP_HPP

#include "io/LinkedAssign.hpp"

class TorsionStamp{

public:
  TorsionStamp();
  ~TorsionStamp();
  
  void assignString( char* lhs, char* rhs );
  void assignDouble( char* lhs, double rhs );
  void assignInt( char* lhs, int rhs );
  void members( int a, int b, int c, int d );
  void constrain( double constraint );
  char* checkMe( void );

  int getA( void ){ return a; }
  int getB( void ){ return b; }
  int getC( void ){ return c; }
  int getD( void ){ return d; }

  int haveExtras( void ) { return have_extras; }
  LinkedAssign* getExtras( void ) { return unhandled; }

private:

  int a, b, c, d; //the members
  double constraint;
  short int have_mbrs, have_constraint;

  LinkedAssign* unhandled; // the unhandled assignments
  short int have_extras;  
};

#endif
Revision:	1930
Committed:	Wed Jan 12 22:41:40 2005 UTC (19 years, 5 months ago) by gezelter
File size:	2916 byte(s)
Log Message:	merging new_design branch into OOPSE-2.0
#	User	Rev	Content
1	gezelter	1930	/*
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			#ifndef TYPES_TORSIONSTAMP_HPP
43			#define TYPES_TORSIONSTAMP_HPP
44	gezelter	1490
45	tim	1492	#include "io/LinkedAssign.hpp"
46	gezelter	1490
47			class TorsionStamp{
48
49			public:
50			TorsionStamp();
51			~TorsionStamp();
52
53			void assignString( char* lhs, char* rhs );
54			void assignDouble( char* lhs, double rhs );
55			void assignInt( char* lhs, int rhs );
56			void members( int a, int b, int c, int d );
57			void constrain( double constraint );
58			char* checkMe( void );
59
60			int getA( void ){ return a; }
61			int getB( void ){ return b; }
62			int getC( void ){ return c; }
63			int getD( void ){ return d; }
64
65			int haveExtras( void ) { return have_extras; }
66			LinkedAssign* getExtras( void ) { return unhandled; }
67
68			private:
69
70			int a, b, c, d; //the members
71			double constraint;
72			short int have_mbrs, have_constraint;
73
74			LinkedAssign* unhandled; // the unhandled assignments
75			short int have_extras;
76			};
77
78			#endif