deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics
https://docs.deepmodeling.com/projects/deepmd/
GNU Lesser General Public License v3.0
1.41k stars 487 forks source link

chore: cleanup out-of-date TODOs #3811

Closed njzjz closed 1 month ago

njzjz commented 1 month ago

Closes #3521. Cloases #3532.

Summary by CodeRabbit

coderabbitai[bot] commented 1 month ago
Walkthrough ## Walkthrough The changes involve minor cleanups in the `deepmd` codebase: removing a TODO comment related to porting a function to `pathlib` in `common.py` and updating a method call in `env_mat_stat.py` by replacing `get_rcut` with `get_rcut_smth`. ## Changes | File Path | Change Summary | |-------------------------------------------|--------------------------------------------------------------------------------------------------| | `deepmd/common.py` | Removed a TODO comment for porting `expand_sys_str` function to `pathlib` | | `deepmd/pt/utils/env_mat_stat.py` | Updated method call from `get_rcut` to `get_rcut_smth` in `DescriptorBlock` | ## Assessment against linked issues | Objective | Addressed | Explanation | |---------------------------------------------------------------------------|-----------|-------------------------| | Port `expand_sys_str` completely to `pathlib` when all callers are ported (#3521) | ❌ | Only the TODO comment was removed; no porting to `pathlib` was done. | | Update `self.descriptor.get_rcut()` to `self.descriptor.get_rcut_smth()` (#3521) | ✅ | |

Recent Review Details **Configuration used: CodeRabbit UI** **Review profile: CHILL**
Commits Files that changed from the base of the PR and between 02e4ce9446852100496452e7bf6bb43bd504e293 and 00527f99708fdf85d1035ee1ff70275d035b62b6.
Files selected for processing (2) * deepmd/common.py (1 hunks) * deepmd/pt/utils/env_mat_stat.py (1 hunks)
Files skipped from review due to trivial changes (2) * deepmd/common.py * deepmd/pt/utils/env_mat_stat.py
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codecov[bot] commented 1 month ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 82.50%. Comparing base (02e4ce9) to head (00527f9).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## devel #3811 +/- ## ======================================= Coverage 82.50% 82.50% ======================================= Files 516 516 Lines 49049 49049 Branches 2983 2982 -1 ======================================= Hits 40466 40466 Misses 7672 7672 Partials 911 911 ```

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