DistGeom::FourthDimContrib Class Reference

#include <FourthDimContrib.h>

Inheritance diagram for DistGeom::FourthDimContrib:

Public Member Functions
	FourthDimContrib ()
	FourthDimContrib (ForceFields::ForceField *owner, unsigned int idx, double weight)
	Constructor.
double	getEnergy (double *pos) const override
	return the contribution of this contrib to the energy of a given state
void	getGrad (double *pos, double *grad) const override
FourthDimContrib *	copy () const override
	return a copy
Public Member Functions inherited from ForceFields::ForceFieldContrib
	ForceFieldContrib ()
	ForceFieldContrib (ForceFields::ForceField *owner)
virtual	~ForceFieldContrib ()

Additional Inherited Members
Protected Attributes inherited from ForceFields::ForceFieldContrib
ForceField *	dp_forceField {nullptr}
	our owning ForceField

Detailed Description

DEPRECATED: use FourthDimContribs instead A term used in penalizing chirality violations

Definition at line 16 of file FourthDimContrib.h.

Constructor & Destructor Documentation

FourthDimContrib() [1/2]

DistGeom::FourthDimContrib::FourthDimContrib ( )

inline

Definition at line 19 of file FourthDimContrib.h.

FourthDimContrib() [2/2]

DistGeom::FourthDimContrib::FourthDimContrib ( ForceFields::ForceField *  owner, unsigned int  idx, double  weight  )

inline

Constructor.

Parameters

owner	pointer to the owning ForceField
idx	the index of the atom to be considered
weight	(optional) the weight to be used for this contrib

Definition at line 28 of file FourthDimContrib.h.

References ForceFields::ForceField::dimension(), and PRECONDITION.

Member Function Documentation

copy()

FourthDimContrib * DistGeom::FourthDimContrib::copy ( ) const

inlineoverridevirtual

return a copy

Implements ForceFields::ForceFieldContrib.

Definition at line 56 of file FourthDimContrib.h.

getEnergy()

double DistGeom::FourthDimContrib::getEnergy ( double *  pos ) const

inlineoverridevirtual

return the contribution of this contrib to the energy of a given state

Implements ForceFields::ForceFieldContrib.

Definition at line 37 of file FourthDimContrib.h.

References PRECONDITION.

getGrad()

void DistGeom::FourthDimContrib::getGrad ( double *  pos, double *  grad  ) const

inlineoverridevirtual

calculate the contribution of this contrib to the gradient at a given state

Implements ForceFields::ForceFieldContrib.

Definition at line 48 of file FourthDimContrib.h.

References PRECONDITION.

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The documentation for this class was generated from the following file:

• FourthDimContrib.h