#include <BALL/STRUCTURE/BONDORDERS/branchAndBoundBondOrderStrategy.h>

Inheritance diagram for BALL::BranchAndBoundBondOrderStrategy:

Classes
struct	Default

struct	Option
	Option names. More...

Public Member Functions
	BranchAndBoundBondOrderStrategy (AssignBondOrderProcessor *parent)

virtual	~BranchAndBoundBondOrderStrategy ()

virtual void	clear ()

virtual void	init ()

virtual bool	readOptions (const Options &options)

virtual void	setDefaultOptions ()

virtual boost::shared_ptr < BondOrderAssignment >	computeNextSolution ()

Public Member Functions inherited from BALL::KGreedyBondOrderStrategy
	KGreedyBondOrderStrategy (AssignBondOrderProcessor *parent)

virtual	~KGreedyBondOrderStrategy ()

Public Member Functions inherited from BALL::AStarBondOrderStrategy
	AStarBondOrderStrategy (AssignBondOrderProcessor *parent)

virtual	~AStarBondOrderStrategy ()

Public Member Functions inherited from BALL::BondOrderAssignmentStrategy
	BondOrderAssignmentStrategy (AssignBondOrderProcessor *parent)

Additional Inherited Members
Public Attributes inherited from BALL::BondOrderAssignmentStrategy
AssignBondOrderProcessor *	abop
	Our parent processor. More...

Protected Attributes inherited from BALL::KGreedyBondOrderStrategy
float	greedy_atom_type_penalty_

float	greedy_bond_length_penalty_

Size	greedy_k_

vector < PartialBondOrderAssignment >	greedy_set_

Position	current_solution_

int	greedy_node_expansions_

Protected Attributes inherited from BALL::AStarBondOrderStrategy
PartialBondOrderAssignment::HEURISTIC_INDEX	heuristic_index_
	The chosen heuristic. More...

std::priority_queue < PartialBondOrderAssignment >	queue_

int	step_
	The priority queue. More...

Detailed Description

Branch-and-bound algorithm for bond order assignment.

This class implements a (possibly sub-optimal) branch and bound approach for the bond order assignment problem that can be used by the AssignBondOrderProcessor . The implementation of this strategy is very similar to the KGreedy approach and much of its functionality can be reused. We thus derive from KGreedyBondOrderStrategy .

Definition at line 28 of file branchAndBoundBondOrderStrategy.h.