unsigned int GetDefaultMass(unsigned int elemno)
The OEGetDefaultMass
function returns the most abundant isotope
for the given atomic number. For example, for OEElemNo::C
this
function returns the value 12. For input value of zero and for values
greater than or equal to OEElemNo::MAXELEM
, this function returns
zero.
This function returns the same values as required by the MDL file format. In MDL SD files, non-natural isotopes are represented as a delta from the most commonly occuring isotope for a particular element/atomic number.