OpenFreeEnergy / OpenFreeEnergy/openfe
Vis: Add invert option to visualisation
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
Minor, but it would be nice to be able to swap the order of a mapping when visualising it. Alternatively, just AtomMapping.invert() which switches A/B (since it's all reversible anyway)
Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start by locating the visualisation entry point and the AtomMapping class. Read how mappings are currently ordered for visualisation, then clarify whether the intended result is an invert option or AtomMapping.invert(). Done means A/B can be swapped consistently and the relevant tests cover the new behavior.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- data-visualization
- Issue type
- Feature
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 35/100