BALL  1.5.0
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
BALL::KGreedyBondOrderStrategy::clear
virtual void clear()
BALL::KGreedyBondOrderStrategy::KGreedyBondOrderStrategy
KGreedyBondOrderStrategy(AssignBondOrderProcessor *parent)
BALL::KGreedyBondOrderStrategy::Option
Option names.
Definition: KGreedyBondOrderStrategy.h:35
BALL::KGreedyBondOrderStrategy::~KGreedyBondOrderStrategy
virtual ~KGreedyBondOrderStrategy()
BALL::KGreedyBondOrderStrategy::setDefaultOptions
virtual void setDefaultOptions()
BALL::Options
Definition: options.h:46
BALL::KGreedyBondOrderStrategy::Option::GREEDY_K_SIZE
static const char * GREEDY_K_SIZE
Definition: KGreedyBondOrderStrategy.h:43
bondOrderAssignment.h
BALL::KGreedyBondOrderStrategy::Default::GREEDY_K_SIZE
static const int GREEDY_K_SIZE
Definition: KGreedyBondOrderStrategy.h:48
BALL::KGreedyBondOrderStrategy::current_solution_
Position current_solution_
Definition: KGreedyBondOrderStrategy.h:72
BALL::KGreedyBondOrderStrategy::readOptions
virtual bool readOptions(const Options &options)
BALL::AssignBondOrderProcessor
Assignment of bond orders from topology information.
Definition: assignBondOrderProcessor.h:88
bondOrderAssignmentStrategy.h
BALL
Definition: constants.h:12
BALL::KGreedyBondOrderStrategy::Default
Definition: KGreedyBondOrderStrategy.h:46
BALL::KGreedyBondOrderStrategy
Definition: KGreedyBondOrderStrategy.h:27
BALL::AStarBondOrderStrategy
Definition: AStarBondOrderStrategy.h:30
BALL::KGreedyBondOrderStrategy::greedy_k_
Size greedy_k_
Definition: KGreedyBondOrderStrategy.h:68
BALL_SIZE_TYPE
BALL::KGreedyBondOrderStrategy::greedy_bond_length_penalty_
float greedy_bond_length_penalty_
Definition: KGreedyBondOrderStrategy.h:66
BALL::KGreedyBondOrderStrategy::greedy_node_expansions_
int greedy_node_expansions_
Definition: KGreedyBondOrderStrategy.h:74
BALL::KGreedyBondOrderStrategy::computeNextSolution
virtual boost::shared_ptr< BondOrderAssignment > computeNextSolution()
BALL::KGreedyBondOrderStrategy::init
virtual void init()
BALL::KGreedyBondOrderStrategy::greedy_set_
vector< PartialBondOrderAssignment > greedy_set_
Definition: KGreedyBondOrderStrategy.h:70
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50
BALL::KGreedyBondOrderStrategy::greedy_atom_type_penalty_
float greedy_atom_type_penalty_
Definition: KGreedyBondOrderStrategy.h:65
AStarBondOrderStrategy.h