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AmberTorsion Class Reference
[AMBER Force Field.]

Amber bond stretch component. More...

#include <amberTorsion.h>

Inheritance diagram for AmberTorsion:

ForceFieldComponent List of all members.

Public Member Functions

Constructors and Destructors
 AmberTorsion ()
 Default constructor.
 AmberTorsion (ForceField &force_field)
 Constructor.
 AmberTorsion (const AmberTorsion &amber_stretch)
 Copy constructor.
virtual ~AmberTorsion ()
 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.

Detailed Description

Amber bond stretch component.


Constructor & Destructor Documentation

AmberTorsion::AmberTorsion  ) 
 

Default constructor.

AmberTorsion::AmberTorsion ForceField force_field  ) 
 

Constructor.

virtual AmberTorsion::~AmberTorsion  )  [virtual]
 

Destructor.


Member Function Documentation

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

Setup method.

Reimplemented from ForceFieldComponent.

virtual double AmberTorsion::updateEnergy  )  [virtual]
 

Calculates and returns the component's energy.

Reimplemented from ForceFieldComponent.

virtual void AmberTorsion::updateForces  )  [virtual]
 

Calculates and returns the component's forces.

Reimplemented from ForceFieldComponent.