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DistGeom::DistViolationContrib Class Reference

#include <DistViolationContrib.h>

Inheritance diagram for DistGeom::DistViolationContrib:
ForceFields::ForceFieldContrib

Public Member Functions

 DistViolationContrib ()
 
 DistViolationContrib (ForceFields::ForceField *owner, unsigned int idx1, unsigned int idx2, double ub, double lb, double weight=1.0)
 Constructor. More...
 
double getEnergy (double *pos) const
 returns our contribution to the energy of a position More...
 
void getGrad (double *pos, double *grad) const
 calculates our contribution to the gradients of a position More...
 
virtual DistViolationContribcopy () const
 return a copy More...
 
- Public Member Functions inherited from ForceFields::ForceFieldContrib
 ForceFieldContrib ()
 
 ForceFieldContrib (ForceFields::ForceField *owner)
 
virtual ~ForceFieldContrib ()
 

Additional Inherited Members

- Protected Attributes inherited from ForceFields::ForceFieldContrib
ForceFielddp_forceField
 our owning ForceField More...
 

Detailed Description

A term to capture the violation of the upper and lower bounds by distance between two points

Definition at line 18 of file DistViolationContrib.h.

Constructor & Destructor Documentation

DistGeom::DistViolationContrib::DistViolationContrib ( )
inline

Definition at line 20 of file DistViolationContrib.h.

References getEnergy(), and getGrad().

Referenced by copy().

DistGeom::DistViolationContrib::DistViolationContrib ( ForceFields::ForceField owner,
unsigned int  idx1,
unsigned int  idx2,
double  ub,
double  lb,
double  weight = 1.0 
)

Constructor.

Parameters
ownerpointer to the owning ForceField
idx1index of end1 in the ForceField's positions
idx2index of end2 in the ForceField's positions
ubUpper bound on the distance
lbLower bound on the distance
weightoptional weight for this contribution

Member Function Documentation

virtual DistViolationContrib* DistGeom::DistViolationContrib::copy ( ) const
inlinevirtual

return a copy

Implements ForceFields::ForceFieldContrib.

Definition at line 39 of file DistViolationContrib.h.

References DistViolationContrib().

double DistGeom::DistViolationContrib::getEnergy ( double *  pos) const
virtual

returns our contribution to the energy of a position

Implements ForceFields::ForceFieldContrib.

Referenced by DistViolationContrib().

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

calculates our contribution to the gradients of a position

Implements ForceFields::ForceFieldContrib.

Referenced by DistViolationContrib().


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