ChemScoreMetal Class Reference

ChemScore Metal component { Definition:} {BALL/MOLMEC/SLICK/chemScoreMetal.h}. More...

#include <metal.h>

Inheritance diagram for ChemScoreMetal:

List of all members.

Public Member Functions
Constructors and Destructors
	ChemScoreMetal () throw ()
	Default constructor.
	ChemScoreMetal (ForceField &force_field) throw ()
	Constructor.
	ChemScoreMetal (const ChemScoreMetal &csm) throw ()
	Copy constructor.
virtual	~ChemScoreMetal () throw ()
	Destructor.
Assignment
const ChemScoreMetal &	operator= (const ChemScoreMetal &csm) throw ()
	Assignment.
virtual void	clear () throw ()
	Clear method.
Predicates.
bool	operator== (const ChemScoreMetal &csm) const throw ()
Setup Methods
virtual bool	setup () throw ()
	Setup method.
Accessors
virtual double	updateEnergy () throw ()
	Calculates and returns the component's energy.
virtual void	updateForces () throw ()
	Calculates and returns the component's forces.

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Detailed Description

ChemScore Metal component { Definition:} {BALL/MOLMEC/SLICK/chemScoreMetal.h}.

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Constructor & Destructor Documentation

ChemScoreMetal::ChemScoreMetal (   )  throw ()

Default constructor.

ChemScoreMetal::ChemScoreMetal (  ForceField &  force_field  )  throw ()

Constructor.

virtual ChemScoreMetal::~ChemScoreMetal (   )  throw () [virtual]

Destructor.

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Member Function Documentation

virtual void ChemScoreMetal::clear (   )  throw () [virtual]

Clear method.

const ChemScoreMetal& ChemScoreMetal::operator= (  const ChemScoreMetal &  csm  )  throw ()

Assignment.

virtual bool ChemScoreMetal::setup (   )  throw () [virtual]

Setup method. Reimplemented from ForceFieldComponent.

virtual double ChemScoreMetal::updateEnergy (   )  throw () [virtual]

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

virtual void ChemScoreMetal::updateForces (   )  throw () [virtual]

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