RDKit::SynthonSpaceSearch::SearchResults Class Reference

#include <SearchResults.h>

Public Member Functions
	SearchResults ()
	SearchResults (std::vector< std::unique_ptr< ROMol > > &&mols, std::uint64_t maxNumRes, bool timedOut, bool cancelled)
	SearchResults (const SearchResults &other)
	SearchResults (SearchResults &&other)=default
	~SearchResults ()=default
SearchResults &	operator= (const SearchResults &other)
SearchResults &	operator= (SearchResults &&other)=default
std::uint64_t	getMaxNumResults () const
const std::vector< std::unique_ptr< ROMol > > &	getHitMolecules () const
bool	getTimedOut () const
bool	getCancelled () const
void	mergeResults (SearchResults &other)

Detailed Description

Definition at line 22 of file SearchResults.h.

Constructor & Destructor Documentation

SearchResults() [1/4]

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

inlineexplicit

Definition at line 24 of file SearchResults.h.

SearchResults() [2/4]

RDKit::SynthonSpaceSearch::SearchResults::SearchResults	(	std::vector< std::unique_ptr< ROMol > > &&	mols,
		std::uint64_t	maxNumRes,
		bool	timedOut,
		bool	cancelled
	)

SearchResults() [3/4]

RDKit::SynthonSpaceSearch::SearchResults::SearchResults

(

const SearchResults &

other

)

SearchResults() [4/4]

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

default

~SearchResults()

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

default

Member Function Documentation

getCancelled()

bool RDKit::SynthonSpaceSearch::SearchResults::getCancelled ( ) const

inline

Returns whether the search was cancelled or not,

Returns

bool

Definition at line 62 of file SearchResults.h.

getHitMolecules()

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

inline

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

Returns

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

Definition at line 49 of file SearchResults.h.

getMaxNumResults()

std::uint64_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 42 of file SearchResults.h.

getTimedOut()

bool RDKit::SynthonSpaceSearch::SearchResults::getTimedOut ( ) const

inline

Returns whether the search timed out or not,

Returns

bool

Definition at line 57 of file SearchResults.h.

mergeResults()

void RDKit::SynthonSpaceSearch::SearchResults::mergeResults

(

SearchResults &

other

)

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