RDKit
Open-source cheminformatics and machine learning.
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RDKit::SynthonSpaceSearch::SynthonSpaceSearcher Class Referenceabstract

#include <SynthonSpaceSearcher.h>

Inheritance diagram for RDKit::SynthonSpaceSearch::SynthonSpaceSearcher:
RDKit::SynthonSpaceSearch::SynthonSpaceFingerprintSearcher RDKit::SynthonSpaceSearch::SynthonSpaceSubstructureSearcher

Public Member Functions

 SynthonSpaceSearcher ()=delete
 
 SynthonSpaceSearcher (const ROMol &query, const SynthonSpaceSearchParams &params, SynthonSpace &space)
 
 SynthonSpaceSearcher (const SynthonSpaceSearcher &other)=delete
 
 SynthonSpaceSearcher (SynthonSpaceSearcher &&other)=delete
 
SynthonSpaceSearcheroperator= (const SynthonSpaceSearcher &other)=delete
 
SynthonSpaceSearcheroperator= (SynthonSpaceSearcher &&other)=delete
 
virtual ~SynthonSpaceSearcher ()=default
 
SearchResults search ()
 
SynthonSpacegetSpace () const
 
const ROMolgetQuery () const
 
const SynthonSpaceSearchParamsgetParams () const
 

Detailed Description

Definition at line 29 of file SynthonSpaceSearcher.h.

Constructor & Destructor Documentation

◆ SynthonSpaceSearcher() [1/4]

RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::SynthonSpaceSearcher ( )
delete

◆ SynthonSpaceSearcher() [2/4]

RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::SynthonSpaceSearcher ( const ROMol query,
const SynthonSpaceSearchParams params,
SynthonSpace space 
)
inline

Definition at line 32 of file SynthonSpaceSearcher.h.

◆ SynthonSpaceSearcher() [3/4]

RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::SynthonSpaceSearcher ( const SynthonSpaceSearcher other)
delete

◆ SynthonSpaceSearcher() [4/4]

RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::SynthonSpaceSearcher ( SynthonSpaceSearcher &&  other)
delete

◆ ~SynthonSpaceSearcher()

virtual RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::~SynthonSpaceSearcher ( )
virtualdefault

Member Function Documentation

◆ getParams()

const SynthonSpaceSearchParams & RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::getParams ( ) const
inline

Definition at line 47 of file SynthonSpaceSearcher.h.

◆ getQuery()

const ROMol & RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::getQuery ( ) const
inline

Definition at line 46 of file SynthonSpaceSearcher.h.

◆ getSpace()

SynthonSpace & RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::getSpace ( ) const
inline

Definition at line 45 of file SynthonSpaceSearcher.h.

◆ operator=() [1/2]

SynthonSpaceSearcher & RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::operator= ( const SynthonSpaceSearcher other)
delete

◆ operator=() [2/2]

SynthonSpaceSearcher & RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::operator= ( SynthonSpaceSearcher &&  other)
delete

◆ search()

SearchResults RDKit::SynthonSpaceSearch::SynthonSpaceSearcher::search ( )

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