Skip to content

move network plotting to konnektor #1522

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

Draft
atravitz wants to merge 6 commits into
base: main
Choose a base branch
from
Draft

move network plotting to konnektor #1522

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
6 commits
Select commit Hold shift + click to select a range
5ab4d62
move to konnektor
atravitz Sep 18, 2025
5c0586e
move network plotting tests to konnektor
atravitz Sep 18, 2025
4126d96
remove unused fixture
atravitz Sep 18, 2025
d454bf0
removed unused code
atravitz Sep 18, 2025
da06d33
add TODO
atravitz Sep 18, 2025
8e9ebb1
remove typing-extensions dep
atravitz Sep 18, 2025
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
6 changes: 3 additions & 3 deletions environment.yml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,7 @@ dependencies:
- coverage
- duecredit<0.10
- kartograf>=1.2.0
- konnektor~=0.2.0
# - konnektor~=0.2.0
- lomap2>=3.2.1
- networkx
- numpy
Expand All @@ -29,7 +29,7 @@ dependencies:
- pooch
- py3dmol
- pydantic >=1.10.17 # practically, this almost always means pydantic v2 because of our other dependencies.
- pygraphviz
- pygraphviz # TODO: make this an optional dependency?
- pytest
- pytest-xdist
- pytest-cov
Expand All @@ -39,7 +39,6 @@ dependencies:
- rdkit
- rich
- tqdm
- typing-extensions
- zstandard
# Issue #443
- pymbar>4.0
Expand All @@ -52,3 +51,4 @@ dependencies:
- threadpoolctl
- pip:
- git+https://github.com/OpenFreeEnergy/gufe@main
- git+https://github.com/OpenFreeEnergy/konnektor@move_network_plotting_from_openfe
Copy link
Contributor Author

@atravitz atravitz Sep 18, 2025

Choose a reason for hiding this comment

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

for testing - bump this to konnektor 0.3.0 when it's released

61 changes: 0 additions & 61 deletions openfe/tests/utils/conftest.py
View file
Open in desktop

This file was deleted.

188 changes: 0 additions & 188 deletions openfe/tests/utils/test_atommapping_network_plotting.py
View file
Open in desktop

This file was deleted.

Loading
Loading