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

Polish testing #65

Merged
merged 6 commits into from May 10, 2019
Merged

Polish testing #65

merged 6 commits into from May 10, 2019

Conversation

loriab
Copy link
Collaborator

@loriab loriab commented May 10, 2019

I'll fix this up when I have a clean dir and can rebase. For now, just look at the last ("adjustible") commit.

@codecov
Copy link

codecov bot commented May 10, 2019

Codecov Report

Merging #65 into master will increase coverage by 0.43%.
The diff coverage is 93.54%.

Copy link
Collaborator

@dgasmith dgasmith left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

LGTM

@loriab
Copy link
Collaborator Author

loriab commented May 10, 2019

RTG. 41cdc67 is new commit. I think this is all psi needs.

@loriab
Copy link
Collaborator Author

loriab commented May 10, 2019

@Lnaden here's the changelog for this PR

- (:pr:`65`) Fixed some minor printing and tolerance errors in molecule alignment.
- (:pr:`65`) ``testing.compare_molrecs`` learned parameter ``relative_geoms='align'`` that lets Molecules pass if
             geometries within a translation and rotation of each other.
- (:pr:`65`) Testing functions ``compare``, ``compare_values``, ``compare_recursive`` learned parameter
             ``return_handler`` that lets other printing, logging, and pass/fail behavior to be interjected.
- (:pr:`65`) ``testing.compare_recursive`` stopped doing ``atol=10**-atol`` for ``atol>=1``, bringing it in line with
             other compare functions.
- (:pr:`65`) ``testing.compare_recursive`` learned parameter ``forgive`` that is a list of paths that may differ without
             failing the comparison.

@dgasmith
Copy link
Collaborator

Levi's out for the week, could you go ahead and add to the change log?

@loriab
Copy link
Collaborator Author

loriab commented May 10, 2019

981b03f pushed. included stubs. I'll take 56, 60, 62, 63

Copy link
Collaborator

@dgasmith dgasmith left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

LGTM. Merge when you like.

@loriab loriab merged commit 1bf7d8a into master May 10, 2019
@loriab loriab deleted the polish_testing branch May 10, 2019 21:12
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 this pull request may close these issues.

None yet

2 participants