Class containing the parameters for an MM angle. More...

Collaboration diagram for Scine::MolecularMechanics::AngleParameters:

Public Member Functions
	AngleParameters (double forceConstant, double equilibriumAngle)
	Constructor. More...

Angle	toMMAngle () const
	Method returning the MMAngle analogon with the right unit conversion to be used in the calculation.

void	setForceConstant (const double &fc)
	Setter for the force constant.

void	setEquilibriumAngle (const double &eqAng)
	Setter for the equilibrium angle.

double	getForceConstant () const
	Getter for the force constant.

double	getEquilibriumAngle () const
	Getter for the equilibrium angle.

Detailed Description

Class containing the parameters for an MM angle.

Constructor & Destructor Documentation

Scine::MolecularMechanics::AngleParameters::AngleParameters	(	double	forceConstant,
		double	equilibriumAngle
	)

Constructor.

Parameters

forceConstant	Unit: kcal/(mol*(rad^2))
equilibriumAngle	Unit: degrees

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