3.6.14 Torsions

These functions remain beta.

virtual double GetTorsion(const OETorsion &) const = 0
virtual double GetTorsion(const OEAtomBase *a, const OEAtomBase *b,
                          const OEAtomBase *c, const OEAtomBase *d) const = 0
virtual void SetTorsion(OETorsion &) = 0
virtual void SetTorsion(OEAtomBase *a, OEAtomBase *b,
                        OEAtomBase *c, OEAtomBase *d, double radians) = 0

These functions can be used to check or set the torsion values on a torsion in the conformer. The torsion can be defined by either in OETorsion object, or by four OEAtomBase* objects.

				OEChem - API Manual Version 1.3.1

				OEChem - API Manual Version 1.3.1