ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.

ProtoMol::CompareForce Class Reference

#include <CompareForce.h>

Inheritance diagram for ProtoMol::CompareForce:

List of all members.


Public Member Functions
	CompareForce (Force actualForce, CompareForce compareForce)
virtual	~CompareForce ()
const Vector3DBlock *	getForces () const
const ScalarStructure *	getEnergies () const
Force *	getForceObject () const
unsigned int	getIdNumber () const
virtual std::string	getKeyword () const
virtual unsigned int	numberOfBlocks (const GenericTopology topo, const Vector3DBlock pos)
virtual std::string	getIdNoAlias () const
virtual void	getParameters (std::vector< Parameter > &parameters) const
virtual unsigned int	getParameterSize () const
Static Public Attributes
const std::string	keyword
Protected Member Functions
void	preprocess (unsigned int numAtoms)
void	postprocess (const GenericTopology topo, Vector3DBlock forces, ScalarStructure *energies)
Protected Attributes
Force *	myActualForce
Vector3DBlock *	myForces
ScalarStructure *	myEnergies
Private Member Functions
virtual Force *	doMake (std::string &errMsg, std::vector< Value > values) const
virtual void	uncache ()
virtual void	doSetParameters (std::string &errMsg, std::vector< Value > values)
Private Attributes
CompareForce *	myCompareForce
unsigned int	myIdNumber
std::string	myForcename
std::string	myCompareForcename
std::vector< CompareError >	myErrors
Static Private Attributes
unsigned int	myCounter = 0

Constructor & Destructor Documentation

ProtoMol::CompareForce::CompareForce ( Force * actualForce,

CompareForce * compareForce

)

ProtoMol::CompareForce::~CompareForce ( ) [virtual]

Member Function Documentation

Force * ProtoMol::CompareForce::doMake ( std::string & errMsg,

std::vector< Value > values

) const [private, virtual]

Implements ProtoMol::Force.

void ProtoMol::CompareForce::doSetParameters ( std::string & errMsg,

std::vector< Value > values

) [private, virtual]

Reimplemented from ProtoMol::Force.

const ScalarStructure* ProtoMol::CompareForce::getEnergies ( ) const [inline]

Force* ProtoMol::CompareForce::getForceObject ( ) const [inline]

const Vector3DBlock* ProtoMol::CompareForce::getForces ( ) const [inline]

string ProtoMol::CompareForce::getIdNoAlias ( ) const [virtual]

Implements ProtoMol::Makeable.

unsigned int ProtoMol::CompareForce::getIdNumber ( ) const [inline]

virtual std::string ProtoMol::CompareForce::getKeyword ( ) const [inline, virtual]

Implements ProtoMol::Force.

void ProtoMol::CompareForce::getParameters ( std::vector< Parameter > & parameters ) const [virtual]

retrieve all parameters

Implements ProtoMol::Makeable.

unsigned int ProtoMol::CompareForce::getParameterSize ( ) const [virtual]

number of parameters

Implements ProtoMol::Makeable.

unsigned int ProtoMol::CompareForce::numberOfBlocks ( const GenericTopology * topo,

const Vector3DBlock * pos

) [virtual]

Reimplemented from ProtoMol::Force.