astex
Class Ring

java.lang.Object
  astex.generic.Generic
      astex.Ring

All Implemented Interfaces:

GenericInterface

public class Ring
extends Generic

Class for holding information about ring systems in molecular structures.

Field Summary

Fields inherited from class astex.generic.Generic

ClassName

Fields inherited from interface astex.generic.GenericInterface

Name

Method Summary

void	addAtom(Atom a) Add an atom to the ring.
void	addBond(Bond b) Add a bond to the ring.
boolean	contains(Atom queryAtom) Does this ring contain the specified atom?
boolean	contains(Bond queryBond) Does this ring contain the specified bond?
static Ring	create() Create a ring.
Atom	getAtom(int index) Get an atom.
int	getAtomCount() Return the atom count.
int	getAtomIndex(Atom queryAtom) Return the index of the atom in the ring or -1 if not present.
Bond	getBond(int index) Get a bond.
int	getBondCount() Return the bond count.
Point3d	getRingCenter() Get the ring center.
boolean	isAromatic() Is this ring aromatic?
boolean	isPlanar() Is this ring planar, but not necessarily aromatic.

Methods inherited from class astex.generic.Generic

addChild, addListener, addParent, get, getBoolean, getChildren, getClassname, getDouble, getInteger, getParents, getProperties, getString, main, removeChild, removeListener, removeParent, set, setBoolean, setClassname, setDouble, setInteger, setString

Methods inherited from class java.lang.Object

equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Method Detail

create

public static Ring create()

Create a ring.

addAtom

public void addAtom(Atom a)

Add an atom to the ring.

addBond

public void addBond(Bond b)

Add a bond to the ring.

getAtom

public Atom getAtom(int index)

Get an atom.

getBond

public Bond getBond(int index)

Get a bond.

getAtomCount

public int getAtomCount()

Return the atom count.

getBondCount

public int getBondCount()

Return the bond count.

contains

public boolean contains(Atom queryAtom)

Does this ring contain the specified atom?

contains

public boolean contains(Bond queryBond)

Does this ring contain the specified bond?

getAtomIndex

public int getAtomIndex(Atom queryAtom)

Return the index of the atom in the ring or -1 if not present.

isPlanar

public boolean isPlanar()

Is this ring planar, but not necessarily aromatic.

isAromatic

public boolean isAromatic()

Is this ring aromatic?

getRingCenter

public Point3d getRingCenter()

Get the ring center.