chore(tf): throw an error if type map is missing in change_energy_bias #4636
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Fix deepmodeling#4608. Signed-off-by: Jinzhe Zeng <jinzhe.zeng@ustc.edu.cn>
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PR Overview
This PR adds error handling for a missing type map in the change_energy_bias function.
- Adds a check that raises a ValueError when the type map provided by the data is empty.
Reviewed Changes
| File | Description |
|---|---|
| deepmd/tf/train/trainer.py | Adds a conditional check to raise an error for a missing type map |
Copilot reviewed 1 out of 1 changed files in this pull request and generated no comments.
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📝 WalkthroughWalkthroughThe changes introduce an error handling mechanism within the Changes
Sequence Diagram(s)sequenceDiagram
participant T as DPTrainer
participant D as Data
participant M as Model
T->>D: get_type_map()
alt Type map is empty
D-->>T: Empty type map
T->>T: Raise ValueError("type_map.raw file must be provided")
else Type map is valid
D-->>T: Valid type map
T->>M: change_energy_bias(..., bias_adjust_mode)
M-->>T: Acknowledge update
end
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wanghan-iapcm
approved these changes
Mar 6, 2025
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## devel #4636 +/- ##
==========================================
- Coverage 84.78% 84.77% -0.01%
==========================================
Files 688 688
Lines 66091 66092 +1
Branches 3539 3539
==========================================
- Hits 56033 56032 -1
Misses 8918 8918
- Partials 1140 1142 +2 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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iProzd
approved these changes
Mar 6, 2025
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Fix #4608.
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