Package org.openscience.cdk.isomorphism

Class Summary

Class	Description
AtomMappingTools
AtomMatcher	Defines compatibility checking of atoms for (subgraph)-isomorphism mapping.
BondMatcher	Defines compatibility checking of bonds for (subgraph)-isomorphism mapping.
DfPattern	The depth-first (DF) backtracking sub-structure matching algorithm so named because it matches the molecule in a depth-first manner (bond by bond).
IsomorphismTester	A too simplistic implementation of an isomorphism test for chemical graphs.
Mappings	A fluent interface for handling (sub)-graph mappings from a query to a target structure.
Pattern	A structural pattern for finding an exact matching in a target compound.
SmartsStereoMatch	Deprecated
Ullmann	A structure pattern which utilises the Ullmann algorithm (Ullmann J R. Journal of the Association for Computing Machinery. 1976. 23).
UniversalIsomorphismTester	This class implements a multipurpose structure comparison tool.
VentoFoggia	A structure pattern which utilises the Vento-Foggia (VF) algorithm (Cordella Luigi P et. al.. IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE. 2004. 26).