QuadrivalentAtom Class Reference

#include <Compound.h>

Inheritance diagram for QuadrivalentAtom:

List of all members.

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Detailed Description

Base class for atoms having exactly four covalent bonds.

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

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)

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Constructor & Destructor Documentation

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

Parameters:

atomName	name for new atom
element	chemical element for new atom

References Compound::addFirstBondCenter(), Compound::addLeftHandedBondCenter(), Compound::addRightHandedBondCenter(), Compound::addSecondBondCenter(), Compound::setCompoundName(), and Compound::setInboardBondCenter().

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

References Compound::addFirstBondCenter(), Compound::addLeftHandedBondCenter(), Compound::addRightHandedBondCenter(), Compound::addSecondBondCenter(), SimTK::dot(), Compound::setCompoundName(), and Compound::setInboardBondCenter().

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

• Compound.h