unsigned int OEGetPDBAtomIndex(const OEAtomBase *atm)
The OEGetPDBAtomIndex
function takes a OEAtomBase as an argument
and returns an unsigned integer index encoding the atom name. The atom
name is the value returned by the OEAtomBase::GetName
method and
the resulting index corresponds to a value in the OEPDBAtomName
namespace.
The PDB atom name index returned by this function may be converted back
into a string using the OEGetPDBAtomName
function.