OEGetDistance2¶
double OEGetDistance2(const OEMolBase &mol, const OEAtomBase *a,
const OEAtomBase *b)
double OEGetDistance2(const OEConfBase &conf, const OEAtomBase *a,
const OEAtomBase *b)
double OEGetDistance2(const OEMolBase &ma, const OEAtomBase *a,
const OEMolBase &mb, const OEAtomBase *b)
double OEGetDistance2(const OEConfBase &ca, const OEAtomBase *a,
const OEConfBase &cb, const OEAtomBase *b)
These four functions are almost identical to the
OEGetDistance
function. However, they return the
square of the distance between two atoms rather than distance. When
it is possible to use the square of the distance, this is more
efficient.