This PR exports the first function to identify isotopes which is used by the findIsotopes function. Currently no post-processing is performed. Also, there is a second method findIsotopesWithValidation that uses a different code to determine isotopes - it might be eventually better to export that one too.
This PR exports the first function to identify isotopes which is used by the
findIsotopes
function. Currently no post-processing is performed. Also, there is a second methodfindIsotopesWithValidation
that uses a different code to determine isotopes - it might be eventually better to export that one too.