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🧹 Refactor main execution logic in bionemo_scientist.py - #18

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refactor-bionemo-scientist-main-16252891661315863576
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🧹 Refactor main execution logic in bionemo_scientist.py#18
zrt219 wants to merge 1 commit into
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refactor-bionemo-scientist-main-16252891661315863576

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@zrt219

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🎯 What: The main function in bionemo_scientist.py was overly complex, containing over 250 lines of nested conditional execution paths. This has been refactored by moving the specific workflow logic into their own functions.
💡 Why: Refactoring the massive monolithic block makes it significantly easier to read, maintain, and test individual flows. It improves modularity without altering the behavior.
Verification: Verified by locally running python3 bionemo_scientist.py --runtime local-demo --workflow protein-design and python3 bionemo_scientist.py --runtime local-demo --workflow protein-fold. Output logs correctly mapped to previous output behavior. The python files also pass uv run ruff check and uv run ruff format.
Result: The main function is now clean and minimal, and individual execution pipelines are clearly defined in top-level functions.


PR created automatically by Jules for task 16252891661315863576 started by @zrt219

- Extracted complex branching logic in `main` into four distinct functions:
- `execute_hosted_protein_design`
- `execute_hosted_protein_fold`
- `execute_local_protein_design`
- `execute_local_protein_fold`
- Simplified `main` to delegate to these functions and handle their responses efficiently.
- Ran Ruff formatting and linting. Fixed bugs related to referencing undefined variables in local scopes during exception handling.
Co-authored-by: zrt219 <199104500+zrt219@users.noreply.github.com>
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