OBQuery Class Reference
[Substructure Searching]

A substructure query. More...

#include <openbabel/query.h>

List of all members.

Public Member Functions

 ~OBQuery ()
unsigned int NumAtoms () const
unsigned int NumBonds () const
const std::vector< OBQueryAtom * > & GetAtoms () const
const std::vector< OBQueryBond * > & GetBonds () const
OBQueryBondGetBond (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 (  ) [inline]

Member Function Documentation

unsigned int NumAtoms (  ) const [inline]
Returns:
The number of atoms in the query.
unsigned int NumBonds (  ) const [inline]
Returns:
The number of bonds in the query.
const std::vector<OBQueryAtom*>& GetAtoms (  ) const [inline]
Returns:
std::vector with pointers to the query atoms.

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

const std::vector<OBQueryBond*>& GetBonds (  ) const [inline]
Returns:
std::vector with pointers to the query bonds.
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.
void AddAtom ( OBQueryAtom atom ) [inline]

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

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

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

std::vector<OBQueryAtom*> m_atoms [protected]
std::vector<OBQueryBond*> m_bonds [protected]

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