pkienzle/periodictable — Issue #2: Feature request: Report masses of ions accurately
Author: bjodah
Created: 2012-03-08 18:21:22+00:00
State: open

Hi!

What a nice python package you have made, I am looking into using this package for some of my problems (which might one day become packages) but I noted that the mass reported does not check whether it is an ion or not:

In [56]: periodictable.elements[26][56].ion[3].mass
Out[56]: 55.9349421

In [57]: periodictable.elements[26][56].ion[2].mass
Out[57]: 55.9349421

While I would have expected a difference of approximately 0.000548.

Is there any chance of implementing this behavior?

Best regards,
Björn Dahlgren