BALL
1.5.0
include
BALL
STRUCTURE
BONDORDERS
branchAndBoundBondOrderStrategy.h
Go to the documentation of this file.
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#ifndef BALL_STRUCTURE_BONDORDERS_BRANCHANDBOUNDBONDORDERSTRATEGY_H
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#define BALL_STRUCTURE_BONDORDERS_BRANCHANDBOUNDBONDORDERSTRATEGY_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_KGREEDYBONDORDERSTRATEGY_H
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# include <
BALL/STRUCTURE/BONDORDERS/KGreedyBondOrderStrategy.h
>
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#endif
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namespace
BALL
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{
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class
BranchAndBoundBondOrderStrategy
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:
public
KGreedyBondOrderStrategy
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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
*
BRANCH_AND_BOUND_CUTOFF
;
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};
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struct
BALL_EXPORT
Default
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{
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static
const
float
BRANCH_AND_BOUND_CUTOFF
;
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};
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BranchAndBoundBondOrderStrategy
(
AssignBondOrderProcessor
* parent);
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virtual
~BranchAndBoundBondOrderStrategy
();
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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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};
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}
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#endif // BALL_STRUCTURE_BONDORDERS_KGREEDYBONDORDERSTRATEGY_H
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
BALL::BranchAndBoundBondOrderStrategy::init
virtual void init()
BALL::BranchAndBoundBondOrderStrategy::clear
virtual void clear()
BALL::Options
Definition:
options.h:48
BALL::BranchAndBoundBondOrderStrategy::readOptions
virtual bool readOptions(const Options &options)
KGreedyBondOrderStrategy.h
bondOrderAssignment.h
BALL::BranchAndBoundBondOrderStrategy::Default
Definition:
branchAndBoundBondOrderStrategy.h:48
BALL::BranchAndBoundBondOrderStrategy::Option
Option names.
Definition:
branchAndBoundBondOrderStrategy.h:37
BALL::AssignBondOrderProcessor
Assignment of bond orders from topology information.
Definition:
assignBondOrderProcessor.h:90
BALL::BranchAndBoundBondOrderStrategy::Default::BRANCH_AND_BOUND_CUTOFF
static const float BRANCH_AND_BOUND_CUTOFF
Definition:
branchAndBoundBondOrderStrategy.h:49
bondOrderAssignmentStrategy.h
BALL
Definition:
constants.h:13
BALL::KGreedyBondOrderStrategy
Definition:
KGreedyBondOrderStrategy.h:29
BALL::BranchAndBoundBondOrderStrategy::~BranchAndBoundBondOrderStrategy
virtual ~BranchAndBoundBondOrderStrategy()
BALL::BranchAndBoundBondOrderStrategy::computeNextSolution
virtual boost::shared_ptr< BondOrderAssignment > computeNextSolution()
BALL::BranchAndBoundBondOrderStrategy::BranchAndBoundBondOrderStrategy
BranchAndBoundBondOrderStrategy(AssignBondOrderProcessor *parent)
BALL::BranchAndBoundBondOrderStrategy::Option::BRANCH_AND_BOUND_CUTOFF
static const char * BRANCH_AND_BOUND_CUTOFF
Definition:
branchAndBoundBondOrderStrategy.h:44
BALL::BranchAndBoundBondOrderStrategy
Definition:
branchAndBoundBondOrderStrategy.h:30
BALL::BranchAndBoundBondOrderStrategy::setDefaultOptions
virtual void setDefaultOptions()
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