unsigned int OETriposAtomType(const OEAtomBase *atm)
This function determines the Tripos Sybyl atom type for the given
atom. The result is an unsigned integer index taken from the
OETriposType namespace. The index zero
OETriposType_Du, i.e. a dummy or
unrecognized atom. The atom, including any previously assigned
integer atom type, is not modified by this function.
This function prefers that aromaticity has previously been assigned
using the Tripos model of aromaticity, see the
function. However, reasonable atom types are returned when using
other models of aromaticity.