Bond Properties

The OEBondBase represents the bonds of a molecule. This section details some of its important and often used properties and methods.

Read/Write Bond Properties

Property Name Type Get Method Set Method See Also
Bond Order unsigned int GetOrder SetOrder  
Aromaticity bool IsAromatic SetAromatic Aromaticity Perception
Ring Membership bool IsInRing SetInRing Ring Perception
Integer Bond Type int GetIntType SetIntType  
Bond Type Name string GetType SetType  
Begin Atom OEAtomBase GetBgn SetBgn  
End Atom OEAtomBase GetEnd SetEnd  
Bond Chirality bool IsChiral SetChiral Stereochemistry Perception
Bond Stereo unsigned int GetStereo SetStereo Stereochemistry Perception

Read Only Bond Properties

Property Name Type Get Method See Also
Begin Atom Index unsigned int GetBgnIdx Atom, Bond, and Conformer Indices
End Atom Index unsigned int GetEndIdx Atom, Bond, and Conformer Indices
Bond Index unsigned int GetIdx Atom, Bond, and Conformer Indices
Bond Has Stereo bool HasStereoSpecified Stereochemistry Perception
Bond Parent OEMolBase GetParent  
Rotatable bool IsRotor rotatable bond

Attach Generic Data to Bonds

Generic data (see Generic Data) can be attached to any object that derives from the OEBase class. The OEBondBase API provides the following methods, publicly inherited from OEBase, that allow the manipulation of generic data.

Methods to manipulate generic data
Method Description
SetData sets a generic data associating it with the given tag
AddData adds a generic data associating it with the given tag
HasData determines whether a molecule has any generic data with a given tag
GetData returns the generic data associated with the given tag
DeleteData deletes all generic data with the given tag
Clear clears all stored generic data

Note

Generic data attached to a molecule or any of its atoms or bonds is automatically saved when the molecule is written into an .oeb file.