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root/group/trunk/OOPSE-2.0/src/types/BendStamp.hpp
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Comparing trunk/OOPSE-2.0/src/types/BendStamp.hpp (file contents):
Revision 1492 by tim, Fri Sep 24 16:27:58 2004 UTC vs.
Revision 2544 by tim, Wed Jan 11 19:01:20 2006 UTC

# Line 1 | Line 1
1 < #ifndef __BENDSTAMP_H__
2 < #define __BENDSTAMP_H__
1 > /*
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_BENDSTAMP_HPP
43 > #define TYPES_BENDSTAMP_HPP
44  
45 < #include "io/LinkedAssign.hpp"
45 > #include "types/DataHolder.hpp"
46 > #include "utils/Tuple.hpp"
47 > namespace oopse {
48  
49 < class BendStamp{
49 > class BendStamp : public DataHolder {
50 >    DeclareParameter(GhostVectorSource, int);
51 >    public:
52  
53 < public:
54 <  BendStamp();
10 <  ~BendStamp();
11 <  
12 <  void assignString( char* lhs, char* rhs );
13 <  void assignDouble( char* lhs, double rhs );
14 <  void assignInt( char* lhs, int rhs );
15 <  void members( int the_a, int the_b, int the_c );
16 <  void constrain( double the_constraint );
17 <  char* checkMe( void );
53 >        BendStamp();
54 >        virtual ~BendStamp();
55  
56 <  int getA( void ){ return a; }
57 <  int getB( void ){ return b; }
58 <  int getC( void ){ return c; }
56 >        int getMemberAt( int index ) {return members_.at(index);}
57 >        int getNMembers() {return members_.size();}
58 >        std::vector<int> getMembers() {return members_;}
59 >        void setMembers(const std::vector<int>& members) {            
60 >            members_ = members;
61 >            if (members_.size() < 2  || members_.size() >3) {
62 >                std::ostringstream oss;
63 >                oss << "members" << containerToString(members) << " is an invalid" << std::endl;
64 >                throw OOPSEException(oss.str());
65 >            }
66 >        }
67 >        void setMembers(IntTuple3 tuple) {
68 >            members_.push_back(tuple.first);
69 >            members_.push_back(tuple.second);
70 >            members_.push_back(tuple.third);
71 >        }
72 >        virtual void validate();
73  
74 <  int haveExtras( void ) { return have_extras; }
75 <  LinkedAssign* getExtras( void ) { return unhandled; }
76 <  
26 < private:
27 <
28 <  int a, b, c; //the members
29 <  double constraint;
30 <  short int have_mbrs, have_constraint;
31 <
32 <  LinkedAssign* unhandled; // the unhandled assignments
33 <  short int have_extras;
34 <
74 >    private:
75 >    
76 >        std::vector<int> members_;
77   };
78 <
78 > }
79   #endif

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