OEGetTorsionsΒΆ

OESystem::OEIterBase<OETorsion> *
  OEGetTorsions(const OEMolBase &mol,
                const OESystem::OEUnaryPredicate<OEBondBase> &isRotor=
                static_cast<const OESystem::OEUnaryPredicate<OEBondBase> &>(IsRotor()))

Return an iterator over all torsions in the molecule as OETorsion objects. What bonds are considered torsions can be changed by passing a different predicate to the isRotor argument.

mol
The molecule to get torsions of.
isRotor
Predicate to define which bonds should be considered torsions.