Ring

Overview

Package

Class

Use

Deprecated

Index

Home >> All >> org >> xmlcml >> cml >> [ topology overview ]

PREV CLASS NEXT CLASS

SUMMARY:

JAVADOC |

Sourc code of org.xmlcml.cml.topology.Ring

SOURCE |

DOWNLOAD | NESTED | FIELD | CONSTR | METHOD

DETAIL: FIELD | CONSTR | METHOD

org.xmlcml.cml.topology
Interface Ring

All Superinterfaces:: org.xmlcml.cml.subset.BondSet, java.lang.Cloneable, org.xmlcml.cml.subset.ToolHashSet

public interface Ring
extends org.xmlcml.cml.subset.BondSet

Method Summary

void addRingOverlap(RingOverlap ringOverlap)


org.xmlcml.cml.subset.BondSet and(Ring ring)
          create a new ring as the AND of this and ring (i.e.

void calculateCoordinates()
          calculate Coordinates

org.xmlcml.cml.CMLCoordinate2 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.

RingNucleus getRingNucleus()
          Rings may be associated with (no more than) one RingNucleus

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.cml.subset.BondSet

addBond, addSubstituent, and, contains, containsAtom, getAtomSet, getCoord2, getSubstituentDirection, getSubstitutedAtomMap, not, or, setCoord2, substituentString, transformAndAddTo, transformBy, translateBy, xor

Methods inherited from interface org.xmlcml.cml.subset.ToolHashSet

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

Method Detail

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 org.xmlcml.cml.subset.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()

Description copied from interface: org.xmlcml.cml.subset.BondSet

calculate Coordinates

Specified by:: calculateCoordinates in interface org.xmlcml.cml.subset.BondSet

getCentroid

public org.xmlcml.cml.CMLCoordinate2 getCentroid()

getRingOverlapVector

public java.util.Vector getRingOverlapVector()

getRingNucleus

public RingNucleus getRingNucleus()

Rings may be associated with (no more than) one RingNucleus

addRingOverlap

public void addRingOverlap(RingOverlap ringOverlap)