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deepmodeling / dpgen2

2nd generation of the Deep Potential GENerator
https://docs.deepmodeling.com/projects/dpgen2/
GNU Lesser General Public License v3.0
31 stars 22 forks source link

fix missing key of merged caly-evo-step #228

Closed zjgemi closed 1 month ago

zjgemi commented 1 month ago

Summary by CodeRabbit

coderabbitai[bot] commented 1 month ago
Walkthrough ## Walkthrough The recent updates in the codebase focus on enhancing the handling of specific key transformations and filtering out invalid values. In `submit.py`, new logic was added to manage "caly-evo-step" key transformations, while in `prep_caly_model_devi.py`, a filter was introduced to exclude `None` values from a list before path resolution, ensuring robustness and accuracy in data processing. ## Changes | Files/Modules | Change Summary | |----------------------------------------------------|--------------------------------------------------------------------------------------------------| | `dpgen2/entrypoint/submit.py` | Added handling for "caly-evo-step" key transformation and adjusted `step_keys` in `get_resubmit_keys`. | | `dpgen2/op/prep_caly_model_devi.py` | Updated `execute` function to filter out `None` values from `traj_results_dir` before path resolution. | ## Sequence Diagram(s) (Beta) ```mermaid sequenceDiagram participant User participant submit.py participant prep_caly_model_devi.py User ->> submit.py: Call get_superop() submit.py ->> submit.py: Handle "caly-evo-step" key transformation User ->> submit.py: Call get_resubmit_keys() submit.py ->> submit.py: Adjust step_keys User ->> prep_caly_model_devi.py: Call execute() prep_caly_model_devi.py ->> prep_caly_model_devi.py: Filter out None values from traj_results_dir prep_caly_model_devi.py ->> prep_caly_model_devi.py: Resolve paths ```
Recent review details **Configuration used: CodeRabbit UI** **Review profile: CHILL**
Commits Files that changed from the base of the PR and between b2c681316ecdfcc6ed1e45aed4aea179db776ef9 and 698843e6eb581574cfd9612ba11a76c375d5eeae.
Files selected for processing (1) * dpgen2/op/prep_caly_model_devi.py (1 hunks)
Additional context used
Ruff
dpgen2/op/prep_caly_model_devi.py
1-1: `json` imported but unused --- 2-2: `logging` imported but unused --- 3-3: `pickle` imported but unused --- 4-4: `shutil` imported but unused --- 10-10: `typing.Tuple` imported but unused --- 20-20: `dflow.python.TransientError` imported but unused --- 24-24: `dpgen2.constants.calypso_check_opt_file` imported but unused --- 25-25: `dpgen2.constants.calypso_opt_dir_name` imported but unused --- 26-26: `dpgen2.constants.calypso_run_opt_file` imported but unused --- 27-27: `dpgen2.constants.model_name_pattern` imported but unused --- 30-30: `dpgen2.exploration.task.ExplorationTaskGroup` imported but unused --- 33-33: `dpgen2.utils.BinaryFileInput` imported but unused --- 37-37: `dpgen2.utils.run_command.run_command` imported but unused
Additional comments not posted (1)
dpgen2/op/prep_caly_model_devi.py (1)
`90-94`: The modification to filter out `None` values before resolving paths is correctly implemented and enhances the robustness of the code.
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codecov[bot] commented 1 month ago

Codecov Report

Attention: Patch coverage is 12.50000% with 7 lines in your changes missing coverage. Please review.

Project coverage is 84.31%. Comparing base (60c8f94) to head (698843e). Report is 1 commits behind head on master.

Files Patch % Lines
dpgen2/entrypoint/submit.py 0.00% 7 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #228 +/- ## ========================================== - Coverage 84.41% 84.31% -0.10% ========================================== Files 95 95 Lines 5249 5255 +6 ========================================== Hits 4431 4431 - Misses 818 824 +6 ```

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