double OEGetAngle(const OEMolBase &mol, const OEAtomBase *a, const OEAtomBase *b,
const OEAtomBase *c)
double OEGetAngle(const OEConfBase &conf, 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 OEConfBase &ca, const OEAtomBase *a,
const OEConfBase &cb, const OEAtomBase *b,
const OEConfBase &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 OEConfBase overload functions are not strictly necessary, but are useful for efficiency.