RDKit::SynthonSpaceSearch::SynthonSpaceFPHitSet Struct Reference

#include <SynthonSpaceHitSet.h>

Inheritance diagram for RDKit::SynthonSpaceSearch::SynthonSpaceFPHitSet:

Public Member Functions
	SynthonSpaceFPHitSet ()=delete
	SynthonSpaceFPHitSet (const SynthonSet &reaction, const std::vector< std::vector< size_t > > &stu, const std::vector< std::unique_ptr< ROMol > > &fragSet)
	SynthonSpaceFPHitSet (const SynthonSpaceFPHitSet &lhs)=delete
	SynthonSpaceFPHitSet (SynthonSpaceFPHitSet &&lhs)=delete
	~SynthonSpaceFPHitSet () override=default
SynthonSpaceFPHitSet &	operator= (const SynthonSpaceFPHitSet &rhs)=delete
SynthonSpaceFPHitSet &	operator= (SynthonSpaceFPHitSet &&rhs)=delete
Public Member Functions inherited from RDKit::SynthonSpaceSearch::SynthonSpaceHitSet
	SynthonSpaceHitSet ()=delete
	SynthonSpaceHitSet (const SynthonSet &reaction, const std::vector< std::vector< size_t > > &stu, const std::vector< std::unique_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
std::vector< std::vector< ExplicitBitVect * > >	synthonFPs
ExplicitBitVect *	addFP
ExplicitBitVect *	subtractFP
Public Attributes inherited from RDKit::SynthonSpaceSearch::SynthonSpaceHitSet
const SynthonSet *	d_reaction {nullptr}
std::vector< std::vector< std::pair< std::string, const Synthon * > > >	synthonsToUse
size_t	numHits {0}
std::vector< const ROMol * >	frags

Detailed Description

Definition at line 53 of file SynthonSpaceHitSet.h.

Constructor & Destructor Documentation

SynthonSpaceFPHitSet() [1/4]

RDKit::SynthonSpaceSearch::SynthonSpaceFPHitSet::SynthonSpaceFPHitSet ( )

delete

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

SynthonSpaceFPHitSet() [2/4]

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

SynthonSpaceFPHitSet() [3/4]

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

delete

References SynthonSpaceFPHitSet().

SynthonSpaceFPHitSet() [4/4]

RDKit::SynthonSpaceSearch::SynthonSpaceFPHitSet::SynthonSpaceFPHitSet ( SynthonSpaceFPHitSet && lhs )

delete

References SynthonSpaceFPHitSet().

~SynthonSpaceFPHitSet()

RDKit::SynthonSpaceSearch::SynthonSpaceFPHitSet::~SynthonSpaceFPHitSet ( )

overridedefault

Member Function Documentation

operator=() [1/2]

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

delete

References SynthonSpaceFPHitSet().

operator=() [2/2]

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

delete

References SynthonSpaceFPHitSet().

Member Data Documentation

addFP

ExplicitBitVect* RDKit::SynthonSpaceSearch::SynthonSpaceFPHitSet::addFP

Definition at line 66 of file SynthonSpaceHitSet.h.

subtractFP

ExplicitBitVect* RDKit::SynthonSpaceSearch::SynthonSpaceFPHitSet::subtractFP

Definition at line 67 of file SynthonSpaceHitSet.h.

synthonFPs

std::vector<std::vector<ExplicitBitVect *> > RDKit::SynthonSpaceSearch::SynthonSpaceFPHitSet::synthonFPs

Definition at line 65 of file SynthonSpaceHitSet.h.

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

• SynthonSpaceHitSet.h