20.3.2 OEGetDefaultMass

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).