BALL  1.4.1
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BALL::AmberBend Class Reference

#include <BALL/MOLMEC/AMBER/amberBend.h>

Inheritance diagram for BALL::AmberBend:
BALL::BendComponent BALL::ForceFieldComponent

Public Member Functions

Constructors and Destructors
 AmberBend ()
 AmberBend (ForceField &force_field)
virtual ~AmberBend ()
Setup Methods
virtual bool setup () throw (Exception::TooManyErrors)
- Public Member Functions inherited from BALL::BendComponent
 BendComponent ()
 BendComponent (ForceField &force_field)
virtual ~BendComponent ()
virtual double updateEnergy ()
 
virtual void updateForces ()
 
- Public Member Functions inherited from BALL::ForceFieldComponent
 ForceFieldComponent ()
 ForceFieldComponent (ForceField &force_field)
 ForceFieldComponent (const ForceFieldComponent &force_field_component)
virtual ~ForceFieldComponent ()
ForceFieldgetForceField () const
void setForceField (ForceField &force_field)
void setName (const String &name)
String getName () const
bool isEnabled () const
void setEnabled (bool state)
virtual double getEnergy () const
virtual void update () throw (Exception::TooManyErrors)

Additional Inherited Members

- Protected Attributes inherited from BALL::BendComponent
vector< QuadraticAngleBend::Databend_
QuadraticAngleBend bend_parameters_

Detailed Description

Amber bond stretch component

Definition at line 23 of file amberBend.h.

Constructor & Destructor Documentation

BALL::AmberBend::AmberBend ( )

Default constructor.

BALL::AmberBend::AmberBend ( ForceField force_field)

Constructor.

virtual BALL::AmberBend::~AmberBend ( )
virtual

Destructor.

Member Function Documentation

virtual bool BALL::AmberBend::setup ( ) throw (Exception::TooManyErrors)
virtual

Setup method.

Reimplemented from BALL::ForceFieldComponent.