OEChem - API Manual Version 1.3.1

Previous: 3.34.26 SetSerialNumber Up: 3. OEChem Classes and Next: 3.35.1 Constructors

---

3.35 OESubSearch

class OESubSearch

The OESubSearch class performs substructure searches, also known as subgraph isomorphism determination, on molecular graphs. In a molecular graph, atoms are considered nodes and bonds are edges. The OESubSearch classes is capable of performing both colored and uncolored graph comparison. The 'color' properties of a query graph are stored as expression trees associated with atoms and bonds of a query molecule.

• 3.35.1 Constructors
• 3.35.2 operator =
• 3.35.3 operator bool
• 3.35.4 AddConstraint
• 3.35.5 AtomMatch
• 3.35.6 ClearConstraints
• 3.35.7 GetMaxMatches
• 3.35.8 GetPattern
• 3.35.9 Init
• 3.35.10 Match
• 3.35.11 SingleMatch
• 3.35.12 SetMaxMatches

---

				OEChem - API Manual Version 1.3.1

Previous: 3.34.26 SetSerialNumber Up: 3. OEChem Classes and Next: 3.35.1 Constructors

---

Documentation released on July 30, 2004.