AmberStretch Class Reference
[AMBER Force Field.]

Amber bond stretch component. More...

#include <amberStretch.h>

Inheritance diagram for AmberStretch:

List of all members.

Public Member Functions
Constructors and Destructors
	AmberStretch ()
	Default constructor.
	AmberStretch (ForceField &force_field)
	Constructor.
	AmberStretch (const AmberStretch &amber_stretch)
	Copy constructor.
virtual	~AmberStretch ()
	Destructor.
Setup Methods
virtual bool	setup () throw (Exception::TooManyErrors)
	Setup method.
Accessors
virtual double	updateEnergy ()
	Calculates and returns the component's energy.
virtual void	updateForces ()
	Calculates and returns the component's forces.
virtual void	update () throw (Exception::TooManyErrors)
	Update the bond list.

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Detailed Description

Amber bond stretch component.

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Constructor & Destructor Documentation

AmberStretch::AmberStretch (   )

Default constructor.

AmberStretch::AmberStretch (  ForceField &  force_field  )

Constructor.

virtual AmberStretch::~AmberStretch (   )  [virtual]

Destructor.

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Member Function Documentation

virtual bool AmberStretch::setup (   )  throw (Exception::TooManyErrors) [virtual]

Setup method. Reimplemented from ForceFieldComponent.

virtual void AmberStretch::update (   )  throw (Exception::TooManyErrors) [virtual]

Update the bond list. Reimplemented from ForceFieldComponent.

virtual double AmberStretch::updateEnergy (   )  [virtual]

Calculates and returns the component's energy. Reimplemented from ForceFieldComponent.

virtual void AmberStretch::updateForces (   )  [virtual]

Calculates and returns the component's forces. Reimplemented from ForceFieldComponent.