org.xmlcml.tools
Interface RingOverlap

All Known Implementing Classes:

RingOverlapImpl

public interface RingOverlap

holds information about overlap between two rings (fused or bridged). At present propellanes will give three distinct RingOverlaps - I shall probably change this.

Field Summary

static int	BRIDGED rings are fused (two or more bonds in common)
static int	FUSED rings are fused (one bond in common)
static java.lang.String[]	typeString
static int	UNKNOWN state is unknown

Method Summary

AtomSet	getAtomSet() get the atoms in the overlap
BondSet	getBondSet() get the bonds in the overlap
Atom	getBridgeheadAtom(int i) returns atoms at end o bridgehead (i=0 or i=1)
java.util.Vector	getOrderedBondVector() get the ordered bonds in the overlap
Ring	getOtherRing(Ring ring) if exactly two rings, return the other one.

Field Detail

UNKNOWN

public static final int UNKNOWN

state is unknown

FUSED

public static final int FUSED

rings are fused (one bond in common)

BRIDGED

public static final int BRIDGED

rings are fused (two or more bonds in common)

typeString

public static final java.lang.String[] typeString

Method Detail

getAtomSet

public AtomSet getAtomSet()

get the atoms in the overlap

Returns:

AtomSet the atoms (unordered)

getBondSet

public BondSet getBondSet()

get the bonds in the overlap

Returns:

BondSet the bonds (unordered)

getOrderedBondVector

public java.util.Vector getOrderedBondVector()

get the ordered bonds in the overlap

Returns:

Vector the bonds (ordered)

getOtherRing

public Ring getOtherRing(Ring ring)

if exactly two rings, return the other one. If none, return null

getBridgeheadAtom

public Atom getBridgeheadAtom(int i)

returns atoms at end o bridgehead (i=0 or i=1)