4.50 OEGetAngle

double OEGetAngle(const OEMolBase &,
                  const OEAtomBase *a,
                  const OEAtomBase *b,
                  const OEAtomBase *c)
double OEGetAngle(const OEMolBase &ma, const OEAtomBase *a,
                  const OEMolBase &mb, const OEAtomBase *b,
                  const OEMolBase &mc, const OEAtomBase *c)
double OEGetAngle(const OEConfBaseT<float,3> &conf,
                  const OEAtomBase *a,
                  const OEAtomBase *b,
                  const OEAtomBase *c)
double OEGetAngle(const OEConfBaseT<float,3> &ca, const OEAtomBase *a,
                  const OEConfBaseT<float,3> &cb, const OEAtomBase *b,
                  const OEConfBaseT<float,3> &cc, const OEAtomBase *c)

Returns the angle formed by three atoms where the atom passed in as the b argument is the vertex. The function which takes a single OEMolBase argument assumes that all three atoms are contained in the single molecule. The OEConfBaseT overload functions are not strictly necessary, but are useful for efficiency.

				OEChem - API Manual Version 1.3.1

				OEChem - API Manual Version 1.3.1