DistGeom::FourthDimContrib Class Reference

#include <FourthDimContrib.h>

Inheritance diagram for DistGeom::FourthDimContrib:

List of all members.

Public Member Functions
	FourthDimContrib ()
	FourthDimContrib (ForceFields::ForceField *owner, unsigned int idx, double weight)
	Constructor.
double	getEnergy (double *pos) const
	return the contribution of this contrib to the energy of a given state
void	getGrad (double *pos, double *grad) const
	calculate the contribution of this contrib to the gradient at a given state

---

Detailed Description

A term used in penalizing chirality violations

Definition at line 14 of file FourthDimContrib.h.

---

Constructor & Destructor Documentation

DistGeom::FourthDimContrib::FourthDimContrib

(

)

[inline]

Definition at line 16 of file FourthDimContrib.h.

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 25 of file FourthDimContrib.h.

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

---

Member Function Documentation

double DistGeom::FourthDimContrib::getEnergy

(

double *

pos

)

const [inline, virtual]

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

Implements ForceFields::ForceFieldContrib.

Definition at line 33 of file FourthDimContrib.h.

References ForceFields::ForceFieldContrib::dp_forceField, and PRECONDITION.

void DistGeom::FourthDimContrib::getGrad	(	double *	pos,
		double *	grad
	)			const [inline, virtual]

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

Implements ForceFields::ForceFieldContrib.

Definition at line 42 of file FourthDimContrib.h.

References ForceFields::ForceFieldContrib::dp_forceField, and PRECONDITION.

---

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

• FourthDimContrib.h