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Files that changed from the base of the PR and between 9d001ca625a6326dece4cf6f37707e291ab60cd9 and 4c59892dc537611830fc317ebf69221d8afc2bbf.
Walkthrough
The recent changes in deepmd/utils/data.py and corresponding test files involve the deprecation of the trn_all_set parameter in the DeepmdData class, leading to a unified approach where all sets are trained and tested. This simplifies the logic for handling training directories and ensures that test sets are merged from all directories before shuffling. These updates address the issue where only the last set was tested, ensuring comprehensive testing across all sets.
Changes
| Files/Modules | Change Summary |
|---|---|
deepmd/utils/data.py |
Deprecated trn_all_set parameter, simplified logic for handling training directories, unified test set loading and shuffling. |
source/tests/tf/test_deepmd_data.py |
Updated tests to reflect changes in directory handling, test set merging, and batch size checks. |
source/tests/tf/test_deepmd_data_sys.py |
Adjusted batch sizes and array concatenations for coordinate and test data retrieval to align with new logic. |
Sequence Diagram(s) (Beta)
sequenceDiagram
participant User
participant DeepmdData
participant TestSet
User->>DeepmdData: Initialize without trn_all_set
DeepmdData->>DeepmdData: Simplify training directory logic
User->>DeepmdData: Request test set
DeepmdData->>TestSet: Merge test sets from all directories
TestSet->>DeepmdData: Return merged and shuffled test set
DeepmdData->>User: Provide comprehensive test setAssessment against linked issues
| Objective | Addressed | Explanation |
|---|---|---|
| Only the last set of a LabeledSystem is tested in 'dp test' (#3860) | ✅ |
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codecov[bot]
Fix #3860.
Remove
train_dirsandtest_dirinDeepmdData.Summary by CodeRabbit
New Features
Bug Fixes
Tests