org.xmlcml.tools
Class ChainSetImpl

java.lang.Object
  |
  +--java.util.AbstractCollection
        |
        +--java.util.AbstractSet
              |
              +--java.util.HashSet
                    |
                    +--org.xmlcml.tools.ToolHashSetImpl
                          |
                          +--org.xmlcml.tools.BondSetImpl
                                |
                                +--org.xmlcml.tools.ChainSetImpl

public class ChainSetImpl

extends BondSetImpl

implements ChainSet

See Also:

Serialized Form

Field Summary

protected Molecule

molecule

Fields inherited from class org.xmlcml.tools.BondSetImpl

atomSet

Constructor Summary

ChainSetImpl()

ChainSetImpl(SpanningTree spanningTree, BondSet bondSet)
create a Chain from a BondSet within a SpanningTree.

Method Summary

void	addSubstituent(RingNucleus rn) add RingNucleus substituent
java.util.Vector	getBondsSeparating(Atom atom) gets bondVector separating two atoms (hence get distance)
java.lang.String	toString() create a String

Methods inherited from class org.xmlcml.tools.BondSetImpl

addBond, and, containsAtom, getAtomSet, not, or, xor

Methods inherited from class org.xmlcml.tools.ToolHashSetImpl

and, clone, debug, main, not, or, xor

Methods inherited from class java.util.HashSet

add, clear, contains, isEmpty, iterator, remove, size

Methods inherited from class java.util.AbstractSet

equals, hashCode

Methods inherited from class java.util.AbstractCollection

addAll, containsAll, removeAll, retainAll, toArray, toArray

Methods inherited from class java.lang.Object

finalize, getClass, notify, notifyAll, wait, wait, wait

Field Detail

molecule

protected Molecule molecule

Constructor Detail

ChainSetImpl

public ChainSetImpl()

ChainSetImpl

public ChainSetImpl(SpanningTree spanningTree,
                    BondSet bondSet)
             throws CMLException

create a Chain from a BondSet within a SpanningTree. BondSet contains allowable bonds and successful bonds are then removed from it

Method Detail

getBondsSeparating

public java.util.Vector getBondsSeparating(Atom atom)

gets bondVector separating two atoms (hence get distance)

Specified by:

getBondsSeparating in interface ChainSet

addSubstituent

public void addSubstituent(RingNucleus rn)

add RingNucleus substituent

Specified by:

addSubstituent in interface ChainSet

toString

public java.lang.String toString()

create a String

Overrides:

toString in class BondSetImpl