RDKit::SynthonSpaceSearch::SynthonSpaceShapeHitSet Struct Reference

#include <SynthonSpaceHitSet.h>

Inheritance diagram for RDKit::SynthonSpaceSearch::SynthonSpaceShapeHitSet:

Public Member Functions
	SynthonSpaceShapeHitSet ()=delete
	SynthonSpaceShapeHitSet (const SynthonSet &reaction, const std::vector< std::vector< size_t > > &stu, const std::vector< std::shared_ptr< ROMol > > &fragSet, const std::vector< SynthonShapeInput * > &fShapes, const std::vector< unsigned int > &sSetOrder)
	SynthonSpaceShapeHitSet (const SynthonSpaceShapeHitSet &lhs)=delete
	SynthonSpaceShapeHitSet (SynthonSpaceShapeHitSet &&lhs)=delete
	~SynthonSpaceShapeHitSet () override=default
SynthonSpaceShapeHitSet &	operator= (const SynthonSpaceShapeHitSet &rhs)=delete
SynthonSpaceShapeHitSet &	operator= (SynthonSpaceShapeHitSet &&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::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
std::vector< SynthonShapeInput * >	fragShapes
std::vector< unsigned int >	synthonSetOrder
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< std::shared_ptr< ROMol > >	frags

Detailed Description

Definition at line 75 of file SynthonSpaceHitSet.h.

Constructor & Destructor Documentation

SynthonSpaceShapeHitSet() [1/4]

RDKit::SynthonSpaceSearch::SynthonSpaceShapeHitSet::SynthonSpaceShapeHitSet ( )

delete

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

SynthonSpaceShapeHitSet() [2/4]

RDKit::SynthonSpaceSearch::SynthonSpaceShapeHitSet::SynthonSpaceShapeHitSet	(	const SynthonSet &	reaction,
		const std::vector< std::vector< size_t > > &	stu,
		const std::vector< std::shared_ptr< ROMol > > &	fragSet,
		const std::vector< SynthonShapeInput * > &	fShapes,
		const std::vector< unsigned int > &	sSetOrder )

SynthonSpaceShapeHitSet() [3/4]

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

delete

References SynthonSpaceShapeHitSet().

SynthonSpaceShapeHitSet() [4/4]

RDKit::SynthonSpaceSearch::SynthonSpaceShapeHitSet::SynthonSpaceShapeHitSet ( SynthonSpaceShapeHitSet && lhs )

delete

References SynthonSpaceShapeHitSet().

~SynthonSpaceShapeHitSet()

RDKit::SynthonSpaceSearch::SynthonSpaceShapeHitSet::~SynthonSpaceShapeHitSet ( )

overridedefault

Member Function Documentation

operator=() [1/2]

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

delete

References SynthonSpaceShapeHitSet().

operator=() [2/2]

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

delete

References SynthonSpaceShapeHitSet().

Member Data Documentation

fragShapes

std::vector<SynthonShapeInput *> RDKit::SynthonSpaceSearch::SynthonSpaceShapeHitSet::fragShapes

Definition at line 92 of file SynthonSpaceHitSet.h.

synthonSetOrder

std::vector<unsigned int> RDKit::SynthonSpaceSearch::SynthonSpaceShapeHitSet::synthonSetOrder

Definition at line 95 of file SynthonSpaceHitSet.h.

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

• SynthonSpaceHitSet.h