RDKit::SynthonSpaceSearch::SearchResults Class Reference

#include <SearchResults.h>

Public Member Functions
	SearchResults ()
	SearchResults (std::vector< std::unique_ptr< ROMol > > &&mols, size_t maxNumRes)
	SearchResults (const SearchResults &other)
	SearchResults (SearchResults &&other)=default
	~SearchResults ()=default
SearchResults &	operator= (const SearchResults &other)
SearchResults &	operator= (SearchResults &&other)=default
size_t	getMaxNumResults () const
const std::vector< std::unique_ptr< ROMol > > &	getHitMolecules () const

Detailed Description

Definition at line 18 of file SearchResults.h.

Constructor & Destructor Documentation

SearchResults() [1/4]

RDKit::SynthonSpaceSearch::SearchResults::SearchResults ( )

inlineexplicit

Definition at line 20 of file SearchResults.h.

SearchResults() [2/4]

RDKit::SynthonSpaceSearch::SearchResults::SearchResults ( std::vector< std::unique_ptr< ROMol > > &&  mols, size_t  maxNumRes  )

inline

Definition at line 53 of file SearchResults.h.

SearchResults() [3/4]

RDKit::SynthonSpaceSearch::SearchResults::SearchResults ( const SearchResults &  other )

inline

Definition at line 60 of file SearchResults.h.

References RDKit::rdvalue_is().

SearchResults() [4/4]

RDKit::SynthonSpaceSearch::SearchResults::SearchResults ( SearchResults &&  other )

default

~SearchResults()

RDKit::SynthonSpaceSearch::SearchResults::~SearchResults ( )

default

Member Function Documentation

getHitMolecules()

const std::vector< std::unique_ptr< ROMol > > & RDKit::SynthonSpaceSearch::SearchResults::getHitMolecules ( ) const

inline

Returns the hits from the search. Not necessarily all those possible, just the maximum number requested.

Returns

std::vector<std::unique_ptr<ROMol>>

Definition at line 44 of file SearchResults.h.

getMaxNumResults()

size_t RDKit::SynthonSpaceSearch::SearchResults::getMaxNumResults ( ) const

inline

Returns the upper bound on the number of results the search might return. There may be fewer than this in practice for several reasons such as duplicate reagent sets being removed or the final product not matching the query even though the synthons suggested it would.

Returns

int

Definition at line 37 of file SearchResults.h.

operator=() [1/2]

SearchResults & RDKit::SynthonSpaceSearch::SearchResults::operator=

(

const SearchResults &

other

)

operator=() [2/2]

SearchResults & RDKit::SynthonSpaceSearch::SearchResults::operator= ( SearchResults &&  other )

default

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

• SearchResults.h