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Add post_func_skip_list to control execution of post functions - #644

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ZLI-afk wants to merge 3 commits into
deepmodeling:masterfrom
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ZLI-afk wants to merge 3 commits into
deepmodeling:masterfrom
ZLI-afk:devel

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@ZLI-afk

@ZLI-afk ZLI-afk commented Apr 19, 2024 •

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In respond to required function associated with recent discussion topic #641 and #642

Comment thread dpdata/system.py Outdated
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codecov Bot commented Apr 19, 2024 •

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Codecov Report

Attention: Patch coverage is 60.00000% with 2 lines in your changes are missing coverage. Please review.

Project coverage is 83.65%. Comparing base (a5ddff2) to head (f8d7389).

❗ Current head f8d7389 differs from pull request most recent head 01b43cb. Consider uploading reports for the commit 01b43cb to get more accurate results

Files Patch % Lines
dpdata/system.py 60.00% 2 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##            devel     #644      +/-   ##
==========================================
- Coverage   83.67%   83.65%   -0.02%     
==========================================
  Files          80       80              
  Lines        7006     7011       +5     
==========================================
+ Hits         5862     5865       +3     
- Misses       1144     1146       +2     

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@ZLI-afk
ZLI-afk requested a review from njzjz April 19, 2024 13:10

@njzjz-bot njzjz-bot left a comment

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Requesting changes because constructing an empty System and loading it later raises AttributeError before any post function can run. The branch must initialize this state before both constructor early returns, then be rebased and covered by chained-loading tests.

Process note: the Codex usage allowance is about to reset, so I am spending the remaining token budget now on this review.

Coding agent: Codex
Codex version: codex-cli 0.144.6
Model: gpt-5.6-sol
Reasoning effort: xhigh

Comment thread dpdata/system.py
return
if file_name is None:
return
self.post_func_skip_list = (

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[P1] Initialize the skip list before either early return

System() returns at file_name is None without defining post_func_skip_list. A later System().from_fmt(...) reaches the post-function branch and raises AttributeError, which I reproduced on this head. Move this initialization above both the data and file_name early-return blocks, and add a chained empty-constructor loading regression test. A complete GitHub suggestion cannot be attached to only these added lines because the fix must move them above unchanged context.

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The previously identified constructor-state blocker is still present on the current head and remains merge-blocking. post_func_skip_list is initialized only after the data is not None / file_name is None early-return paths, so a valid chained-loading pattern such as constructing an empty System() and later calling from_fmt(...) reaches from_fmt_obj() without that attribute and raises AttributeError before post-processing can run. The existing unresolved inline thread already pinpoints the exact location and fix direction, so I am not duplicating it.

Please initialize this state before either constructor early return and add a regression covering empty construction followed by from_fmt(...). The branch is also currently not mergeable against master, and there are no exact-head GitHub Actions workflow runs available for 01b43cbfc4d110b2aa33c7edc4ea39debe023cfe, so it will need a rebase and fresh validation after the correctness fix.

Agent: ChatGPT
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GitHub account: njzjz-bot
Reviewed head: 01b43cb
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3 participants