RDKit::QueryAtom Class Reference

Class for storing atomic queries. More...

#include <QueryAtom.h>

Inheritance diagram for RDKit::QueryAtom:

List of all members.

Public Types
typedef Queries::Query< int, Atom const *, true >	QUERYATOM_QUERY
Public Member Functions
	QueryAtom ()
	QueryAtom (int num)
	QueryAtom (const Atom &other)
	QueryAtom (const QueryAtom &other)
	~QueryAtom ()
Atom *	copy () const
	returns a copy of this query, owned by the caller
bool	hasQuery () const
void	setQuery (QUERYATOM_QUERY *what)
	replaces our current query with the value passed in
QUERYATOM_QUERY *	getQuery () const
	returns our current query
void	expandQuery (QUERYATOM_QUERY *what, Queries::CompositeQueryType how=Queries::COMPOSITE_AND, bool maintainOrder=true)
	expands our current query
bool	Match (const Atom::ATOM_SPTR what) const
	returns true if we match Atom what
bool	Match (Atom const *what) const
	returns whether or not we match the argument

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Detailed Description

Class for storing atomic queries.

QueryAtom objects are derived from Atom objects, so they can be added to molecules and the like, but they have much fancier querying capabilities.

Definition at line 22 of file QueryAtom.h.

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Member Typedef Documentation

typedef Queries::Query<int,Atom const *,true> RDKit::QueryAtom::QUERYATOM_QUERY

Reimplemented from RDKit::Atom.

Definition at line 24 of file QueryAtom.h.

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Constructor & Destructor Documentation

RDKit::QueryAtom::QueryAtom

(

)

[inline]

Definition at line 26 of file QueryAtom.h.

RDKit::QueryAtom::QueryAtom

(

int

num

)

[inline, explicit]

Definition at line 27 of file QueryAtom.h.

RDKit::QueryAtom::QueryAtom

(

const Atom &

other

)

[inline, explicit]

Definition at line 28 of file QueryAtom.h.

RDKit::QueryAtom::QueryAtom

(

const QueryAtom &

other

)

[inline]

Definition at line 29 of file QueryAtom.h.

RDKit::QueryAtom::~QueryAtom

(

)

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Member Function Documentation

Atom* RDKit::QueryAtom::copy

(

)

const [virtual]

returns a copy of this query, owned by the caller

Reimplemented from RDKit::Atom.

bool RDKit::QueryAtom::hasQuery

(

)

const [inline, virtual]

Reimplemented from RDKit::Atom.

Definition at line 37 of file QueryAtom.h.

void RDKit::QueryAtom::setQuery

(

QUERYATOM_QUERY *

what

)

[inline, virtual]

replaces our current query with the value passed in

Reimplemented from RDKit::Atom.

Definition at line 40 of file QueryAtom.h.

QUERYATOM_QUERY* RDKit::QueryAtom::getQuery

(

)

const [inline, virtual]

returns our current query

Reimplemented from RDKit::Atom.

Definition at line 42 of file QueryAtom.h.

void RDKit::QueryAtom::expandQuery	(	QUERYATOM_QUERY *	what,
		Queries::CompositeQueryType	how = Queries::COMPOSITE_AND,
		bool	maintainOrder = true
	)			[virtual]

expands our current query

Parameters:

	what	the Queries::Query to be added
	how	the operator to be used in the expansion
	maintainOrder	(optional) flags whether the relative order of the queries needs to be maintained, if this is false, the order is reversed Notes: what should probably be constructed using one of the functions defined in QueryOps.h the maintainOrder option can be useful because the combination operators short circuit when possible.

Reimplemented from RDKit::Atom.

bool RDKit::QueryAtom::Match

(

const Atom::ATOM_SPTR

what

)

const [virtual]

returns true if we match Atom what

Reimplemented from RDKit::Atom.

bool RDKit::QueryAtom::Match

(

Atom const *

what

)

const [virtual]

returns whether or not we match the argument

Notes:

• for Atom objects, "match" means that atomic numbers are the same.

Reimplemented from RDKit::Atom.

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

• QueryAtom.h