Enable Hybrid Descriptor to be compressed #4297
Conversation
for more information, see https://pre-commit.ci
📝 WalkthroughWalkthroughThe changes introduce a new method named Changes
Sequence Diagram(s)sequenceDiagram
participant User
participant DescrptHybrid
participant Descriptor
User->>DescrptHybrid: enable_compression(min_nbor_dist, table_extrapolate, ...)
DescrptHybrid->>Descriptor: enable_compression(...)
Descriptor-->>DescrptHybrid: Response
DescrptHybrid-->>User: Completion
Thank you for using CodeRabbit. We offer it for free to the OSS community and would appreciate your support in helping us grow. If you find it useful, would you consider giving us a shout-out on your favorite social media? 🪧 TipsChatThere are 3 ways to chat with CodeRabbit:
Note: Be mindful of the bot's finite context window. It's strongly recommended to break down tasks such as reading entire modules into smaller chunks. For a focused discussion, use review comments to chat about specific files and their changes, instead of using the PR comments. CodeRabbit Commands (Invoked using PR comments)
Other keywords and placeholders
CodeRabbit Configuration File (
|
![coderabbitai[bot]](https://avatars.githubusercontent.com/in/347564?s=60&v=4){kind=small}
There was a problem hiding this comment.
Actionable comments posted: 2
🧹 Outside diff range and nitpick comments (2)
deepmd/dpmodel/descriptor/hybrid.py (2)
213-244: Consider adding error handling for sub-descriptor compression.The implementation correctly delegates compression to each sub-descriptor, following the established hybrid pattern. However, consider adding error handling to catch and properly report any failures during compression of individual descriptors.
Consider wrapping the compression calls with try-except blocks:
def enable_compression( self, min_nbor_dist: float, table_extrapolate: float = 5, table_stride_1: float = 0.01, table_stride_2: float = 0.1, check_frequency: int = -1, ) -> None: - for descrpt in self.descrpt_list: - descrpt.enable_compression( - min_nbor_dist, - table_extrapolate, - table_stride_1, - table_stride_2, - check_frequency, - ) + compression_errors = [] + for i, descrpt in enumerate(self.descrpt_list): + try: + descrpt.enable_compression( + min_nbor_dist, + table_extrapolate, + table_stride_1, + table_stride_2, + check_frequency, + ) + except Exception as e: + compression_errors.append(f"Failed to compress descriptor {i}: {str(e)}") + if compression_errors: + raise RuntimeError("\n".join(compression_errors))
221-235: Enhance method documentation.The docstring could be improved by:
- Adding a description of what the method does
- Documenting the return value (None)
- Adding type hints in the docstring
- Mentioning that it operates on all sub-descriptors
Consider updating the docstring:
- """Receive the statisitcs (distance, max_nbor_size and env_mat_range) of the training data. + """Enable compression for all sub-descriptors using the provided parameters. + + This method configures compression settings for each descriptor in the hybrid + descriptor list using statistics from the training data. Parameters ---------- - min_nbor_dist + min_nbor_dist : float The nearest distance between atoms - table_extrapolate + table_extrapolate : float, optional The scale of model extrapolation - table_stride_1 + table_stride_1 : float, optional The uniform stride of the first table - table_stride_2 + table_stride_2 : float, optional The uniform stride of the second table - check_frequency + check_frequency : int, optional The overflow check frequency + + Returns + ------- + None + + Notes + ----- + This method applies the compression settings to all sub-descriptors in the hybrid + descriptor list. If any sub-descriptor fails to enable compression, an error will + be raised. """
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## devel #4297 +/- ##
==========================================
- Coverage 84.35% 84.34% -0.02%
==========================================
Files 559 559
Lines 52509 52516 +7
Branches 3054 3054
==========================================
Hits 44292 44292
- Misses 7260 7265 +5
- Partials 957 959 +2 ☔ View full report in Codecov by Sentry. |
Summary by CodeRabbit
enable_compressionin theDescrptHybridclass, allowing users to configure compression settings related to neighbor distance and table parameters.callmethod, providing clearer descriptions of parameters and return values.