bond.h File Reference

#include <openbabel/babelconfig.h>
#include <openbabel/base.h>
#include <openbabel/atom.h>

Go to the source code of this file.

Classes
class	OBBond

Namespaces
	OpenBabel

Macros
#define	OB_AROMATIC_BOND   (1<<1)
#define	OB_WEDGE_BOND   (1<<2)
#define	OB_HASH_BOND   (1<<3)
#define	OB_RING_BOND   (1<<4)
#define	OB_CLOSURE_BOND   (1<<10)
#define	OB_WEDGE_OR_HASH_BOND   (1<<11)
#define	SET_OR_UNSET_FLAG(X)

Detailed Description

Handle bonds.

Macro Definition Documentation

OB_AROMATIC_BOND

#define OB_AROMATIC_BOND   (1<<1)

An aromatic bond (regardless of bond order)

Referenced by OBBond::IsAromatic(), and OBBond::SetAromatic().

OB_WEDGE_BOND

#define OB_WEDGE_BOND   (1<<2)

A solid black wedge in 2D representations – i.e., "up" from the 2D plane.

Referenced by OBBond::IsWedge().

OB_HASH_BOND

#define OB_HASH_BOND   (1<<3)

A dashed "hash" bond in 2D representations – i.e., "down" from the 2D plane.

Referenced by OBBond::IsHash().

OB_RING_BOND

#define OB_RING_BOND   (1<<4)

A bond in a ring.

Referenced by OBBond::IsInRing(), and OBBond::SetInRing().

OB_CLOSURE_BOND

#define OB_CLOSURE_BOND   (1<<10)

A bond which "closes" a ring when walking the molecular graph.

Referenced by OBBond::IsClosure(), and OBBond::SetClosure().

OB_WEDGE_OR_HASH_BOND

#define OB_WEDGE_OR_HASH_BOND   (1<<11)

SET_OR_UNSET_FLAG

#define SET_OR_UNSET_FLAG

(

X

)

Value:

if (value) SetFlag(X); \
 else UnsetFlag(X);

Referenced by OBBond::SetAromatic(), OBBond::SetClosure(), OBBond::SetHash(), OBBond::SetInRing(), OBBond::SetWedge(), and OBBond::SetWedgeOrHash().