Isotope table

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Isotope table

Noel O'Boyle
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Hi Geoff,

I've just converted the isotope table in isotope.txt to a switch
statement in the code (elements.cpp in
https://github.com/baoilleach/openbabel/commit/91a320713f498e78db1b3e4579a1a87478f0c55a).
I have some more work to do with adding comments and so forth, but
what I'm wondering is, there's also a file isotope-small.txt. Am I
right in saying that this is legacy and I can ignore (and delete) it?

- Noel

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Re: Isotope table

Geoff Hutchison
> I have some more work to do with adding comments and so forth, but
> what I'm wondering is, there's also a file isotope-small.txt. Am I
> right in saying that this is legacy and I can ignore (and delete) it?


The "small" isotope table was compiled into the data header - it included the most common isotopes.

The "full" isotope table is pretty huge - I don't know if it's necessary to convert the whole thing, or whether it's better to write a script that converts from text to the switch statement. Every few years, there are small mass updates, and it's certainly useful to do for MS applications.

-Geoff
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