Base class for atoms having exactly four covalent bonds. More...

#include <Compound.h>

Inheritance diagram for SimTK::QuadrivalentAtom:

Public Member Functions
	QuadrivalentAtom (const Compound::AtomName &atomName, const Element &element)
	QuadrivalentAtom (const Compound::AtomName &atomName, const Element &element, Angle bond12Angle, Angle bond13Angle, Angle bond14Angle, Angle dihedral3, Angle dihedral4)

Detailed Description

Base class for atoms having exactly four covalent bonds.

Bond centers are named "bond1", "bond2", "bond3", and "bond4"

Constructor & Destructor Documentation

SimTK::QuadrivalentAtom::QuadrivalentAtom	(	const Compound::AtomName &	atomName,
		const Element &	element
	)		`[inline]`

Parameters:

atomName	name for new atom
element	chemical element for new atom

SimTK::QuadrivalentAtom::QuadrivalentAtom	(	const Compound::AtomName &	atomName,
		const Element &	element,
		Angle	bond12Angle,
		Angle	bond13Angle,
		Angle	bond14Angle,
		Angle	dihedral3,
		Angle	dihedral4
	)		`[inline]`

Parameters:

atomName	name for new atom
element	chemical element for new atom
bond12Angle	bond angle in radians between bond center 1 and bond center 2
bond13Angle	bond angle in radians between bond center 1 and bond center 3
bond14Angle	bond angle in radians between bond center 1 and bond center 4
dihedral3	dihedral angle of bond center 3, relative to dihedral of bond center 2
dihedral4	dihedral angle of bond center 4, relative to dihedral of bond center 2

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