PBond Class Reference

#include <PBond.h>

List of all members.


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)
PAtomgetAtom1 () const
PAtomgetAtom2 () const
PAtomgetAtom (BondDirection dir) const
bool isDOF () const

Friends

struct DOFCacher


Constructor & Destructor Documentation

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

Constructs a new PBond.


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.


Friends And Related Function Documentation

friend struct DOFCacher [friend]


The documentation for this class was generated from the following files:
Generated on Wed May 16 20:22:13 2007 for LoopTK: Protein Loop Kinematic Toolkit by  doxygen 1.5.1