Re: [OpenBabel-Devel] Isotope table

2017-07-07 Thread Geoffrey 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

[OpenBabel-Devel] Isotope table

2017-07-06 Thread Noel O'Boyle
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,