Glease / ChemLib

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Should we add one more abstraction layer to Atom? #27

Open Glease opened 8 years ago

Glease commented 8 years ago

Currently we have atoms, but no element. In general it will be OK, but it creates lots of issues. Mostly it's where the weird Normalizations come from. Should we isolate the concept into two parts: Element and Isotope?

How the new abstraction works

The Isotope generally replace the existing Atom, and Element is a higher level of abstraction. Atoms' states like index, localizedName, averageMolMass is pulled up to the Element, and the remaining part is named Isotope. An Element could have multiple Isotope, just as the real world elements have.

Pros

Should we use this abstraction despite the difficulties of implementing?

Glease commented 8 years ago

@3TUSK take a look