Open Babel: bond.h File Reference

Classes | Namespaces | Defines | Typedefs

# bond.h File Reference

Handle bonds. More...

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

Go to the source code of this file.

## Classes
class | OBBond
| Bond class. More...
## Namespaces
namespace | OpenBabel
## Defines
#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_TORUP_BOND (1<<5)
#define | OB_TORDOWN_BOND (1<<6)
#define | OB_KSINGLE_BOND (1<<7)
#define | OB_KDOUBLE_BOND (1<<8)
#define | OB_KTRIPLE_BOND (1<<9)
#define | OB_CLOSURE_BOND (1<<10)
#define | OB_WEDGE_OR_HASH_BOND (1<<11)
#define | OB_CIS_OR_TRANS_BOND (1<<12)
## Typedefs
typedef OBBond | OBEdgeBase

## Detailed Description

Handle bonds.

## Define Documentation

#define OB_AROMATIC_BOND (1<<1)

An aromatic bond (regardless of bond order)

Referenced by OBBond::IsAromatic(), OBBond::IsDouble(), OBBond::IsSingle(), OBBond::IsTriple(), OBBond::SetAromatic(), and OBBond::UnsetAromatic().

#define OB_WEDGE_BOND (1<<2)

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

Referenced by OBMol::AddHydrogens(), OBBond::IsWedge(), and OBBond::UnsetWedge().

#define OB_HASH_BOND (1<<3)

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

Referenced by OBMol::AddHydrogens(), OBBond::IsHash(), and OBBond::UnsetHash().

#define OB_RING_BOND (1<<4)

A bond in a ring.

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

#define OB_TORUP_BOND (1<<5)

The "upper" bond in a double bond cis/trans isomer (i.e., "\" in SMILES) <-- this was wrong (/), obsolete anyway.

Referenced by OBBond::IsUp(), OBBond::SetDown(), OBBond::SetUp(), and OBBond::UnsetUp().

#define OB_TORDOWN_BOND (1<<6)

The "down" bond in a double bond cis/trans isomer (i.e., "/" in SMILES) <-- same.

Referenced by OBBond::IsDown(), OBBond::SetDown(), OBBond::SetUp(), and OBBond::UnsetDown().

#define OB_KSINGLE_BOND (1<<7)

A Kekule single bond.

Referenced by OBBond::IsKSingle(), OBBond::SetBondOrder(), OBBond::SetKDouble(), OBBond::SetKSingle(), OBBond::SetKTriple(), and OBBond::UnsetKekule().

#define OB_KDOUBLE_BOND (1<<8)

A Kekule double bond.

Referenced by OBBond::IsKDouble(), OBBond::SetBondOrder(), OBBond::SetKDouble(), OBBond::SetKSingle(), OBBond::SetKTriple(), and OBBond::UnsetKekule().

#define OB_KTRIPLE_BOND (1<<9)

A Kekule triple bond.

Referenced by OBBond::IsKTriple(), OBBond::SetBondOrder(), OBBond::SetKDouble(), OBBond::SetKSingle(), OBBond::SetKTriple(), and OBBond::UnsetKekule().

#define OB_CLOSURE_BOND (1<<10)

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

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

#define OB_WEDGE_OR_HASH_BOND (1<<11)

#define OB_CIS_OR_TRANS_BOND (1<<12)

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