CharmmStretch Class Reference
[CHARMM Force Field.]

Charmm bond stretch component. More...

#include <charmmStretch.h>

Inheritance diagram for CharmmStretch:

List of all members.

Public Member Functions
Constructors and Destructors
	CharmmStretch ()
	Default constructor.
	CharmmStretch (ForceField &force_field)
	Constructor.
	CharmmStretch (const CharmmStretch &charmm_stretch)
	Copy constructor.
virtual	~CharmmStretch ()
	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.

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Detailed Description

Charmm bond stretch component.

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Constructor & Destructor Documentation

CharmmStretch::CharmmStretch (   )

Default constructor.

CharmmStretch::CharmmStretch (  ForceField &  force_field  )

Constructor.

virtual CharmmStretch::~CharmmStretch (   )  [virtual]

Destructor.

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Member Function Documentation

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

Setup method. Reimplemented from ForceFieldComponent.

virtual double CharmmStretch::updateEnergy (   )  [virtual]

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

virtual void CharmmStretch::updateForces (   )  [virtual]

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