BALL  1.4.1
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Protected Attributes
BALL::BendComponent Class Reference

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

Inheritance diagram for BALL::BendComponent:
BALL::ForceFieldComponent BALL::AmberBend BALL::CharmmBend

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::Databend_
QuadraticAngleBend bend_parameters_

Detailed Description

Amber bond stretch component

Definition at line 28 of file bendComponent.h.


Constructor & Destructor Documentation

Default constructor.

Detailed Constructor.

virtual BALL::BendComponent::~BendComponent ( ) [virtual]

Destructor.


Member Function Documentation

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.


Member Data Documentation

Definition at line 78 of file bendComponent.h.

Definition at line 80 of file bendComponent.h.

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