OBQueryBond Class Reference
[Substructure Searching]

Bond in an OBQuery. More...

#include <openbabel/query.h>

List of all members.

Public Member Functions

 OBQueryBond (OBQueryAtom *begin, OBQueryAtom *end, int order=1, bool aromatic=false)
virtual ~OBQueryBond ()
unsigned int GetIndex () const
OBQueryAtomGetBeginAtom () const
OBQueryAtomGetEndAtom () const
virtual bool Matches (const OBBond *bond) const

Protected Attributes

unsigned int m_index
OBQueryAtomm_begin
OBQueryAtomm_end
int m_order
bool m_aromatic

Friends

class OBQuery

Detailed Description

Bond in an OBQuery.

The OBQueryBond class defines an interface for query bonds. The class provides some general methods and properties to access the topology information. The Matches method can be reimplemented in subclasses to get custom matching behavior.

The default Matches implementation only checks if the bonds are both aromatic, otherwise the bond orders are compared.

See Substructure Search for more information.

See also:
OBQuery OBQueryAtom OBIsomorphismMapper
Since:
version 2.3

Constructor & Destructor Documentation

OBQueryBond ( OBQueryAtom begin,
OBQueryAtom end,
int  order = 1,
bool  aromatic = false 
) [inline]

Constructor.

virtual ~OBQueryBond (  ) [inline, virtual]

Member Function Documentation

unsigned int GetIndex (  ) const [inline]

Get the index for this query bonds. Query bonds are indexed starting from 0.

OBQueryAtom* GetBeginAtom (  ) const [inline]

Get the begin atom.

OBQueryAtom* GetEndAtom (  ) const [inline]

Get the end atom.

virtual bool Matches ( const OBBond bond ) const [inline, virtual]

This is the match method to verify if an OBQueryBond and OBBond class match. The default implementation checks if both bonds are aromatic and compares the bond orders otherwise. Reimplement this method in a subclass for more advances matching. This method is used by OBIsomorphismMapper implementations.

Parameters:
bondThe OBBond object to compare this OBQueryBond with.

Friends And Related Function Documentation

friend class OBQuery [friend]

Member Data Documentation

unsigned int m_index [protected]

Referenced by OBQuery::AddBond().

OBQueryAtom* m_begin [protected]
OBQueryAtom * m_end [protected]
int m_order [protected]
bool m_aromatic [protected]

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