BALL::BendComponent Class Reference
[AMBER Force Field.]

#include <BALL/MOLMEC/COMMON/bendComponent.h>

Inheritance diagram for BALL::BendComponent:

[legend]

List of all members.

Public Member Functions
Constructors and Destructors
	BendComponent ()
	BendComponent (ForceField &force_field)
virtual	~BendComponent ()
Accessors
virtual double	updateEnergy ()
virtual void	updateForces ()
Protected Attributes
vector< QuadraticAngleBend::Data >	bend_
QuadraticAngleBend	bend_parameters_

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Detailed Description

Amber bond stretch component

Definition at line 28 of file bendComponent.h.

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Constructor & Destructor Documentation

BALL::BendComponent::BendComponent

(

)

Default constructor.

BALL::BendComponent::BendComponent

(

ForceField &

force_field

)

Detailed Constructor.

virtual BALL::BendComponent::~BendComponent

(

)

[virtual]

Destructor.

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Member Function Documentation

virtual double BALL::BendComponent::updateEnergy

(

)

[virtual]

Returns the energy of the force field component. The current energy for this force field component is being calculated and returned in units of kJ/mol.

If the component isn't assigned to a ForceField object, zero is returned.

Reimplemented from BALL::ForceFieldComponent.

virtual void BALL::BendComponent::updateForces

(

)

[virtual]

Updates the atomic forces in the force field. The forces created by this ForceFieldComponent are calculated for each atom and updated in the corresponding array (forces) of the ForceField instance this component is assigned to.

Reimplemented from BALL::ForceFieldComponent.

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Member Data Documentation

vector<QuadraticAngleBend::Data> BALL::BendComponent::bend_ [protected]

Definition at line 78 of file bendComponent.h.

QuadraticAngleBend BALL::BendComponent::bend_parameters_ [protected]

Definition at line 80 of file bendComponent.h.