BALL  1.4.79
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Public Member Functions | Protected Attributes | List of all members
BALL::ILPBondOrderStrategy Class Reference

#include <BALL/STRUCTURE/BONDORDERS/ILPBondOrderStrategy.h>

Inheritance diagram for BALL::ILPBondOrderStrategy:
BALL::BondOrderAssignmentStrategy

Public Member Functions

 ILPBondOrderStrategy (AssignBondOrderProcessor *parent)
 
virtual ~ILPBondOrderStrategy ()
 
virtual void clear ()
 
virtual void init ()
 
virtual bool readOptions (const Options &options)
 
virtual void setDefaultOptions ()
 
virtual boost::shared_ptr
< BondOrderAssignment
computeNextSolution ()
 
- Public Member Functions inherited from BALL::BondOrderAssignmentStrategy
 BondOrderAssignmentStrategy (AssignBondOrderProcessor *parent)
 

Protected Attributes

bool valid_
 
std::vector< Bond * > index_to_free_bond_
 
Position number_of_free_bonds_
 
float const_penalty_
 
bool first_solution_
 
lprecilp_
 

Additional Inherited Members

- Public Attributes inherited from BALL::BondOrderAssignmentStrategy
AssignBondOrderProcessorabop
 Our parent processor. More...
 

Detailed Description

ILP algorithm for bond order assignment.

This class implements an Integer Linear Programming approach for the bond order assignment problem that can be used by the AssignBondOrderProcessor .

Definition at line 23 of file ILPBondOrderStrategy.h.

Constructor & Destructor Documentation

BALL::ILPBondOrderStrategy::ILPBondOrderStrategy ( AssignBondOrderProcessor parent)
virtual BALL::ILPBondOrderStrategy::~ILPBondOrderStrategy ( )
virtual

Member Function Documentation

virtual void BALL::ILPBondOrderStrategy::clear ( )
virtual

Reimplemented from BALL::BondOrderAssignmentStrategy.

virtual boost::shared_ptr<BondOrderAssignment> BALL::ILPBondOrderStrategy::computeNextSolution ( )
virtual
virtual void BALL::ILPBondOrderStrategy::init ( )
virtual
virtual bool BALL::ILPBondOrderStrategy::readOptions ( const Options options)
virtual

Reimplemented from BALL::BondOrderAssignmentStrategy.

virtual void BALL::ILPBondOrderStrategy::setDefaultOptions ( )
virtual

Reimplemented from BALL::BondOrderAssignmentStrategy.

Member Data Documentation

float BALL::ILPBondOrderStrategy::const_penalty_
protected

Definition at line 49 of file ILPBondOrderStrategy.h.

bool BALL::ILPBondOrderStrategy::first_solution_
protected

Definition at line 52 of file ILPBondOrderStrategy.h.

lprec* BALL::ILPBondOrderStrategy::ilp_
protected

Definition at line 55 of file ILPBondOrderStrategy.h.

std::vector<Bond*> BALL::ILPBondOrderStrategy::index_to_free_bond_
protected

Definition at line 43 of file ILPBondOrderStrategy.h.

Position BALL::ILPBondOrderStrategy::number_of_free_bonds_
protected

Definition at line 46 of file ILPBondOrderStrategy.h.

bool BALL::ILPBondOrderStrategy::valid_
protected

Definition at line 39 of file ILPBondOrderStrategy.h.