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KGreedyBondOrderStrategy.h
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1 #ifndef BALL_STRUCTURE_BONDORDERS_KGREEDYBONDORDERSTRATEGY_H
2 #define BALL_STRUCTURE_BONDORDERS_KGREEDYBONDORDERSTRATEGY_H
3 
4 #ifndef BALL_STRUCTURE_BONDORDERS_BONDORDERASSIGNMENTSTRATEGY_H
6 #endif
7 
8 #ifndef BALL_STRUCTURE_BONDORDERS_BONDORDERASSIGNMENT_H
10 #endif
11 
12 #ifndef BALL_STRUCTURE_BONDORDERS_ASTARBONDORDERSTRATEGY_H
14 #endif
15 
16 namespace BALL
17 {
28  : public AStarBondOrderStrategy
29  {
30  public:
34  struct BALL_EXPORT Option
36  {
43  static const char* GREEDY_K_SIZE;
44  };
45 
47  {
48  static const int GREEDY_K_SIZE;
49  };
51 
53  virtual ~KGreedyBondOrderStrategy();
54 
55  virtual void clear();
56  virtual void init();
57 
58  virtual bool readOptions(const Options& options);
59  virtual void setDefaultOptions();
60 
61  virtual boost::shared_ptr<BondOrderAssignment> computeNextSolution();
62 
63  protected:
64 
67 
69 
70  vector<PartialBondOrderAssignment> greedy_set_;
71 
73 
75  };
76 }
77 
78 #endif // BALL_STRUCTURE_BONDORDERS_KGREEDYBONDORDERSTRATEGY_H
Assignment of bond orders from topology information.
vector< PartialBondOrderAssignment > greedy_set_
KGreedyBondOrderStrategy(AssignBondOrderProcessor *parent)
virtual boost::shared_ptr< BondOrderAssignment > computeNextSolution()
virtual bool readOptions(const Options &options)
#define BALL_EXPORT
Definition: COMMON/global.h:50