Added atom_sites_* structure id key#53
Open
rowlesmr wants to merge 14 commits into
Open
Conversation
jamesrhester
approved these changes
Jun 17, 2026
Contributor
Author
|
|
There is only one data name, and it is described as "DEPRECATED" and replaced be "the ATOM_SITES_AXES data names". There doesn't seem to be a nice dataname for _atom_sites_rot_fourier.axes_description, so left the replaced_by dataname as inapplicable.
Deprecate atom sites rot fourier
Contributor
|
Same comment as on #45 : should we add a short phrase to the |
Added notes about omitting structure_id when only one _structure.id is present.
This file contains hidden or 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
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
2 participants
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
Added linked key *.structure_id data names to ATOM_SITES_AXES, ATOM_SITES_MODULATION, and ATOM_SITES_ORTHO.
Did not add to ATOM_SITES_DISPLACE_FOURIER, as it is a deprecated category - see #50
Can be added if needed.