ForceFields::AngleConstraintContribsParams Struct Reference

#include <AngleConstraints.h>

Public Member Functions
	AngleConstraintContribsParams (unsigned int idx1, unsigned int idx2, unsigned int idx3, double minAngle, double maxAngle, double forceConstant=1.0)

Public Attributes
unsigned int	idx1 {0}
	index of atom1 of the angle constraint
unsigned int	idx2 {0}
	index of atom2 of the angle constraint
unsigned int	idx3 {0}
	index of atom3 of the angle constraint
double	minAngle {0.0}
	lower bound of the flat bottom potential
double	maxAngle {0.0}
	upper bound of the flat bottom potential
double	forceConstant {1.0}
	force constant for angle constraint

Detailed Description

Definition at line 21 of file AngleConstraints.h.

Constructor & Destructor Documentation

AngleConstraintContribsParams()

ForceFields::AngleConstraintContribsParams::AngleConstraintContribsParams ( unsigned int  idx1, unsigned int  idx2, unsigned int  idx3, double  minAngle, double  maxAngle, double  forceConstant = 1.0  )

inline

Definition at line 28 of file AngleConstraints.h.

Member Data Documentation

forceConstant

double ForceFields::AngleConstraintContribsParams::forceConstant {1.0}

force constant for angle constraint

Definition at line 27 of file AngleConstraints.h.

idx1

unsigned int ForceFields::AngleConstraintContribsParams::idx1 {0}

index of atom1 of the angle constraint

Definition at line 22 of file AngleConstraints.h.

idx2

unsigned int ForceFields::AngleConstraintContribsParams::idx2 {0}

index of atom2 of the angle constraint

Definition at line 23 of file AngleConstraints.h.

idx3

unsigned int ForceFields::AngleConstraintContribsParams::idx3 {0}

index of atom3 of the angle constraint

Definition at line 24 of file AngleConstraints.h.

maxAngle

double ForceFields::AngleConstraintContribsParams::maxAngle {0.0}

upper bound of the flat bottom potential

Definition at line 26 of file AngleConstraints.h.

minAngle

double ForceFields::AngleConstraintContribsParams::minAngle {0.0}

lower bound of the flat bottom potential

Definition at line 25 of file AngleConstraints.h.

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

• AngleConstraints.h