4.57 OEGetDefaultMass

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.