Package org.openscience.cdk.isomorphism.matchers

Interface Summary

Interface	Description
IQueryAtom	Defines the ability to be matched against IAtom's.
IQueryAtomContainer	General concept of a IAtomContainer aimed at doing molecular subgraph queries using the UniversalIsomorphismTester.
IQueryBond	Defines the abililty to be matched against IBond's.
IRGroupQuery	Interface definition for Rgroup query classes.

Class Summary

Class	Description
CTFileQueryBond	Deprecated Use Expr.Type.SINGLE_OR_AROMATIC etc.
Expr	A expression stores a predicate tree for checking properties of atoms and bonds.
InverseSymbolSetQueryAtom	Deprecated @deprecated Use new Expr(Element, 6).and(new Expr(Element, 8)).negate() etc
OrderQueryBond	Deprecated
OrderQueryBondOrderOnly	Deprecated Use new QueryBond(beg, end, ORDER, bord)
QueryAtom
QueryAtomContainer
QueryAtomContainerCreator	Utilities for creating queries from 'real' molecules.
QueryBond	Implements the concept of a "query bond" between two or more atoms.
QueryChemObject
RGroup	Represents a single substitute structure in an RGroupList.
RGroupList	Represents a list of Rgroup substitutes to be associated with some RGroupQuery.
RGroupQuery	Represents information contained in a Symyx RGfile (R-group query file). It contains a root structure (the scaffold if you like), a map with R-group definitions (each of which can contain multiple substitutes) and a map with attachment points.
SymbolAndChargeQueryAtom	Deprecated
SymbolChargeIDQueryAtom
SymbolQueryAtom	Deprecated
SymbolSetQueryAtom	Deprecated Use new Expr(Element, 6).and(new Expr(Element, 8)) etc

Enum Summary

Enum	Description
CTFileQueryBond.Type
Expr.Type	Types of expression, for use in the Expr tree object.