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

Improve box handling in pybel tests #881

Open
jennyfothergill opened this issue Apr 27, 2021 · 0 comments
Open

Improve box handling in pybel tests #881

jennyfothergill opened this issue Apr 27, 2021 · 0 comments

Comments

@jennyfothergill
Copy link
Contributor

TODO comments from mbuild/tests/test_compound.py

1161-    def test_from_pybel_molecule(self, extension):
1162-        pybel = import_('pybel')
1163-        chol = list(pybel.readfile(extension,
1164-            get_fn('cholesterol.{}'.format(extension))))[0]
1165:        # TODO: Actually store the box information

related to #872

jennyfothergill added a commit to jennyfothergill/mbuild that referenced this issue Apr 27, 2021
justinGilmer pushed a commit that referenced this issue Apr 27, 2021
* remove todo, see issue #875

* see #877

* see #878

* see #879

* see #880

* see #881

* see #882

* see #883

* see #884

* see #885

* see #886
umesh-timalsina referenced this issue in GOMC-WSU/MoSDeF-GOMC Mar 22, 2022
* remove todo, see issue #875

* see #877

* see #878

* see #879

* see #880

* see #881

* see #882

* see #883

* see #884

* see #885

* see #886
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
Development

No branches or pull requests

2 participants