1 #ifndef BALL_STRUCTURE_BONDORDERS_ASTARBONDORDERSTRATEGY_H 2 #define BALL_STRUCTURE_BONDORDERS_ASTARBONDORDERSTRATEGY_H 4 #ifndef BALL_STRUCTURE_BONDORDERS_BONDORDERASSIGNMENTSTRATEGY_H 8 #ifndef BALL_STRUCTURE_BONDORDERS_PARTIALBONDORDERASSIGNMENT_H 12 #ifndef BALL_STRUCTURE_BONDORDERS_BONDORDERASSIGNMENT_H 16 #ifndef BALL_DATATYPE_HASHMAP_H 80 std::priority_queue<PartialBondOrderAssignment>
queue_;
89 #endif // BALL_STRUCTURE_BONDORDERS_ASTARBONDORDERSTRATEGY_H Assignment of bond orders from topology information.
static const String SIMPLE
virtual bool readOptions(const Options &options)
virtual void setDefaultOptions()
static const String HEURISTIC
static const String MEDIUM
static const char * HEURISTIC
std::priority_queue< PartialBondOrderAssignment > queue_
AStarBondOrderStrategy(AssignBondOrderProcessor *parent)
int step_
The priority queue.
PartialBondOrderAssignment::HEURISTIC_INDEX heuristic_index_
The chosen heuristic.
static const String TIGHT
-*- Mode: C++; tab-width: 2; -*-
Base class for bond order assignment algorithms.
virtual ~AStarBondOrderStrategy()
virtual boost::shared_ptr< BondOrderAssignment > computeNextSolution()