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include
BALL
STRUCTURE
BONDORDERS
KGreedyBondOrderStrategy.h
Go to the documentation of this file.
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#ifndef BALL_STRUCTURE_BONDORDERS_KGREEDYBONDORDERSTRATEGY_H
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#define BALL_STRUCTURE_BONDORDERS_KGREEDYBONDORDERSTRATEGY_H
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#ifndef BALL_STRUCTURE_BONDORDERS_BONDORDERASSIGNMENTSTRATEGY_H
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# include <
BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h
>
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#endif
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#ifndef BALL_STRUCTURE_BONDORDERS_BONDORDERASSIGNMENT_H
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# include <
BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h
>
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#endif
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#ifndef BALL_STRUCTURE_BONDORDERS_ASTARBONDORDERSTRATEGY_H
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# include <
BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h
>
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#endif
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namespace
BALL
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{
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class
KGreedyBondOrderStrategy
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:
public
AStarBondOrderStrategy
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{
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public
:
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struct
BALL_EXPORT
Option
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{
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static
const
char
*
GREEDY_K_SIZE
;
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};
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struct
BALL_EXPORT
Default
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{
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static
const
int
GREEDY_K_SIZE
;
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};
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KGreedyBondOrderStrategy
(
AssignBondOrderProcessor
* parent);
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virtual
~KGreedyBondOrderStrategy
();
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virtual
void
clear
();
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virtual
void
init
();
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virtual
bool
readOptions
(
const
Options
& options);
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virtual
void
setDefaultOptions
();
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virtual
boost::shared_ptr<BondOrderAssignment>
computeNextSolution
();
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protected
:
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float
greedy_atom_type_penalty_
;
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float
greedy_bond_length_penalty_
;
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Size
greedy_k_
;
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vector<PartialBondOrderAssignment>
greedy_set_
;
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Position
current_solution_
;
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int
greedy_node_expansions_
;
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};
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}
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#endif // BALL_STRUCTURE_BONDORDERS_KGREEDYBONDORDERSTRATEGY_H
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