coderabbitai[bot]
commented
1 month ago Walkthrough
## Walkthrough The recent changes refactor the handling of data requirements in the `deepmd` library to eliminate the use of global variables. This involves removing the `data_requirement` global variable, introducing `DataRequirementItem`, and adding properties like `input_requirement` and `label_requirement` to manage data requirements within classes. This refactor aims to enhance modularity and maintainability by encapsulating data requirements within relevant classes. ## Changes | Files/Modules | Change Summary | |---------------|----------------| | `source/tests/pt/model/test_model.py` | Removed `data_requirement` import, added `dp_ds.add_data_requirements(dp_model.input_requirement)`, and removed `data.add_dict(data_requirement)`. | | `deepmd/utils/data_system.py` | Removed `data_requirement` import, added `DataRequirementItem` import, modified `add_dict` method, added `add_data_requirements` method. | | `deepmd/tf/common.py` | Removed `data_requirement` global variable and `add_data_requirement` function. | | `deepmd/tf/descriptor/descriptor.py` | Added `DataRequirementItem` import, introduced `input_requirement` property. | | `deepmd/tf/descriptor/se_a_ebd.py` | Removed `add_data_requirement` import, added `DataRequirementItem` import, refactored data requirement handling in `__init__` and added `input_requirement` property. | | `deepmd/tf/descriptor/se_a_ef.py` | Removed `add_data_requirement` import, added `DataRequirementItem` import, refactored data requirement handling in `__init__` and added `input_requirement` property. | | `deepmd/tf/entrypoints/train.py` | Updated `_do_work` function to add data requirements to training and validation data objects. | | `deepmd/tf/fit/dos.py`, `deepmd/tf/fit/ener.py` | Removed `add_data_requirement` calls, introduced `input_requirement` property. | | `deepmd/tf/fit/fitting.py` | Added `DataRequirementItem` import, introduced `input_requirement` property. | | `deepmd/tf/loss/dos.py`, `deepmd/tf/loss/ener.py`, `deepmd/tf/loss/loss.py`, `deepmd/tf/loss/tensor.py` | Removed `add_data_requirement` calls, introduced `label_requirement` property. | | `deepmd/tf/model/frozen.py`, `deepmd/tf/model/linear.py`, `deepmd/tf/model/model.py`, `deepmd/tf/model/pairtab.py`, `deepmd/tf/model/pairwise_dprc.py` | Added `DataRequirementItem` import, introduced `input_requirement` property. | | `deepmd/tf/train/trainer.py` | Removed `data_requirement` import, added `DataRequirementItem` import, refactored `_build_network` method, added `data_requirements` property. | | `source/tests/tf/test_data_modifier.py`, `source/tests/tf/test_data_modifier_shuffle.py` | Replaced `data_requirement` with `model.data_requirements`. | | `deepmd/utils/data.py` | Added `__eq__` and `__repr__` methods to `DataRequirementItem`. | | `source/tests/tf/test_loss_gf.py`, `source/tests/tf/test_model_se_a.py`, `source/tests/tf/test_model_se_a_aparam.py`, `source/tests/tf/test_model_se_a_fparam.py`, `source/tests/tf/test_pairwise_dprc.py` | Added tests for `DataRequirementItem` and input requirements. | ## Assessment against linked issues | Objective | Addressed | Explanation | |-----------|-----------|-------------| | Refactor `data_requirement` to not be a global variable (#3522) | ✅ | | | Remove line when `data_requirement` is not a global variable (#3540) | ✅ | | Overall, the changes effectively address the objectives outlined in the linked issues by refactoring the handling of data requirements to eliminate global variables and improve encapsulation within the relevant classes.Recent Review Details
**Configuration used: CodeRabbit UI** **Review profile: CHILL**Commits
Files that changed from the base of the PR and between 15db5df823c75759a8db7b6902a28787ff7c93ec and 126295b49a29368ae2ff0c836c7b7f2cd665e52a.Files selected for processing (6)
* deepmd/utils/data.py (1 hunks) * source/tests/tf/test_loss_gf.py (2 hunks) * source/tests/tf/test_model_se_a.py (1 hunks) * source/tests/tf/test_model_se_a_aparam.py (2 hunks) * source/tests/tf/test_model_se_a_fparam.py (2 hunks) * source/tests/tf/test_pairwise_dprc.py (2 hunks)Files skipped from review due to trivial changes (1)
* source/tests/tf/test_pairwise_dprc.pyAdditional comments not posted (8)
source/tests/tf/test_loss_gf.py (2)
`8-10`: LGTM! The import of `DataRequirementItem` aligns with the refactoring to handle data requirements locally. --- `32-86`: Excellent addition of `test_label_requirements`. This test method effectively checks the correctness of the `label_requirement` property, ensuring it meets the new data handling requirements.source/tests/tf/test_model_se_a_aparam.py (2)
`19-21`: LGTM! The import of `DataRequirementItem` is necessary for the new data requirement handling. --- `172-176`: Excellent addition of a test to verify the `input_requirement` for `aparam`. This ensures that the model's data requirements are correctly implemented and tested.source/tests/tf/test_model_se_a_fparam.py (2)
`19-21`: LGTM! The import of `DataRequirementItem` is necessary for the new data requirement handling. --- `173-180`: Excellent addition of a test to verify the `input_requirement` for `fparam`. This ensures that the model's data requirements are correctly implemented and tested.source/tests/tf/test_model_se_a.py (1)
`268-270`: Good addition of a test to verify the `input_requirement` for the model. This ensures that the model's data requirements are correctly implemented and tested, even if it expects no specific requirements.deepmd/utils/data.py (1)
`796-797`: Review the representation method `__repr__`. The `__repr__` method provides a clear and concise string representation of the object, which is useful for debugging and logging.
codecov[bot]
Fix #3522. Fix #3540.
Summary by CodeRabbit
New Features
input_requirementacross various models to streamline data requirements handling.label_requirementfor loss classes to specify data label requirements.Bug Fixes
Tests
input_requirementandlabel_requirementproperties.