BALL 1.5.0
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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
16namespace BALL
17{
29 {
30 public:
36 {
43 static const char* GREEDY_K_SIZE;
44 };
45
47 {
48 static const int GREEDY_K_SIZE;
49 };
51
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.
virtual boost::shared_ptr< BondOrderAssignment > computeNextSolution()
virtual bool readOptions(const Options &options)
vector< PartialBondOrderAssignment > greedy_set_
KGreedyBondOrderStrategy(AssignBondOrderProcessor *parent)
#define BALL_EXPORT