RDKit::GeneralizedSubstruct::ExtendedQueryMol Struct Reference

#include <XQMol.h>

Public Types
enum	ExtendedQueryMolTypes : unsigned char { XQM_MOL = 1 , XQM_MOLBUNDLE = 2 , XQM_TAUTOMERQUERY = 3 , XQM_TAUTOMERBUNDLE = 4 }
using	RWMol_T = std::unique_ptr< RWMol >
using	MolBundle_T = std::unique_ptr< MolBundle >
using	TautomerQuery_T = std::unique_ptr< TautomerQuery >
using	TautomerBundle_T = std::unique_ptr< std::vector< std::unique_ptr< TautomerQuery > > >
using	ContainedType = std::variant< RWMol_T, MolBundle_T, TautomerQuery_T, TautomerBundle_T >

Public Member Functions
	ExtendedQueryMol (std::unique_ptr< RWMol > mol)
	ExtendedQueryMol (std::unique_ptr< MolBundle > bundle)
	ExtendedQueryMol (std::unique_ptr< TautomerQuery > tq)
	ExtendedQueryMol (std::unique_ptr< std::vector< std::unique_ptr< TautomerQuery > > > tqs)
	ExtendedQueryMol (const ExtendedQueryMol &other)
ExtendedQueryMol &	operator= (const ExtendedQueryMol &other)
	ExtendedQueryMol (ExtendedQueryMol &&o) noexcept
	ExtendedQueryMol (const std::string &text, bool isJSON=false)
void	initFromBinary (const std::string &pkl)
void	initFromJSON (const std::string &text)
void	initFromOther (const ExtendedQueryMol &other)
std::string	toBinary () const
std::string	toJSON () const

Public Attributes
ContainedType	xqmol

Detailed Description

Definition at line 31 of file XQMol.h.

Member Typedef Documentation

ContainedType

using RDKit::GeneralizedSubstruct::ExtendedQueryMol::ContainedType = std::variant<RWMol_T, MolBundle_T, TautomerQuery_T, TautomerBundle_T>

Definition at line 43 of file XQMol.h.

MolBundle_T

using RDKit::GeneralizedSubstruct::ExtendedQueryMol::MolBundle_T = std::unique_ptr<MolBundle>

Definition at line 39 of file XQMol.h.

RWMol_T

using RDKit::GeneralizedSubstruct::ExtendedQueryMol::RWMol_T = std::unique_ptr<RWMol>

Definition at line 38 of file XQMol.h.

TautomerBundle_T

using RDKit::GeneralizedSubstruct::ExtendedQueryMol::TautomerBundle_T = std::unique_ptr<std::vector<std::unique_ptr<TautomerQuery> >>

Definition at line 41 of file XQMol.h.

TautomerQuery_T

using RDKit::GeneralizedSubstruct::ExtendedQueryMol::TautomerQuery_T = std::unique_ptr<TautomerQuery>

Definition at line 40 of file XQMol.h.

Member Enumeration Documentation

ExtendedQueryMolTypes

enum RDKit::GeneralizedSubstruct::ExtendedQueryMol::ExtendedQueryMolTypes : unsigned char

Enumerator
XQM_MOL
XQM_MOLBUNDLE
XQM_TAUTOMERQUERY
XQM_TAUTOMERBUNDLE

Definition at line 32 of file XQMol.h.

Constructor & Destructor Documentation

ExtendedQueryMol() [1/7]

RDKit::GeneralizedSubstruct::ExtendedQueryMol::ExtendedQueryMol ( std::unique_ptr< RWMol >  mol )

inline

Definition at line 45 of file XQMol.h.

ExtendedQueryMol() [2/7]

RDKit::GeneralizedSubstruct::ExtendedQueryMol::ExtendedQueryMol ( std::unique_ptr< MolBundle >  bundle )

inline

Definition at line 46 of file XQMol.h.

ExtendedQueryMol() [3/7]

RDKit::GeneralizedSubstruct::ExtendedQueryMol::ExtendedQueryMol ( std::unique_ptr< TautomerQuery >  tq )

inline

Definition at line 48 of file XQMol.h.

ExtendedQueryMol() [4/7]

RDKit::GeneralizedSubstruct::ExtendedQueryMol::ExtendedQueryMol ( std::unique_ptr< std::vector< std::unique_ptr< TautomerQuery > > >  tqs )

inline

Definition at line 49 of file XQMol.h.

ExtendedQueryMol() [5/7]

RDKit::GeneralizedSubstruct::ExtendedQueryMol::ExtendedQueryMol ( const ExtendedQueryMol &  other )

inline

Definition at line 52 of file XQMol.h.

ExtendedQueryMol() [6/7]

RDKit::GeneralizedSubstruct::ExtendedQueryMol::ExtendedQueryMol ( ExtendedQueryMol &&  o )

inlinenoexcept

Definition at line 61 of file XQMol.h.

ExtendedQueryMol() [7/7]

RDKit::GeneralizedSubstruct::ExtendedQueryMol::ExtendedQueryMol	(	const std::string &	text,
		bool	isJSON = false
	)

Member Function Documentation

initFromBinary()

void RDKit::GeneralizedSubstruct::ExtendedQueryMol::initFromBinary

(

const std::string &

pkl

)

initFromJSON()

void RDKit::GeneralizedSubstruct::ExtendedQueryMol::initFromJSON

(

const std::string &

text

)

initFromOther()

void RDKit::GeneralizedSubstruct::ExtendedQueryMol::initFromOther

(

const ExtendedQueryMol &

other

)

operator=()

ExtendedQueryMol & RDKit::GeneralizedSubstruct::ExtendedQueryMol::operator= ( const ExtendedQueryMol &  other )

inline

Definition at line 53 of file XQMol.h.

toBinary()

std::string RDKit::GeneralizedSubstruct::ExtendedQueryMol::toBinary

(

)

const

toJSON()

std::string RDKit::GeneralizedSubstruct::ExtendedQueryMol::toJSON

(

)

const

Member Data Documentation

xqmol

ContainedType RDKit::GeneralizedSubstruct::ExtendedQueryMol::xqmol

Definition at line 68 of file XQMol.h.

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

• XQMol.h