PBond Class Reference

#include <PBond.h>

List of all members.

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Detailed Description

Encapsulates a bond between two atoms. Contains pointers to the two bonded atoms and a binary bit indicating whether the bond is a degree of freedom.

Public Member Functions
	PBond (PAtom *a1, PAtom *a2, bool isDOF)
Real	getLength ()
void	traverseChain (BondDirection dir, AtomFunctor *atomFn, BondFunctor *bondFn, PChain *rootChain)
void	traverseAtoms (BondDirection dir, AtomFunctor *atomFn, PChain *rootChain)
void	traverseBonds (BondDirection dir, BondFunctor *bondFn, PChain *rootChain)
void	Rotate (BondDirection dir, float degrees, PChain *chain)
void	Rotate (BondDirection dir, float degrees)
PAtom *	getAtom1 () const
PAtom *	getAtom2 () const
PAtom *	getAtom (BondDirection dir) const
bool	isDOF () const
Friends
struct	DOFCacher

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Constructor & Destructor Documentation

PBond::PBond	(	PAtom *	a1,
		PAtom *	a2,
		bool	isDOF
	)			[inline]

Constructs a new PBond.

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Member Function Documentation

Real PBond::getLength

(

)

Returns the length of this bond.

void PBond::traverseChain	(	BondDirection	dir,
		AtomFunctor *	atomFn,
		BondFunctor *	bondFn,
		PChain *	rootChain
	)

Initiates a traversal of the graph of atoms and bonds in the specified direction, calling the given atom functor at each atom and the given bond functor at each bond.

void PBond::traverseAtoms	(	BondDirection	dir,
		AtomFunctor *	atomFn,
		PChain *	rootChain
	)			[inline]

Initiates a traversal of the graph of atoms and bonds in the specified direction, calling the given atom functor at each atom.

void PBond::traverseBonds	(	BondDirection	dir,
		BondFunctor *	bondFn,
		PChain *	rootChain
	)			[inline]

Initiates a traversal of the graph of atoms and bonds in the specified direction, calling the given bond functor at each bond.

void PBond::Rotate	(	BondDirection	dir,
		float	degrees,
		PChain *	chain
	)

Rotates the chain starting from this bond by the specified number of degrees, moving in the direction indicated by dir, limiting the rotation to "chain".

void PBond::Rotate	(	BondDirection	dir,
		float	degrees
	)

Does a rotation on the smallest common subchain between the two atoms.

PAtom* PBond::getAtom1

(

)

const [inline]

Returns the first atom in the bond.

PAtom* PBond::getAtom2

(

)

const [inline]

Returns the second atom in the bond.

PAtom * PBond::getAtom

(

BondDirection

dir

)

const

Returns the bonded atom in the specified direction.

bool PBond::isDOF

(

)

const [inline]

Returns true if this bond is a degree of freedom, false otherwise.

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Friends And Related Function Documentation

friend struct DOFCacher [friend]

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

• src/core/PBond.h
• src/core/PBond.cc

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