3.2.13 IsRotor

virtual bool IsRotor() const

Determine whether a bond is freely rotatable. The definition of a freely rotatable bond is that it is a single, non-ring bond between two non-terminal, non-triple-bonded atoms. An atom is considered non-terminal if it is connected to two or more non-hydrogen atoms, i.e. OEAtomBase::GetHvyDegree >= 2. Note that the ``in ring'' property of the bond must have previously been set using the OEBondBase::SetInRing method, typically by calling the function OEFindRingAtomsAndBonds.