RDKit::QueryBond Class Reference

Class for storing Bond queries. More...

#include <QueryBond.h>

Inheritance diagram for RDKit::QueryBond:

List of all members.

Public Types
typedef Queries::Query< int, Bond const *, true >	QUERYBOND_QUERY
Public Member Functions
	QueryBond ()
	QueryBond (BondType bT)
	initialize with a particular bond order
	QueryBond (const Bond &other)
	initialize from a bond
	QueryBond (const QueryBond &other)
	~QueryBond ()
virtual Bond *	copy () const
	returns a copy of this query, owned by the caller
QueryBond &	operator= (const QueryBond &other)
void	setBondType (BondType bT)
	sets the BondType of this query:
void	setBondDir (BondDir bD)
	sets the BondDir of this query:
bool	Match (const Bond::BOND_SPTR what) const
	returns true if we match Bond what
bool	Match (Bond const *what) const
	returns whether or not we match the argument
bool	hasQuery () const
QUERYBOND_QUERY *	getQuery () const
	returns our current query
void	setQuery (QUERYBOND_QUERY *what)
	replaces our current query with the value passed in
void	expandQuery (QUERYBOND_QUERY *what, Queries::CompositeQueryType how=Queries::COMPOSITE_AND, bool maintainOrder=true)
	expands our current query
Protected Attributes
QUERYBOND_QUERY *	dp_query

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Detailed Description

Class for storing Bond queries.

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

Definition at line 24 of file QueryBond.h.

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Member Typedef Documentation

typedef Queries::Query<int,Bond const *,true> RDKit::QueryBond::QUERYBOND_QUERY

Reimplemented from RDKit::Bond.

Definition at line 26 of file QueryBond.h.

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Constructor & Destructor Documentation

RDKit::QueryBond::QueryBond

(

)

[inline]

Definition at line 28 of file QueryBond.h.

RDKit::QueryBond::QueryBond

(

BondType

bT

)

[explicit]

initialize with a particular bond order

RDKit::QueryBond::QueryBond

(

const Bond &

other

)

[inline, explicit]

initialize from a bond

Definition at line 32 of file QueryBond.h.

RDKit::QueryBond::QueryBond

(

const QueryBond &

other

)

[inline]

Definition at line 33 of file QueryBond.h.

RDKit::QueryBond::~QueryBond

(

)

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Member Function Documentation

virtual Bond* RDKit::QueryBond::copy

(

)

const [virtual]

returns a copy of this query, owned by the caller

Reimplemented from RDKit::Bond.

QueryBond& RDKit::QueryBond::operator=

(

const QueryBond &

other

)

void RDKit::QueryBond::setBondType

(

BondType

bT

)

sets the BondType of this query:

Reimplemented from RDKit::Bond.

void RDKit::QueryBond::setBondDir

(

BondDir

bD

)

sets the BondDir of this query:

Reimplemented from RDKit::Bond.

bool RDKit::QueryBond::Match

(

const Bond::BOND_SPTR

what

)

const [virtual]

returns true if we match Bond what

Reimplemented from RDKit::Bond.

bool RDKit::QueryBond::Match

(

Bond const *

what

)

const [virtual]

returns whether or not we match the argument

Notes:

• for Bond objects, "match" means that either one of the Bonds has bondType Bond::UNSPECIFIED or both Bonds have the same bondType.

Reimplemented from RDKit::Bond.

bool RDKit::QueryBond::hasQuery

(

)

const [inline, virtual]

Reimplemented from RDKit::Bond.

Definition at line 56 of file QueryBond.h.

References dp_query.

QUERYBOND_QUERY* RDKit::QueryBond::getQuery

(

)

const [inline, virtual]

returns our current query

Reimplemented from RDKit::Bond.

Definition at line 59 of file QueryBond.h.

References dp_query.

void RDKit::QueryBond::setQuery

(

QUERYBOND_QUERY *

what

)

[inline, virtual]

replaces our current query with the value passed in

Reimplemented from RDKit::Bond.

Definition at line 61 of file QueryBond.h.

References dp_query.

void RDKit::QueryBond::expandQuery	(	QUERYBOND_QUERY *	what,
		Queries::CompositeQueryType	how = Queries::COMPOSITE_AND,
		bool	maintainOrder = true
	)

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::Bond.

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Member Data Documentation

QUERYBOND_QUERY* RDKit::QueryBond::dp_query [protected]

Definition at line 87 of file QueryBond.h.

Referenced by getQuery(), hasQuery(), and setQuery().

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

• QueryBond.h

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