#include <PBond.h>
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 |
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.
friend struct DOFCacher [friend] |