RDKit::RecursiveStructureQuery Class Reference

allows use of recursive structure queries (e.g. recursive SMARTS) More...

#include <QueryOps.h>

Inheritance diagram for RDKit::RecursiveStructureQuery:

List of all members.

Public Member Functions
	RecursiveStructureQuery ()
	RecursiveStructureQuery (ROMol const *query)
	initialize from an ROMol pointer
void	setQueryMol (ROMol const *query)
	sets the molecule we'll use recursively
ROMol const *	getQueryMol () const
	returns a pointer to our query molecule
Queries::Query< int, Atom const *, true > *	copy () const
	returns a copy of this query
Static Public Member Functions
static int	getAtIdx (Atom const *at)
	returns the index of an atom

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Detailed Description

allows use of recursive structure queries (e.g. recursive SMARTS)

Definition at line 244 of file QueryOps.h.

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Constructor & Destructor Documentation

RDKit::RecursiveStructureQuery::RecursiveStructureQuery

(

)

[inline]

Definition at line 246 of file QueryOps.h.

References getAtIdx(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setDataFunc(), and Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setDescription().

Referenced by copy().

RDKit::RecursiveStructureQuery::RecursiveStructureQuery

(

ROMol const *

query

)

[inline]

initialize from an ROMol pointer

Notes

• this takes over ownership of the pointer

Definition at line 255 of file QueryOps.h.

References getAtIdx(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setDataFunc(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setDescription(), and setQueryMol().

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Member Function Documentation

static int RDKit::RecursiveStructureQuery::getAtIdx

(

Atom const *

at

)

[inline, static]

returns the index of an atom

Definition at line 261 of file QueryOps.h.

References RDKit::Atom::getIdx().

Referenced by RecursiveStructureQuery().

void RDKit::RecursiveStructureQuery::setQueryMol

(

ROMol const *

query

)

[inline]

sets the molecule we'll use recursively

Notes

• this takes over ownership of the pointer

Definition at line 268 of file QueryOps.h.

Referenced by RecursiveStructureQuery().

ROMol const* RDKit::RecursiveStructureQuery::getQueryMol

(

)

const [inline]

returns a pointer to our query molecule

Definition at line 272 of file QueryOps.h.

Queries::Query<int,Atom const *,true>* RDKit::RecursiveStructureQuery::copy

(

)

const [inline, virtual]

returns a copy of this query

Reimplemented from Queries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >.

Definition at line 276 of file QueryOps.h.

References Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_description, Queries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::d_set, dp_queryMol, Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::getNegation(), Queries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::insert(), RecursiveStructureQuery(), and Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setNegation().

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

• QueryOps.h

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