RingOverlap

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org.xmlcml.cml.topology
Interface RingOverlap

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

org.xmlcml.cml.subset.AtomSet getAtomSet()
          get the atoms in the overlap

org.xmlcml.cml.subset.BondSet getBondSet()
          get the bonds in the overlap

org.xmlcml.cml.CMLAtom 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

See Also:: Constant Field Values

FUSED

public static final int FUSED

rings are fused (one bond in common)

See Also:: Constant Field Values

BRIDGED

public static final int BRIDGED

rings are fused (two or more bonds in common)

See Also:: Constant Field Values

typeString

public static final java.lang.String[] typeString

Method Detail

getAtomSet

public org.xmlcml.cml.subset.AtomSet getAtomSet()

get the atoms in the overlap

getBondSet

public org.xmlcml.cml.subset.BondSet getBondSet()

get the bonds in the overlap

getOrderedBondVector

public java.util.Vector getOrderedBondVector()

get the ordered bonds in the overlap

getOtherRing

public Ring getOtherRing(Ring ring)

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

getBridgeheadAtom

public org.xmlcml.cml.CMLAtom getBridgeheadAtom(int i)

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