SubstructLibrary.h File Reference

#include <utility>
#include <RDGeneral/export.h>
#include <GraphMol/RDKitBase.h>
#include <GraphMol/MolPickler.h>
#include <GraphMol/MolBundle.h>
#include <GraphMol/SmilesParse/SmilesParse.h>
#include <GraphMol/SmilesParse/SmilesWrite.h>
#include <GraphMol/Fingerprints/Fingerprints.h>
#include <GraphMol/Substruct/SubstructMatch.h>
#include <DataStructs/ExplicitBitVect.h>
#include <DataStructs/BitOps.h>
#include <GraphMol/MolOps.h>
#include <GraphMol/TautomerQuery/TautomerQuery.h>
#include <GraphMol/GeneralizedSubstruct/XQMol.h>
#include <algorithm>
#include <string>
#include <boost/lexical_cast.hpp>
#include "SubstructLibrarySerialization.h"

Go to the source code of this file.

Classes
class	RDKit::MolHolderBase
	Base class API for holding molecules to 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
class	RDKit::TautomerPatternHolder
class	RDKit::KeyHolderBase
class	RDKit::KeyFromPropHolder
class	RDKit::SubstructLibrary
	Substructure Search a library of molecules. More...
struct	RDKit::ExtendedQueryMol

Namespaces
namespace	RDKit
	Std stuff.

Functions
RDKIT_SUBSTRUCTLIBRARY_EXPORT bool	RDKit::SubstructLibraryCanSerialize ()