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fix(tf): throw RuntimeError for se_a + type_embedding #3861

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merged 2 commits into from
Jun 11, 2024

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@njzjz njzjz commented Jun 6, 2024

Fix #3541.

Summary by CodeRabbit

  • New Features

    • Introduced a new attribute use_tebd to enhance serialization handling based on input conditions.
  • Tests

    • Added new assertions to improve error handling in the test suite.

Fix deepmodeling#3541.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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Commits

Files that changed from the base of the PR and between de3b048 and 81eaea3.

Walkthrough

The primary change involves introducing a new attribute use_tebd in the DescriptorSeA class in deepmd/tf/descriptor/se_a.py. This attribute is initialized in the constructor and set based on specific conditions in the _pass_filter method. Additionally, the serialize method has been updated to handle serialization logic depending on the value of use_tebd. A new assertion using assertRaises for RuntimeError has also been added in the test file test_model_se_a_type.py.

Changes

File Change Summary
deepmd/tf/descriptor/se_a.py Added use_tebd attribute, initialized it in the constructor, set it in _pass_filter, and used it in serialize
source/tests/tf/test_model_se_a_type.py Added a new assertion using assertRaises for RuntimeError in the test_model function

Sequence Diagram(s) (Beta)

sequenceDiagram
    participant User
    participant DescriptorSeA
    participant Serializer

    User->>DescriptorSeA: Create instance
    DescriptorSeA->>DescriptorSeA: Initialize use_tebd

    User->>DescriptorSeA: Call _pass_filter
    DescriptorSeA->>DescriptorSeA: Set use_tebd based on conditions

    User->>DescriptorSeA: Call serialize
    DescriptorSeA->>DescriptorSeA: Check use_tebd
    DescriptorSeA->>Serializer: Serialize based on use_tebd
Loading

Assessment against linked issues

Objective Addressed Explanation
Handle type embedding in DescrptSeA.serialize (#3541)
Ensure use_tebd attribute is set and used correctly
Add necessary tests for new functionality

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@github-actions github-actions bot added the Python label Jun 6, 2024
@njzjz njzjz linked an issue Jun 6, 2024 that may be closed by this pull request
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Actionable comments posted: 3

deepmd/tf/descriptor/se_a.py Outdated Show resolved Hide resolved
deepmd/tf/descriptor/se_a.py Outdated Show resolved Hide resolved
deepmd/tf/descriptor/se_a.py Outdated Show resolved Hide resolved
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codecov bot commented Jun 6, 2024

Codecov Report

Attention: Patch coverage is 83.33333% with 1 line in your changes missing coverage. Please review.

Project coverage is 82.67%. Comparing base (c71ece3) to head (81eaea3).
Report is 120 commits behind head on devel.

Files with missing lines Patch % Lines
deepmd/tf/descriptor/se_a.py 83.33% 1 Missing ⚠️
Additional details and impacted files
@@           Coverage Diff           @@
##            devel    #3861   +/-   ##
=======================================
  Coverage   82.66%   82.67%           
=======================================
  Files         517      517           
  Lines       49724    49729    +5     
  Branches     2984     2985    +1     
=======================================
+ Hits        41106    41111    +5     
  Misses       7708     7708           
  Partials      910      910           

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@njzjz njzjz requested review from iProzd and wanghan-iapcm June 6, 2024 22:18
@wanghan-iapcm wanghan-iapcm added this pull request to the merge queue Jun 11, 2024
Merged via the queue into deepmodeling:devel with commit 73dab63 Jun 11, 2024
60 checks passed
mtaillefumier pushed a commit to mtaillefumier/deepmd-kit that referenced this pull request Sep 18, 2024
)

Fix deepmodeling#3541.

<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->

## Summary by CodeRabbit

- **New Features**
- Introduced a new attribute `use_tebd` to enhance serialization
handling based on input conditions.

- **Tests**
  - Added new assertions to improve error handling in the test suite.

<!-- end of auto-generated comment: release notes by coderabbit.ai -->

---------

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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tf: handle type embedding in DescrptSeA.serialize
3 participants