virtual OEBondBase *NewBond(OEAtomBase *src, OEAtomBase *dst, unsigned int order=0)
Create a new bond. The ``src'', ``dst'' and ``order'' arguments are used to specify the begin atom, the end atom and the bond order of the new bond. This method returns a pointer to the newly created bond. The atoms specified as begin and end atoms must belong to the current molecule. Additionally, a NULL pointer, (OEAtomBase*)0, may be passed as either the begin or end atom (but not both), allowing that atom to be specified later using OEBondBase::SetBgn or OEBondBase::SetEnd respectively. This helps when creating molecules for applications in which the ordering of atoms and/or bonds is significant.
After creating new bonds, it may be necessary to call the
OEFindRingAtomsAndBonds
and OEAssignAromaticFlags
functions
to update the ``in ring'' and ``aromatic'' properties of the atoms and
bonds in the modified molecule.