BALL 1.5.0
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< BondOrderAssignmentcomputeNextSolution ()
 
- Public Member Functions inherited from BALL::BondOrderAssignmentStrategy
 BondOrderAssignmentStrategy (AssignBondOrderProcessor *parent)
 
virtual boost::shared_ptr< BondOrderAssignmentcomputeNextSolution ()=0
 
virtual bool readOptions (const Options &options)
 
virtual void setDefaultOptions ()
 
virtual void clear ()
 
virtual void init ()=0
 

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

◆ ILPBondOrderStrategy()

BALL::ILPBondOrderStrategy::ILPBondOrderStrategy ( AssignBondOrderProcessor parent)

◆ ~ILPBondOrderStrategy()

virtual BALL::ILPBondOrderStrategy::~ILPBondOrderStrategy ( )
virtual

Member Function Documentation

◆ clear()

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

Reimplemented from BALL::BondOrderAssignmentStrategy.

◆ computeNextSolution()

virtual boost::shared_ptr< BondOrderAssignment > BALL::ILPBondOrderStrategy::computeNextSolution ( )
virtual

◆ init()

virtual void BALL::ILPBondOrderStrategy::init ( )
virtual

◆ readOptions()

virtual bool BALL::ILPBondOrderStrategy::readOptions ( const Options options)
virtual

Reimplemented from BALL::BondOrderAssignmentStrategy.

◆ setDefaultOptions()

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

Reimplemented from BALL::BondOrderAssignmentStrategy.

Member Data Documentation

◆ const_penalty_

float BALL::ILPBondOrderStrategy::const_penalty_
protected

Definition at line 49 of file ILPBondOrderStrategy.h.

◆ first_solution_

bool BALL::ILPBondOrderStrategy::first_solution_
protected

Definition at line 52 of file ILPBondOrderStrategy.h.

◆ ilp_

lprec* BALL::ILPBondOrderStrategy::ilp_
protected

Definition at line 55 of file ILPBondOrderStrategy.h.

◆ index_to_free_bond_

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

Definition at line 43 of file ILPBondOrderStrategy.h.

◆ number_of_free_bonds_

Position BALL::ILPBondOrderStrategy::number_of_free_bonds_
protected

Definition at line 46 of file ILPBondOrderStrategy.h.

◆ valid_

bool BALL::ILPBondOrderStrategy::valid_
protected

Definition at line 39 of file ILPBondOrderStrategy.h.