Fix 278 C1 Add mmCIF preflight validation - #368
Open
Tanokri02 wants to merge 1 commit into
Open
Conversation
Tanokri02
changed the title
Collaborator
|
Thank you @Tanokri02 – is this ready for review? |
jandom
added
the
safe-to-test
Contributor
Author
|
yes @jandom it is ready for review |
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
Summary
Fix issue 278 C1. Validate the required mmCIF schema before structure preprocessing begins.
Changes
Added
openfold3/core/data/pipelines/preprocessing/mmcif.pywhich runs checks to ensure all mmCIF categories required are present. It accumalates all the missing categories into one errro message.structure.pyuses this new helper function.Related Issues
Testing
Added a 5 test suite at
openfold3/tests/core/data/pipelines/preprocessing/test_mmcif.pywhich validates the new helper function.