topdownproteomics / sdk

Software solution for common top-down proteomics tasks
http://www.topdownproteomics.org/
MIT License
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Isotope handling #60

Closed rfellers closed 5 years ago

rfellers commented 5 years ago

Handles isotopes in chemical formulas (actually at the element provider level). See #56. I chose a 3rd path, allowing elements to be either "natural" or "fixed isotope" (although there is nothing on the IElement interface to indicate this presently). When getting an element from a provider, you can optionally ask for a fixed isotope version.