Add a function to access scattering parameters #497
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
YooSunYoung
reviewed
Feb 20, 2024
src/scippneutron/atoms/__init__.py
Outdated
| - ``bound_coherent_scattering_cross_section`` | ||
| - ``bound_incoherent_scattering_cross_section`` | ||
| - ``total_bound_scattering_cross_section`` | ||
| - ``absorption_cross_section`` |
There was a problem hiding this comment.
Why dict, not a dataclass...?
There was a problem hiding this comment.
Good question! Lazyness, I guess. Changing
There was a problem hiding this comment.
Changed it. I changed the field names to be more concise because now we have a docstring to provider more info.
YooSunYoung
approved these changes
Feb 20, 2024
I don't know. But 'data' is taken. TBH, the current name is motivated by Mantid's |
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Outdated suggestions cannot be applied.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.
This will be needed for scipp/essdiffraction#22 and many other similar corrections.
I chose this particular implementation because most users will only need parameters for a handful elements at a time. So there is no need to load all of them or initialise all during import like in Mantid. Also, the format is simple, portable, and relatively compact.