OBQuery Class Reference

#include <openbabel/query.h>

Public Member Functions
	~OBQuery ()
unsigned int	NumAtoms () const
unsigned int	NumBonds () const
const std::vector< OBQueryAtom * > &	GetAtoms () const
const std::vector< OBQueryBond * > &	GetBonds () const
OBQueryBond *	GetBond (OBQueryAtom *begin, OBQueryAtom *end) const
void	AddAtom (OBQueryAtom *atom)
void	AddBond (OBQueryBond *bond)

Protected Attributes
std::vector< OBQueryAtom * >	m_atoms
std::vector< OBQueryBond * >	m_bonds

Detailed Description

A substructure query.

See Substructure Search for more information.

Since

version 2.3

Constructor & Destructor Documentation

~OBQuery()

~OBQuery

(

)

Member Function Documentation

NumAtoms()

unsigned int NumAtoms ( ) const

inline

Returns

The number of atoms in the query.

NumBonds()

unsigned int NumBonds ( ) const

inline

Returns

The number of bonds in the query.

GetAtoms()

const std::vector<OBQueryAtom*>& GetAtoms ( ) const

inline

Returns

std::vector with pointers to the query atoms.

Referenced by OpenBabel::CompileAutomorphismQuery(), and OpenBabel::CompileMoleculeQuery().

GetBonds()

const std::vector<OBQueryBond*>& GetBonds ( ) const

inline

Returns

std::vector with pointers to the query bonds.

GetBond()

OBQueryBond* GetBond ( OBQueryAtom *  begin, OBQueryAtom *  end  ) const

inline

Returns

The query bond between begin and end. If there is no bond between begin and end, this function returns 0.

AddAtom()

void AddAtom ( OBQueryAtom *  atom )

inline

Add a query atom to the query. This function steals the pointer.

Referenced by OpenBabel::CompileAutomorphismQuery(), and OpenBabel::CompileMoleculeQuery().

AddBond()

void AddBond ( OBQueryBond *  bond )

inline

Add a query atom to the query. This function steals the pointer.

Referenced by OpenBabel::CompileAutomorphismQuery(), and OpenBabel::CompileMoleculeQuery().

Member Data Documentation

m_atoms

std::vector<OBQueryAtom*> m_atoms

protected

m_bonds

std::vector<OBQueryBond*> m_bonds

protected

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

• query.h
• query.cpp