RDKit::SynthonSpaceSearch::SearchResults Class Reference

#include <SearchResults.h>

Public Member Functions
	SearchResults ()
	SearchResults (std::vector< std::unique_ptr< ROMol > > &&mols, size_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
size_t	getMaxNumResults () const
const std::vector< std::unique_ptr< ROMol > > &	getHitMolecules () const
bool	getTimedOut () const
bool	getCancelled () 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, bool  timedOut, bool  cancelled  )

inline

Definition at line 67 of file SearchResults.h.

SearchResults() [3/4]

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

inline

Definition at line 75 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

getCancelled()

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

inline

Returns whether the search was cancelled or not,

Returns

bool

Definition at line 58 of file SearchResults.h.

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 45 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 38 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 53 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