OpenFreeEnergy / OpenFreeEnergy/feflow
Not requiring perses for testing hybrid topology implementation
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- Dominant language
- Python
- Stars
- 20
- Forks
- 4
- PR merge metrics
- No merged PRs in 30d
Description
In order to test our implementation of the HybridTopologyFactory we are relying on perses for the tests. See for example #24 . Please note that we are only requiring perses exclusively for testing purposes.
In the future we would like not to rely on perses, additionally not relying on OpenEye, to test our infrastructure. Many of the tests rely in intermediate objects (such as the TopologyProposal that I don't know if we are going to need to have our implementation of similar objects. This is something to discuss.
Contributor guide
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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 reading the HybridTopologyFactory implementation and the testing approach referenced in issue #24. Trace which tests require perses and which intermediate objects, including TopologyProposal, they use. Done means the hybrid topology tests no longer require perses or OpenEye, with the replacement object requirements agreed and verified.
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Assessment
- Tech stack
- python
- Domain
- testing-qa
- Issue type
- Refactor
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100