1 #ifndef BALL_STRUCTURE_BONDORDERS_KGREEDYBONDORDERSTRATEGY_H 2 #define BALL_STRUCTURE_BONDORDERS_KGREEDYBONDORDERSTRATEGY_H 4 #ifndef BALL_STRUCTURE_BONDORDERS_BONDORDERASSIGNMENTSTRATEGY_H 8 #ifndef BALL_STRUCTURE_BONDORDERS_BONDORDERASSIGNMENT_H 12 #ifndef BALL_STRUCTURE_BONDORDERS_ASTARBONDORDERSTRATEGY_H 78 #endif // BALL_STRUCTURE_BONDORDERS_KGREEDYBONDORDERSTRATEGY_H Assignment of bond orders from topology information.
float greedy_bond_length_penalty_
Position current_solution_
float greedy_atom_type_penalty_
vector< PartialBondOrderAssignment > greedy_set_
virtual void setDefaultOptions()
KGreedyBondOrderStrategy(AssignBondOrderProcessor *parent)
virtual boost::shared_ptr< BondOrderAssignment > computeNextSolution()
int greedy_node_expansions_
static const char * GREEDY_K_SIZE
-*- Mode: C++; tab-width: 2; -*-
virtual ~KGreedyBondOrderStrategy()
virtual bool readOptions(const Options &options)
static const int GREEDY_K_SIZE