BALL  1.5.0
branchAndBoundBondOrderStrategy.h
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1 #ifndef BALL_STRUCTURE_BONDORDERS_BRANCHANDBOUNDBONDORDERSTRATEGY_H
2 #define BALL_STRUCTURE_BONDORDERS_BRANCHANDBOUNDBONDORDERSTRATEGY_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_KGREEDYBONDORDERSTRATEGY_H
14 #endif
15 
16 namespace BALL
17 {
30  {
31  public:
35  struct BALL_EXPORT Option
37  {
44  static const char* BRANCH_AND_BOUND_CUTOFF;
45  };
46 
48  {
49  static const float BRANCH_AND_BOUND_CUTOFF;
50  };
52 
55 
56  virtual void clear();
57  virtual void init();
58 
59  virtual bool readOptions(const Options& options);
60  virtual void setDefaultOptions();
61 
62  virtual boost::shared_ptr<BondOrderAssignment> computeNextSolution();
63 
64  protected:
65  };
66 }
67 
68 #endif // BALL_STRUCTURE_BONDORDERS_KGREEDYBONDORDERSTRATEGY_H
BALL::BranchAndBoundBondOrderStrategy::init
virtual void init()
BALL::BranchAndBoundBondOrderStrategy::clear
virtual void clear()
BALL::Options
Definition: options.h:46
BALL::BranchAndBoundBondOrderStrategy::readOptions
virtual bool readOptions(const Options &options)
KGreedyBondOrderStrategy.h
bondOrderAssignment.h
BALL::BranchAndBoundBondOrderStrategy::Default
Definition: branchAndBoundBondOrderStrategy.h:47
BALL::BranchAndBoundBondOrderStrategy::Option
Option names.
Definition: branchAndBoundBondOrderStrategy.h:36
BALL::AssignBondOrderProcessor
Assignment of bond orders from topology information.
Definition: assignBondOrderProcessor.h:88
BALL::BranchAndBoundBondOrderStrategy::Default::BRANCH_AND_BOUND_CUTOFF
static const float BRANCH_AND_BOUND_CUTOFF
Definition: branchAndBoundBondOrderStrategy.h:49
bondOrderAssignmentStrategy.h
BALL
Definition: constants.h:12
BALL::KGreedyBondOrderStrategy
Definition: KGreedyBondOrderStrategy.h:27
BALL::BranchAndBoundBondOrderStrategy::~BranchAndBoundBondOrderStrategy
virtual ~BranchAndBoundBondOrderStrategy()
BALL::BranchAndBoundBondOrderStrategy::computeNextSolution
virtual boost::shared_ptr< BondOrderAssignment > computeNextSolution()
BALL::BranchAndBoundBondOrderStrategy::BranchAndBoundBondOrderStrategy
BranchAndBoundBondOrderStrategy(AssignBondOrderProcessor *parent)
BALL::BranchAndBoundBondOrderStrategy::Option::BRANCH_AND_BOUND_CUTOFF
static const char * BRANCH_AND_BOUND_CUTOFF
Definition: branchAndBoundBondOrderStrategy.h:44
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50
BALL::BranchAndBoundBondOrderStrategy
Definition: branchAndBoundBondOrderStrategy.h:28
BALL::BranchAndBoundBondOrderStrategy::setDefaultOptions
virtual void setDefaultOptions()