Repository navigation
Added Validator function for Species InchI and SMILES validation using RDKit - #144
Open
LekiaAnonim wants to merge 3 commits into
Open
LekiaAnonim wants to merge 3 commits into
LekiaAnonim wants to merge 3 commits into
Conversation
…now contained in the identifier module
There was a problem hiding this comment.
Pull request overview
Copilot reviewed 13 out of 13 changed files in this pull request and generated 1 comment.
Comments suppressed due to low confidence (4)
src/pyked/identifier.py:19
- Docstring typo: "Specfically" should be "Specifically".
Specfically, return a dictionary with the personal details
src/pyked/identifier.py:38
- This standalone triple-quoted string is not a module docstring and has no effect at runtime; it reads like an accidental leftover and makes the module harder to scan.
"""Validation helpers for chemical species identifiers."""
src/pyked/identifier.py:33
- The ORCID lookup performs an unbounded network request; without a timeout this can hang validation indefinitely if the ORCID service stalls.
r = httpx.get(url, headers=headers)
src/pyked/identifier.py:15
- Removing the
pyked.orcidmodule is a breaking change for downstream users who importpyked.orcid.search_orcid. Consider keepingpyked/orcid.pyas a thin compatibility shim that re-exportssearch_orcid(and optionally deprecates it) to avoid breaking existing code.
def search_orcid(orcid):
This branch has not been deployed
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
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
CHANGELOG.mdChanges proposed in this pull request:
RDKit. The functions for the InChI and SMILES validation are also used in the OurValidator class for fields containingisvalid_inchi, andisvalid_smilesasTrue@pr-omethe-us/PyKED