OEGetDefaultMass
returns an unsigned integer representing the most
common (or default) isotope for an element. For elements, such as
Bromine that have two or more almost equally common isotopes, OEChem
uses the same default mass as MDL. This value is used when
converting between OEChem's internal mass value,
OEAtomBase::GetIsotope
, to and from MDL's mass differences. For
atomic number zero and values greater than or equal to
OEElemNo::MAXELEM
, this function returns zero. Remember that in
OEChem, an isotopic mass of zero represents a composition of isotopes
base upon their natural abundance (with average isotopic mass), but an
explicit nonzero mass represents a single isotope (with monoisotopic
mass).