org.xmlcml.tools
Interface Ring

All Known Implementing Classes:

RingImpl

public interface Ring

extends BondSet

Method Summary

void	addBond(Bond bond) add a bond, checking for nullity and duplicates
void	addRingOverlap(RingOverlap ringOverlap)
BondSet	and(Ring ring) create a new ring as the AND of this and ring (i.e.
void	calculateCoordinates(Real2 repelPoint) calculate coordinates of a ring through two points.
void	calculateCoordinates(Ring overlapRing) stores knowledge of what rings are neighbours ?????
Real2	getCentroid()
java.util.Vector	getCyclicAtomVector() returns an ordered list of atoms corresponding to traversal of the ring
java.util.Vector	getCyclicBondVector() ordered cycle of bonds (e.g.
java.lang.String	getId()
java.util.Vector	getRingOverlapVector()
Ring	xor(Ring ring) create a new ring as the XOR of this and ring (i.e.

Methods inherited from interface org.xmlcml.tools.BondSet

and, containsAtom, getAtomSet, not, or, xor

Methods inherited from interface org.xmlcml.tools.ToolHashSet

add, addAll, and, clone, contains, debug, iterator, not, or, remove, removeAll, retainAll, size, xor

Method Detail

addBond

public void addBond(Bond bond)
             throws CMLException

Description copied from interface: BondSet

add a bond, checking for nullity and duplicates

Specified by:

addBond in interface BondSet

xor

public Ring xor(Ring ring)

create a new ring as the XOR of this and ring (i.e. formed from bonds NOT in common)

and

public BondSet and(Ring ring)

create a new ring as the AND of this and ring (i.e. formed from bonds in common)

getCyclicBondVector

public java.util.Vector getCyclicBondVector()

ordered cycle of bonds (e.g. for creating Polygon). Starts at bond, if bond is part of ring, else arbitrary point. The second bond contains bond.atom2 and so on.

getCyclicAtomVector

public java.util.Vector getCyclicAtomVector()

returns an ordered list of atoms corresponding to traversal of the ring

calculateCoordinates

public void calculateCoordinates(Ring overlapRing)

stores knowledge of what rings are neighbours ?????

calculateCoordinates

public void calculateCoordinates(Real2 repelPoint)

calculate coordinates of a ring through two points. If offset = 0 or 1 these points are assumed to be adjacent, else the separation is by offset number of atoms (e.g. offset = 2 implies point[0] and point[2]). The result is an arrary of Points which is NOT applied to the coordinate table.

getCentroid

public Real2 getCentroid()

getRingOverlapVector

public java.util.Vector getRingOverlapVector()

addRingOverlap

public void addRingOverlap(RingOverlap ringOverlap)

getId

public java.lang.String getId()