OEChem - API Manual Version 1.3.1

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3.31 OEQMolBase

class OEQMolBase : public OEMolBase

OEQMolBase is an abstract class that extends OEMolBase and provides facilities useful in graph matching. Query molecules are used in matching operations such as substructure search, clique detection, and maximum common substructure search. Query expressions (Section 3.9) stored in query atoms and query bonds are used to represent the boolean logic used in graph matching operations. Query molecules conveniently collect query atoms and query bonds into a molecule suitable for use as a query graph in matching operations. As a derived type of OEMolBase, query molecules are valid arguments for functions which take a base molecule class as an argument.

• 3.31.1 operator=
• 3.31.2 operator +=
• 3.31.3 BuildExpressions
• 3.31.4 GetQAtoms
• 3.31.5 GetQBonds

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				OEChem - API Manual Version 1.3.1

Previous: 3.30.6 QMol Up: 3. OEChem Classes and Next: 3.31.1 operator=

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Documentation released on July 30, 2004.