add definition for the output of fitting and model #3128

wanghan-iapcm · 2024-01-10T07:57:28Z

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codecov · 2024-01-10T08:04:47Z

Codecov Report

Attention: 4 lines in your changes are missing coverage. Please review.

Comparison is base (43f9639) 76.02% compared to head (3f3393d) 73.10%.

Files	Patch %	Lines
deepmd_utils/model_format/output_def.py	96.19%	4 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##            devel    #3128      +/-   ##
==========================================
- Coverage   76.02%   73.10%   -2.93%     
==========================================
  Files         251      252       +1     
  Lines       25344    25450     +106     
  Branches     1598     1598              
==========================================
- Hits        19268    18605     -663     
- Misses       5137     5911     +774     
+ Partials      939      934       -5

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source/tests/test_output_def.py

deepmd_utils/model_format/output_def.py

njzjz · 2024-01-11T03:27:08Z

@CodiumAI-Agent /review

CodiumAI-Agent · 2024-01-11T03:28:03Z

PR Analysis

(review updated until commit `6c5b69f`)

🎯 Main theme: Adding output definitions for fitting and model in deep learning
📝 PR summary: This PR introduces output definitions for fitting and model in deep learning. It includes a new module output_def.py that contains classes and functions to check and define the output of the models. It also includes tests for the new module.
📌 Type of PR: Enhancement
🧪 Relevant tests added: Yes
⏱️ Estimated effort to review [1-5]: 4, because the PR introduces a significant amount of new code, including new classes and functions. It also modifies the existing codebase. The logic of the new code is complex and requires a deep understanding of the project to review effectively.
🔒 Security concerns: No security concerns found

PR Feedback

💡 General suggestions: The PR is well-structured and introduces a significant enhancement to the project. The new code is well-documented, which makes it easier to understand the purpose and functionality of the new classes and functions. However, the PR could benefit from a more detailed description explaining the motivation behind the changes and how they improve the project.

🤖 Code feedback:

relevant file	deepmd_utils/model_format/output_def.py
suggestion	Consider adding more detailed docstrings for the `model_check_output` and `fitting_check_output` decorators. While the current docstrings provide a general overview of their functionality, they could be improved by including information about the expected input and output types, as well as any exceptions that might be raised. [medium]
relevant line	def model_check_output(cls):

relevant file	deepmd_utils/model_format/output_def.py
suggestion	In the `check_var` function, the error messages could be more descriptive. Instead of just stating that the lengths or shapes do not match, consider including the expected and actual lengths or shapes in the error message. This would make debugging easier if the function raises an error. [medium]
relevant line	raise ValueError(f"{var.shape[2:]} length not matching def {var_def.shape}")

relevant file	deepmd_utils/model_format/output_def.py
suggestion	The `VariableDef`, `OutputVariableDef`, `FittingOutputDef`, and `ModelOutputDef` classes have a lot of shared functionality. Consider creating a base class that includes the shared functionality to reduce code duplication and improve maintainability. [important]
relevant line	class VariableDef:

relevant file	source/tests/test_output_def.py
suggestion	The test cases are well-written and cover a wide range of scenarios. However, consider adding more edge cases, such as invalid or unexpected inputs, to ensure that the new code can handle these situations correctly. [medium]
relevant line	class TestDef(unittest.TestCase):

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CodiumAI-Agent · 2024-01-11T03:28:06Z

Persistent review updated to latest commit 6c5b69f

njzjz · 2024-01-11T03:51:16Z

@CodiumAI-Agent /improve --extend

deepmd_utils/model_format/output_def.py

njzjz

The suggestions by AI look not necessary...

Co-authored-by: CodiumAI-Agent <[email protected]> Signed-off-by: Han Wang <[email protected]>

for more information, see https://pre-commit.ci

This reverts commit e3914e8.

This reverts commit 72f7fc6.

add definition for the output of fitting and model

4796a86

wanghan-iapcm requested a review from njzjz January 10, 2024 07:57

github-actions bot added the Python label Jan 10, 2024

impl shape check decorators for model and fitting

01f938f

github-advanced-security bot found potential problems Jan 10, 2024

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wanghan-iapcm commented Jan 10, 2024

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wanghan-iapcm requested a review from iProzd January 10, 2024 09:02

Han Wang added 3 commits January 10, 2024 20:29

use assertIn

60cf941

output_def should not be class method

9b23a57

output_def should not be class method

6c5b69f

njzjz reviewed Jan 10, 2024

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njzjz approved these changes Jan 11, 2024

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wanghan-iapcm and others added 2 commits January 11, 2024 14:25

Update deepmd_utils/model_format/output_def.py

72f7fc6

Co-authored-by: CodiumAI-Agent <[email protected]> Signed-off-by: Han Wang <[email protected]>

[pre-commit.ci] auto fixes from pre-commit.com hooks

e3914e8

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wanghan-iapcm enabled auto-merge (squash) January 11, 2024 06:28

Han Wang added 2 commits January 12, 2024 08:55

Revert "[pre-commit.ci] auto fixes from pre-commit.com hooks"

48293f4

This reverts commit e3914e8.

Revert "Update deepmd_utils/model_format/output_def.py"

3f3393d

This reverts commit 72f7fc6.

wanghan-iapcm merged commit ff58456 into deepmodeling:devel Jan 12, 2024
45 of 46 checks passed

wanghan-iapcm deleted the mdfmt-output-def branch January 12, 2024 01:53

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add definition for the output of fitting and model #3128

add definition for the output of fitting and model #3128

wanghan-iapcm commented Jan 10, 2024

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add definition for the output of fitting and model #3128

add definition for the output of fitting and model #3128

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(review updated until commit `6c5b69f`)