Paul Kienzle
Paul Kienzle
The method used here (adding `sqrt` to the class) will work for many (all?) of the functions in umath, so for example `np.sin(ufloat)` would return `umath.sin(ufloat)`. Any interest in extending...
Trying with unicode for some of the characters `(∫_0^∞ \sum_{i=1}^n 2 π i q⋅r/ λ dr)` $$∫_0^∞ \sum_{i=1}^n 2 π i q⋅r/ λ \ {\mathrm d}r$$
Note security concerns with shipping sqlite listed in https://github.com/pkienzle/periodictable/issues/52#issuecomment-1451362212
See also https://github.com/SasView/sasview/issues/1847 which links to a paper with total cross section calculations and measurements for proteins.
Skip the Dawidoski tables for now. See #59 for details.
I added count_elements() to accumulate across isotopes/ions.
Changing this would be backwards incompatible. Save it for a breaking release.
A number of the values also have uncertainties. The space of uncertainties X units packages is even larger. Both need to be propagated through calculations.
Differences are described in detail in https://github.com/SasView/sasmeta/issues/3. No further checking of the calculations is required here, though there may be some more tickets produced as a result of the discussion...
Figuring out a nice interface will take some effort. In particular I would like it to be able to use the autodifferentiation tools in torch if the function supports them....