RDKit::SynthonSpaceSearch::SynthonSpaceHitSet Struct Reference

#include <SynthonSpaceHitSet.h>

Inheritance diagram for RDKit::SynthonSpaceSearch::SynthonSpaceHitSet:

Public Member Functions
	SynthonSpaceHitSet ()=delete
	SynthonSpaceHitSet (const SynthonSet &reaction, const std::vector< std::vector< size_t > > &stu, const std::vector< std::shared_ptr< ROMol > > &fragSet)
	SynthonSpaceHitSet (const SynthonSpaceHitSet &lhs)=delete
	SynthonSpaceHitSet (SynthonSpaceHitSet &&lhs)=delete
virtual	~SynthonSpaceHitSet ()=default
SynthonSpaceHitSet &	operator= (const SynthonSpaceHitSet &rhs)=delete
SynthonSpaceHitSet &	operator= (SynthonSpaceHitSet &&rhs)=delete

Public Attributes
const SynthonSet *	d_reaction {nullptr}
std::vector< std::vector< std::pair< std::string, const Synthon * > > >	synthonsToUse
size_t	numHits {0}
std::vector< std::shared_ptr< ROMol > >	frags

Detailed Description

Definition at line 27 of file SynthonSpaceHitSet.h.

Constructor & Destructor Documentation

SynthonSpaceHitSet() [1/4]

RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::SynthonSpaceHitSet ( )

delete

Referenced by operator=(), operator=(), SynthonSpaceHitSet(), and SynthonSpaceHitSet().

SynthonSpaceHitSet() [2/4]

RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::SynthonSpaceHitSet	(	const SynthonSet &	reaction,
		const std::vector< std::vector< size_t > > &	stu,
		const std::vector< std::shared_ptr< ROMol > > &	fragSet )

SynthonSpaceHitSet() [3/4]

RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::SynthonSpaceHitSet ( const SynthonSpaceHitSet & lhs )

delete

References SynthonSpaceHitSet().

SynthonSpaceHitSet() [4/4]

RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::SynthonSpaceHitSet ( SynthonSpaceHitSet && lhs )

delete

References SynthonSpaceHitSet().

~SynthonSpaceHitSet()

virtual RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::~SynthonSpaceHitSet ( )

virtualdefault

Member Function Documentation

operator=() [1/2]

SynthonSpaceHitSet & RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::operator= ( const SynthonSpaceHitSet & rhs )

delete

References SynthonSpaceHitSet().

operator=() [2/2]

SynthonSpaceHitSet & RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::operator= ( SynthonSpaceHitSet && rhs )

delete

References SynthonSpaceHitSet().

Member Data Documentation

d_reaction

const SynthonSet* RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::d_reaction {nullptr}

Definition at line 38 of file SynthonSpaceHitSet.h.

frags

std::vector<std::shared_ptr<ROMol> > RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::frags

Definition at line 50 of file SynthonSpaceHitSet.h.

numHits

size_t RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::numHits {0}

Definition at line 46 of file SynthonSpaceHitSet.h.

synthonsToUse

std::vector<std::vector<std::pair<std::string, const Synthon *> > > RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::synthonsToUse

Definition at line 45 of file SynthonSpaceHitSet.h.

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

• SynthonSpaceHitSet.h