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root/group/trunk/OOPSE-4/src/types/CutoffGroupStamp.hpp
Revision: 2204
Committed: Fri Apr 15 22:04:00 2005 UTC (19 years, 2 months ago) by gezelter
File size: 2928 byte(s)
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# User Rev Content
1 gezelter 2204 /*
2 gezelter 1930 * 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_CUTOFFGROUPSTAMP_HPP
43     #define TYPES_CUTOFFGROUPSTAMP_HPP
44 gezelter 1490
45 tim 1492 #include "io/LinkedAssign.hpp"
46     #include "types/AtomStamp.hpp"
47 gezelter 1490
48    
49     class CutoffGroupStamp{
50    
51 gezelter 2204 public:
52 gezelter 1490 CutoffGroupStamp();
53     ~CutoffGroupStamp();
54    
55     char* assignString( char* lhs, char* rhs );
56     char* assignDouble( char* lhs, double rhs );
57     char* assignInt( char* lhs, int rhs );
58     char* checkMe( void );
59    
60     char* addMember( int atomIndex );
61     int getNMembers( void ) { return n_members; }
62     int getMember( int index ) { return members[index]; }
63    
64     int haveExtras( void ) { return have_extras; }
65     LinkedAssign* getExtras( void ) { return unhandled; }
66    
67     static char errMsg[500];
68 gezelter 2204 private:
69 gezelter 1490
70     int n_members;
71     int which;
72     short int have_members;
73    
74     int* members;
75    
76     LinkedAssign* unhandled; // the unhandled assignments
77     short int have_extras;
78     };
79    
80     #endif