BALL  1.4.2
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BALL::CharmmStretch Class Reference

#include <BALL/MOLMEC/CHARMM/charmmStretch.h>

Inheritance diagram for BALL::CharmmStretch:
BALL::StretchComponent BALL::ForceFieldComponent

Public Member Functions

Constructors and Destructors
 CharmmStretch ()
 
 CharmmStretch (ForceField &force_field)
 
virtual ~CharmmStretch ()
 
Setup Methods
virtual bool setup () throw (Exception::TooManyErrors)
 
- Public Member Functions inherited from BALL::StretchComponent
 StretchComponent ()
 
 StretchComponent (ForceField &force_field)
 
virtual ~StretchComponent ()
 
virtual double updateEnergy ()
  More...
 
virtual void updateForces ()
  More...
 
- Public Member Functions inherited from BALL::ForceFieldComponent
 ForceFieldComponent ()
 
 ForceFieldComponent (ForceField &force_field)
 
 ForceFieldComponent (const ForceFieldComponent &force_field_component)
 
virtual ~ForceFieldComponent ()
 
ForceFieldgetForceField () const
 
void setForceField (ForceField &force_field)
 
void setName (const String &name)
 
String getName () const
 
bool isEnabled () const
 
void setEnabled (bool state)
 
virtual double getEnergy () const
 
virtual void update () throw (Exception::TooManyErrors)
 

Additional Inherited Members

- Protected Attributes inherited from BALL::StretchComponent
std::vector
< QuadraticBondStretch::Data
stretch_
 
QuadraticBondStretch stretch_parameters_
 

Detailed Description

Charmm bond stretch component

Definition at line 23 of file charmmStretch.h.

Constructor & Destructor Documentation

BALL::CharmmStretch::CharmmStretch ( )

Default constructor.

BALL::CharmmStretch::CharmmStretch ( ForceField force_field)

Constructor.

virtual BALL::CharmmStretch::~CharmmStretch ( )
virtual

Destructor.

Member Function Documentation

virtual bool BALL::CharmmStretch::setup ( ) throw (Exception::TooManyErrors)
virtual

Setup method.

Reimplemented from BALL::ForceFieldComponent.