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

Added transform and copy method to Entity in biopython.PDB #25

Closed
wants to merge 5 commits into from

Conversation

benreynwar
Copy link
Contributor

Minor changes to biopython.PDB to allow transforms to be applied to entities and copies of entities to be made. Also fixed a bug in the transform method of Atom. Tests are included.
The changes are from a few months ago but they still merge cleanly into the current master.

@etal
Copy link
Contributor

etal commented Feb 9, 2012

Thanks for the patches, Ben, and sorry for the lag. The last commit causes the test_transform unit test to fail (naturally):

FAIL: test_transform (main.TransformTests)

Transform entities (rotation and translation).

Traceback (most recent call last):
File "test_PDB.py", line 864, in test_transform
self.assertAlmostEqual(newpos[i], newpos_check[i])
AssertionError: 26.538192549044155 != -19.705159487698754 within 7 places

I'm surprised nobody noticed the bug in Atom.transform during the nearly 8 years it's been around.

@etal
Copy link
Contributor

etal commented Feb 11, 2012

Merged, except for the last commit:
ed4ca9c

Thanks again!

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