RDKit
Open-source cheminformatics and machine learning.
SubstructLibrary.h File Reference

Go to the source code of this file.

Classes

class  RDKit::MolHolderBase
 Base class API for holding molecules so substructure search. More...
 
class  RDKit::MolHolder
 Concrete class that holds molecules in memory. More...
 
class  RDKit::CachedMolHolder
 Concrete class that holds binary cached molecules in memory. More...
 
class  RDKit::CachedSmilesMolHolder
 Concrete class that holds smiles strings in memory. More...
 
class  RDKit::CachedTrustedSmilesMolHolder
 Concrete class that holds trusted smiles strings in memory. More...
 
class  RDKit::FPHolderBase
 Base FPI for the fingerprinter used to rule out impossible matches. More...
 
class  RDKit::PatternHolder
 Uses the pattern fingerprinter to rule out matches. More...
 
class  RDKit::SubstructLibrary
 Substtructure Search a library of molecules. More...
 

Namespaces

 RDKit
 Std stuff.