Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Respect mapped SMILES #73

Merged
merged 2 commits into from
Oct 27, 2024
Merged

Respect mapped SMILES #73

merged 2 commits into from
Oct 27, 2024

Conversation

SimonBoothroyd
Copy link
Owner

Description

This PR changes SMILES parsing to try and respect atom ordering specified in a mapped SMILES.

Status

  • Ready to go

@codecov Codecov
Copy link

codecov bot commented Oct 27, 2024 •
edited
Loading

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 97.90%. Comparing base (719c3dd) to head (c388dc6).
Report is 1 commits behind head on main.

Additional details and impacted files

@SimonBoothroyd SimonBoothroyd merged commit ea5a04e into main Oct 27, 2024
2 checks passed
@SimonBoothroyd SimonBoothroyd deleted the sb/allow-mapped-smiles branch October 27, 2024 20:44
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers
No reviews
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.
1 participant
@SimonBoothroyd