ForceFields::ForceFieldContrib Class Reference

abstract base class for contributions to ForceFields More...

#include <Contrib.h>

Inheritance diagram for ForceFields::ForceFieldContrib:

List of all members.

Public Member Functions
	ForceFieldContrib ()
virtual	~ForceFieldContrib ()
virtual double	getEnergy (double *pos) const =0
	returns our contribution to the energy of a position
virtual void	getGrad (double *pos, double *grad) const =0
	calculates our contribution to the gradients of a position
Protected Attributes
ForceField *	dp_forceField
	our owning ForceField

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Detailed Description

abstract base class for contributions to ForceFields

Definition at line 13 of file Contrib.h.

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Constructor & Destructor Documentation

ForceFields::ForceFieldContrib::ForceFieldContrib

(

)

[inline]

Definition at line 15 of file Contrib.h.

virtual ForceFields::ForceFieldContrib::~ForceFieldContrib

(

)

[inline, virtual]

Definition at line 16 of file Contrib.h.

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Member Function Documentation

virtual double ForceFields::ForceFieldContrib::getEnergy

(

double *

pos

)

const [pure virtual]

returns our contribution to the energy of a position

Implemented in DistGeom::ChiralViolationContrib, DistGeom::DistViolationContrib, DistGeom::FourthDimContrib, ForceFields::UFF::AngleBendContrib, ForceFields::UFF::BondStretchContrib, ForceFields::UFF::DistanceConstraintContrib, ForceFields::UFF::vdWContrib, and ForceFields::UFF::TorsionAngleContrib.

virtual void ForceFields::ForceFieldContrib::getGrad	(	double *	pos,
		double *	grad
	)			const [pure virtual]

calculates our contribution to the gradients of a position

Implemented in DistGeom::ChiralViolationContrib, DistGeom::DistViolationContrib, DistGeom::FourthDimContrib, ForceFields::UFF::AngleBendContrib, ForceFields::UFF::BondStretchContrib, ForceFields::UFF::DistanceConstraintContrib, ForceFields::UFF::vdWContrib, and ForceFields::UFF::TorsionAngleContrib.

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Member Data Documentation

ForceField* ForceFields::ForceFieldContrib::dp_forceField [protected]

our owning ForceField

Definition at line 25 of file Contrib.h.

Referenced by DistGeom::FourthDimContrib::FourthDimContrib(), DistGeom::FourthDimContrib::getEnergy(), and DistGeom::FourthDimContrib::getGrad().

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

• Contrib.h

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