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

Break core_fast_leaflet into functions. #39

Closed
3 tasks done
ojeda-e opened this issue Jun 29, 2021 · 0 comments · Fixed by #40
Closed
3 tasks done

Break core_fast_leaflet into functions. #39

ojeda-e opened this issue Jun 29, 2021 · 0 comments · Fixed by #40
Assignees
@ojeda-e
Labels
refactoring code rewrites without functional changes testing testing framework

Comments

@ojeda-e
Copy link
Member

ojeda-e commented Jun 29, 2021 •
edited
Loading

As suggested in #34 (see comment here), break core_fast_leaflet into three different functions to

  • get positions for each atom in the atom group for each frame.
  • identify the grid cell for each coordinate.
  • calculate the average z for the atom group.

Add tests for each function above.
@ojeda-e ojeda-e added testing testing framework refactoring code rewrites without functional changes labels Jun 29, 2021
@ojeda-e ojeda-e self-assigned this Jun 29, 2021
@ojeda-e ojeda-e linked a pull request Jun 29, 2021 that will close this issue
Added derive_surface and get_positions with tests. #40
Merged
6 tasks
@ojeda-e ojeda-e mentioned this issue Jul 6, 2021
Closed
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@ojeda-e ojeda-e

Labels
refactoring code rewrites without functional changes testing testing framework
Projects
None yet
Milestone
No milestone
Development

Successfully merging a pull request may close this issue.

Added derive_surface and get_positions with tests. MDAnalysis/membrane-curvature
1 participant
@ojeda-e