RDKit::TautomerPatternHolder Class Reference

#include <SubstructLibrary.h>

Inheritance diagram for RDKit::TautomerPatternHolder:

Public Member Functions
	TautomerPatternHolder ()
	TautomerPatternHolder (unsigned int numBits)
ExplicitBitVect *	makeFingerprint (const ROMol &m) const override
	Caller owns the vector!
Public Member Functions inherited from RDKit::PatternHolder
	PatternHolder ()
	PatternHolder (unsigned int numBits)
const unsigned int &	getNumBits () const
unsigned int &	getNumBits ()
Public Member Functions inherited from RDKit::FPHolderBase
virtual	~FPHolderBase ()
virtual unsigned int	size () const
unsigned int	addMol (const ROMol &m)
	Adds a molecule to the fingerprinter.
unsigned int	addFingerprint (ExplicitBitVect *v)
unsigned int	addFingerprint (const ExplicitBitVect &v)
bool	passesFilter (unsigned int idx, const ExplicitBitVect &query) const
	Return false if a substructure search can never match the molecule.
const ExplicitBitVect &	getFingerprint (unsigned int idx) const
std::vector< ExplicitBitVect * > &	getFingerprints ()
const std::vector< ExplicitBitVect * > &	getFingerprints () const

Additional Inherited Members
Static Public Member Functions inherited from RDKit::PatternHolder
static unsigned int	defaultNumBits ()

Detailed Description

Definition at line 337 of file SubstructLibrary.h.

Constructor & Destructor Documentation

TautomerPatternHolder() [1/2]

RDKit::TautomerPatternHolder::TautomerPatternHolder ( )

inline

Definition at line 340 of file SubstructLibrary.h.

TautomerPatternHolder() [2/2]

RDKit::TautomerPatternHolder::TautomerPatternHolder ( unsigned int numBits )

inline

Definition at line 341 of file SubstructLibrary.h.

Member Function Documentation

makeFingerprint()

ExplicitBitVect * RDKit::TautomerPatternHolder::makeFingerprint ( const ROMol & m ) const

inlineoverridevirtual

Caller owns the vector!

Reimplemented from RDKit::PatternHolder.

Definition at line 342 of file SubstructLibrary.h.

References RDKit::PatternFingerprintMol().

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The documentation for this class was generated from the following file:

• SubstructLibrary.h