coderabbitai[bot]
commented
1 month ago 📝 Walkthrough
📝 Walkthrough
## Walkthrough The changes involve modifications to several classes across multiple files, primarily focusing on enhancing the configuration filtering process. The `TrajRenderLammps` class's `get_confs` method has been simplified for efficiency. The `ConfFilter` and `ConfFilters` classes have been updated to support batch processing of configurations, introducing a new `batched_check` method. Additionally, the distance filters have been enhanced to allow parallel processing through a `max_workers` parameter. New filter classes have been added in the tests, improving the testing framework to align with the updated filtering logic. ## Changes | File Path | Change Summary | |------------------------------------------------|-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------| | `dpgen2/exploration/render/traj_render_lammps.py` | Simplified `get_confs` method in `TrajRenderLammps` class; corrected indentation for `ss = ss.sub_system(id_selected[ii])`. | | `dpgen2/exploration/selector/conf_filter.py` | Added `batched_check` method to `ConfFilter` class; modified `check` method in `ConfFilters` class to accept `dpdata.MultiSystems` instead of a single `dpdata.System`. | | `dpgen2/exploration/selector/distance_conf_filter.py` | Added `max_workers` parameter to constructors of `DistanceConfFilter`, `BoxSkewnessConfFilter`, and `BoxLengthFilter` classes; added `batched_check` methods to each class for concurrent processing; updated `args` methods for documentation. | | `tests/exploration/test_conf_filter.py` | Modified `FooFilter` class's `check` method; added `BarFilter` and `BazFilter` classes with new `check` methods; removed `faked_filter` class; updated test cases to reflect new filter logic and ensure correct frame preservation. | ## Sequence Diagram(s) ```mermaid sequenceDiagram participant User participant TrajRenderLammps participant ConfFilters participant ConfFilter participant DistanceConfFilter User->>TrajRenderLammps: request get_confs TrajRenderLammps->>ConfFilters: call check(ms) ConfFilters->>ConfFilter: call batched_check(frames) ConfFilter-->>ConfFilters: return validity list ConfFilters-->>TrajRenderLammps: return valid configurations TrajRenderLammps-->>User: return configurations ``` ```mermaid sequenceDiagram participant User participant DistanceConfFilter User->>DistanceConfFilter: request batched_check(frames) DistanceConfFilter->>ProcessPoolExecutor: execute checks ProcessPoolExecutor-->>DistanceConfFilter: return results DistanceConfFilter-->>User: return valid frames ```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?
codecov[bot]
Summary by CodeRabbit
Release Notes
New Features
BarFilter,BazFilter) with specific checks for frame coordinates.Bug Fixes
Tests