Paul Kienzle
Paul Kienzle
(1) How to do this without changing interfaces and breaking existing code? (2) How to do this without using a particular unit system? I'm sure astropy.units is fine, but I...
The trivial implementation, extending the dictionary of elements to contain symbols and names, would break the table iterator. Conceptually, having more keys "in" the dictionary then are returned by iterating...
The main reason is my lack of experience with SQL. It would probably be a win for the X-ray data since it is large, and could also benefit the other...
Still interested in principle, but I'm not sure how much benefit there will be. I want to keep the data in the repo as text. That way I can show...
The H+ is indexed as an ion: ``` >>> f = periodictable.formula('NH3 + H{+}') >>> f.atoms {H: 3, N: 1, H.ion[1]: 1} >>> f.hill formula('H3H{+}N') ``` It was easy enough...
Looking at your alternative, leaving f.atoms alone and adding f.elements and f.isotopes is another way to go. This has the advantage of not changing the existing interface, but with the...
I didn't document my source of oxidation states. I'll add a ticket saying some are missing.
Here are some: ``` http://www.nist.gov/pml/data/halflife-ascii.cfm http://www.nist.gov/public_affairs/disclaimer.cfm ```
More complete data is available at the national nuclear data center: ``` http://www.nndc.bnl.gov/ ``` The data is freely distributed, but I don't know if it can be redistributed.
The Brookhaven disclaimer says they aren't responsible for third party copyright claims: ``` ...or represents that its use would not infringe privately owned ``` rights... http://www.bnl.gov/bnlweb/security-notice.php On Fri, Apr 3,...