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

Collaboration diagram for Scine::MolecularMechanics::BondParameters:

Public Member Functions
	BondParameters (double forceConstant, double equilibriumBondLength)
	Constructor. More...

Bond	toMMBond () const
	Method returning the MMBond analogon with the right unit conversions to be used in the calculation.

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

void	setEquilibriumBondLength (const double &eqBoLen)
	Setter for the equilibrium bond length.

double	getForceConstant () const
	Getter for the force constant.

double	getEquilibriumBondLength () const
	Getter for the force constantequilibrium bond length.

Detailed Description

Class containing the parameters for an MM bond.

Constructor & Destructor Documentation

Scine::MolecularMechanics::BondParameters::BondParameters	(	double	forceConstant,
		double	equilibriumBondLength
	)

Constructor.

Parameters

forceConstant	Unit: kcal/(mol*(Angstrom^2))
equilibriumBondLength	Unit: Angstrom

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