Defines the ability to be matched against
General concept of a IAtomContainer aimed at doing molecular subgraph queries using the UniversalIsomorphismTester.
Defines the abililty to be matched against IBond's.
Interface definition for Rgroup query classes.
Captures query bond types defined in the CTFile.
A QueryAtom that matches all symbols but those in this container.
Implements the concept of a "query bond" between two or more atoms.
Represents a single substitute structure in an
Represents a list of Rgroup substitutes to be associated with some
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.
A QueryAtom that matches all symbols in this container.
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