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KGreedyBondOrderStrategy.h
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#ifndef BALL_STRUCTURE_BONDORDERS_KGREEDYBONDORDERSTRATEGY_H
#define BALL_STRUCTURE_BONDORDERS_KGREEDYBONDORDERSTRATEGY_H
#ifndef BALL_STRUCTURE_BONDORDERS_BONDORDERASSIGNMENTSTRATEGY_H
# include <BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h>
#endif
#ifndef BALL_STRUCTURE_BONDORDERS_BONDORDERASSIGNMENT_H
# include <BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h>
#endif
#ifndef BALL_STRUCTURE_BONDORDERS_ASTARBONDORDERSTRATEGY_H
# include <BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h>
#endif
namespace BALL
{
class KGreedyBondOrderStrategy
: public AStarBondOrderStrategy
{
public:
struct BALL_EXPORT Option
{
static const char* GREEDY_K_SIZE;
};
struct BALL_EXPORT Default
{
static const int GREEDY_K_SIZE;
};
KGreedyBondOrderStrategy(AssignBondOrderProcessor* parent);
virtual ~KGreedyBondOrderStrategy();
virtual void clear();
virtual void init();
virtual bool readOptions(const Options& options);
virtual void setDefaultOptions();
virtual boost::shared_ptr<BondOrderAssignment> computeNextSolution();
protected:
float greedy_atom_type_penalty_;
float greedy_bond_length_penalty_;
Size greedy_k_;
vector<PartialBondOrderAssignment> greedy_set_;
Position current_solution_;
int greedy_node_expansions_;
};
}
#endif // BALL_STRUCTURE_BONDORDERS_KGREEDYBONDORDERSTRATEGY_H
AStarBondOrderStrategy.h
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
bondOrderAssignmentStrategy.h
bondOrderAssignment.h
BALL::AStarBondOrderStrategy::AStarBondOrderStrategy
AStarBondOrderStrategy(AssignBondOrderProcessor *parent)
BALL::AssignBondOrderProcessor
Assignment of bond orders from topology information.
Definition assignBondOrderProcessor.h:90
BALL::KGreedyBondOrderStrategy::current_solution_
Position current_solution_
Definition KGreedyBondOrderStrategy.h:72
BALL::KGreedyBondOrderStrategy::computeNextSolution
virtual boost::shared_ptr< BondOrderAssignment > computeNextSolution()
BALL::KGreedyBondOrderStrategy::init
virtual void init()
BALL::KGreedyBondOrderStrategy::readOptions
virtual bool readOptions(const Options &options)
BALL::KGreedyBondOrderStrategy::~KGreedyBondOrderStrategy
virtual ~KGreedyBondOrderStrategy()
BALL::KGreedyBondOrderStrategy::setDefaultOptions
virtual void setDefaultOptions()
BALL::KGreedyBondOrderStrategy::greedy_k_
Size greedy_k_
Definition KGreedyBondOrderStrategy.h:68
BALL::KGreedyBondOrderStrategy::greedy_set_
vector< PartialBondOrderAssignment > greedy_set_
Definition KGreedyBondOrderStrategy.h:70
BALL::KGreedyBondOrderStrategy::greedy_bond_length_penalty_
float greedy_bond_length_penalty_
Definition KGreedyBondOrderStrategy.h:66
BALL::KGreedyBondOrderStrategy::KGreedyBondOrderStrategy
KGreedyBondOrderStrategy(AssignBondOrderProcessor *parent)
BALL::KGreedyBondOrderStrategy::greedy_node_expansions_
int greedy_node_expansions_
Definition KGreedyBondOrderStrategy.h:74
BALL::KGreedyBondOrderStrategy::greedy_atom_type_penalty_
float greedy_atom_type_penalty_
Definition KGreedyBondOrderStrategy.h:65
BALL::KGreedyBondOrderStrategy::clear
virtual void clear()
BALL::Options
Definition options.h:48
BALL
Definition constants.h:13
BALL::Size
BALL_SIZE_TYPE Size
Definition COMMON/global.h:114
BALL::Position
BALL_SIZE_TYPE Position
Definition COMMON/global.h:140
BALL::KGreedyBondOrderStrategy::Default
Definition KGreedyBondOrderStrategy.h:47
BALL::KGreedyBondOrderStrategy::Default::GREEDY_K_SIZE
static const int GREEDY_K_SIZE
Definition KGreedyBondOrderStrategy.h:48
BALL::KGreedyBondOrderStrategy::Option
Option names.
Definition KGreedyBondOrderStrategy.h:36
BALL::KGreedyBondOrderStrategy::Option::GREEDY_K_SIZE
static const char * GREEDY_K_SIZE
Definition KGreedyBondOrderStrategy.h:43