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root/group/trunk/OOPSE-2.0/src/types/TorsionStamp.hpp
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Comparing trunk/OOPSE-2.0/src/types/TorsionStamp.hpp (file contents):
Revision 1930 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 2545 by tim, Wed Jan 11 22:50:55 2006 UTC

# Line 1 | Line 1
1 < /*
1 > /*
2   * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4   * The University of Notre Dame grants you ("Licensee") a
# Line 41 | Line 41
41  
42   #ifndef TYPES_TORSIONSTAMP_HPP
43   #define TYPES_TORSIONSTAMP_HPP
44 + #include "types/DataHolder.hpp"
45 + #include "utils/Tuple.hpp"
46 + namespace oopse {
47 + class TorsionStamp : public DataHolder {
48 +    DeclareParameter(GhostVectorSource, int);
49 +    public:
50  
51 < #include "io/LinkedAssign.hpp"
51 >        TorsionStamp();
52 >        virtual ~TorsionStamp();
53 >        
54 >        int getMemberAt( int index ) {return members_.at(index);}
55 >        int getNMembers() {return members_.size();}
56 >        std::vector<int> getMembers() {return members_;}
57 >        void setMembers(const std::vector<int>& members) {
58 >            members_ = members;
59 >            bool ret = false;
60 >            if (members_.size() < 3 || members_.size() > 4) {
61 >                std::ostringstream oss;
62 >                oss << "members" << containerToString(members) << " is invalid" << std::endl;
63 >                throw OOPSEException(oss.str());
64 >            }
65 >        }        
66  
67 < class TorsionStamp{
67 >        void setMembers(IntTuple4 tuple) {
68 >            members_.push_back(tuple.first);
69 >            members_.push_back(tuple.second);
70 >            members_.push_back(tuple.third);
71 >            members_.push_back(tuple.fourth);            
72 >        }
73 >        virtual void validate();
74  
75 < public:
76 <  TorsionStamp();
77 <  ~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;  
75 >    private:
76 >    
77 >        std::vector<int> members_;
78   };
79 <
79 > }
80   #endif

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