Add a builder class for CIF files #548
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
approved these changes
Sep 16, 2024
src/scippneutron/io/cif.py
Outdated
| blocks = (blocks,) | ||
| if isinstance(content, CIF): | ||
| if comment: | ||
| raise ValueError('Cannot specify a comment when saving a CIF object') |
There was a problem hiding this comment.
Can't we just replace the comment if another one is given...?
Or will it be too flacky...?
There was a problem hiding this comment.
You are right. I changed to it overwrite the comment. I don't think this is too flaky.
jl-wynen
force-pushed
the
improve-cif
branch
from
1849b1e
to
52469d8
Compare
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Outdated suggestions cannot be applied.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 PR adds a new class to simplify writing CIF files. When implementing scipp/essdiffraction#89, I found that the existing low-level interface is tedious to use. And I needed to implement some functionality that should be in ScippNeutron and not ESS*, such as author and beamline handling. This will in particular be relevant once #473 is implemented. (Note that the current PR is meant as a stop-gap solution until the models from that issue are added.)
Fixes #547