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.

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

statistical_inefficiency should raise an error when not given series #337

Closed
VOD555 opened this issue Dec 21, 2023 · 1 comment · Fixed by #338
Closed

statistical_inefficiency should raise an error when not given series #337

VOD555 opened this issue Dec 21, 2023 · 1 comment · Fixed by #338

Comments

@VOD555
Copy link
Contributor

VOD555 commented Dec 21, 2023

The currunt statistical_inefficiency in preprocessing.subsampling will not do the subsampling when not given the series input and does not raise an error or any massage to show that it's not doing the job. This makes it misleading for one using it.

https://github.com/alchemistry/alchemlyb/blob/862343b7365114cef5aea82243715935f0af6e61/src/alchemlyb/preprocessing/subsampling.py#L530C10-L530C10

@xiki-tempula
Copy link
Collaborator

Sorry upon a closer look, this seems to be a feature which has been supported since god knows when.
When series is not provided, the statistical_inefficiency could provide a high level function that could be used to massage the data. For example, statistical_inefficiency(unsorted, None, sort=True) would sort the dataframe. I could however, issue an warning.

@xiki-tempula xiki-tempula linked a pull request Dec 24, 2023 that will close this issue
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging a pull request may close this issue.

2 participants