CharmmTorsion Class Reference
[CHARMM Force Field.]

CHARMM torsion component. More...

#include <charmmTorsion.h>

Inheritance diagram for CharmmTorsion:

List of all members.

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

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Constructor & Destructor Documentation

CharmmTorsion::CharmmTorsion (   )

Default constructor.

CharmmTorsion::CharmmTorsion (  ForceField &  force_field  )

Constructor.

virtual CharmmTorsion::~CharmmTorsion (   )  [virtual]

Destructor.

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Member Function Documentation

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

Setup method. Reimplemented from ForceFieldComponent.

virtual double CharmmTorsion::updateEnergy (   )  [virtual]

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

virtual void CharmmTorsion::updateForces (   )  [virtual]

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