Expand and tidy up test coverage #81
Merged
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
… the total shift on the two states!
…e don't know them
hartytp
commented
Jan 3, 2025
hartytp
commented
Jan 3, 2025
hartytp
commented
Jan 3, 2025
hartytp
commented
Jan 3, 2025
hartytp
commented
Jan 3, 2025
hartytp
commented
Jan 3, 2025
hartytp
commented
Jan 3, 2025
hartytp
commented
Jan 3, 2025
There was previously a fixme here about the values we calculare not matching the ones from the Benhelm paper. I tracked this difference down to the fact that they were using a measured gJ for the D5/2 level while we were using the Lande g factor. NB they are also using a different (older) value of gI to this toolkit, although that does not change the calculations meaningfully.
…t match RS's thesis
|
There are still a few final small additional tests / bits of documentation I want to write. However, this PR now has a lot in it, including some important bugfixes for master. So I'm going to merge now and finish the rest in a separate PR. |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Expand and tidy up test coverage. Fix a couple of small bugs found during testing.
NB there is now some duplication in the tests (e.g. we do essentially the same thing to check our 43Ca+ atomic structure data and to check
Atom). This is deliberate; I want it to be easy to say "how is feature x tested". If the same calculation checks two features then I'm okay with having test_x and test_y doing the same thing.