RDKit
Open-source cheminformatics and machine learning.
RDKit::PatternHolder Class Reference

Uses the pattern fingerprinter to rule out matches. More...

#include <SubstructLibrary.h>

Inheritance diagram for RDKit::PatternHolder:
RDKit::FPHolderBase

Public Member Functions

virtual ExplicitBitVectmakeFingerprint (const ROMol &m) const
 Caller owns the vector! More...
 
- Public Member Functions inherited from RDKit::FPHolderBase
virtual ~FPHolderBase ()
 
unsigned int addMol (const ROMol &m)
 Adds a molecule to the fingerprinter. More...
 
unsigned int addFingerprint (const ExplicitBitVect &v)
 Adds a raw bit vector to the fingerprinter. More...
 
bool passesFilter (unsigned int idx, const ExplicitBitVect &query) const
 Return false if a substructure search can never match the molecule. More...
 
const ExplicitBitVectgetFingerprint (unsigned int idx) const
 

Detailed Description

Uses the pattern fingerprinter to rule out matches.

Definition at line 258 of file SubstructLibrary.h.

Member Function Documentation

◆ makeFingerprint()

virtual ExplicitBitVect* RDKit::PatternHolder::makeFingerprint ( const ROMol m) const
inlinevirtual

Caller owns the vector!

Implements RDKit::FPHolderBase.

Definition at line 261 of file SubstructLibrary.h.

References RDKit::PatternFingerprintMol().


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