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 | Description |
---|---|
CTFileQueryBond |
Captures query bond types defined in the CTFile.
|
InverseSymbolSetQueryAtom |
A QueryAtom that matches all symbols but those in this container.
|
OrderQueryBond | |
OrderQueryBondOrderOnly |
IQueryBond that matches IBond object only based on bond order, and
disregarding any aromaticity flag. |
QueryAtom | |
QueryAtomContainer | |
QueryAtomContainerCreator | |
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 | |
SymbolChargeIDQueryAtom | |
SymbolQueryAtom | |
SymbolSetQueryAtom |
A QueryAtom that matches all symbols in this container.
|
Enum | Description |
---|---|
CTFileQueryBond.Type |
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