Package org.openscience.cdk.ringsearch
Class RingPartitioner
java.lang.Object
org.openscience.cdk.ringsearch.RingPartitioner
Partitions a RingSet into RingSets of connected rings. Rings which share an
Atom, a Bond or three or more atoms with at least on other ring in the
RingSet are considered connected.
- Source code:
- main
- Belongs to CDK module:
- standard
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Field Summary
Fields -
Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionstatic IAtomContainer
convertToAtomContainer
(IRingSet ringSet) Converts a RingSet to an AtomContainer.partitionRings
(IRingSet ringSet) Partitions a RingSet into RingSets of connected rings.
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Field Details
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debug
public static final boolean debugDebugging on/off- See Also:
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Constructor Details
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RingPartitioner
public RingPartitioner()
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Method Details
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partitionRings
Partitions a RingSet into RingSets of connected rings. Rings which share an Atom, a Bond or three or more atoms with at least on other ring in the RingSet are considered connected. Thus molecules such as azulene and indole will return a List with 1 element.Note that an isolated ring is considered to be self-connect. As a result a molecule such as biphenyl will result in a 2-element List being returned (each element corresponding to a phenyl ring).
- Parameters:
ringSet
- The RingSet to be partitioned- Returns:
- A
List
of connected RingSets
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convertToAtomContainer
Converts a RingSet to an AtomContainer.- Parameters:
ringSet
- The RingSet to be converted.- Returns:
- The AtomContainer containing the bonds and atoms of the ringSet.
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