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engine: implement sub-dicts for context in workchains #4871

Merged
merged 2 commits into from
Jun 4, 2021
Merged

engine: implement sub-dicts for context in workchains #4871

merged 2 commits into from
Jun 4, 2021

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dev-zero
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@dev-zero dev-zero commented Apr 26, 2021 •
edited by sphuber
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Fixes #4972

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dev-zero commented Apr 26, 2021 •
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@sphuber as discussed on Slack. Btw, there is still something fishy in the exception handling: I tried to add a test which triggers one of the AssertionError, but then the test always hang. Found the error: Awaitable are also AttributeDict, hence Duck typing failed and I was appending to an Awaitable, which then lead to a hang later on. The way I discovered it was:

  1. using py-spy to get a call stack for the hanging process and seeing that it wasn't hanging in an error handling path but waiting in nest-asyncio.
  2. using breakpoint() prior to _resolve_nested_context and then following the interpreter to discover that the assertion was not triggered but an Awaitable appended to an Awaitable

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also, I checked the codebase for other erroneous uses of assert, but didn't find any so far.

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codecov bot commented Apr 26, 2021 •
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Codecov Report

Merging #4871 (38da950) into develop (6c159ca) will increase coverage by 0.04%.
The diff coverage is 88.47%.

Impacted file tree graph

@@             Coverage Diff             @@
##           develop    #4871      +/-   ##
===========================================
+ Coverage    80.05%   80.09%   +0.04%     
===========================================
  Files          515      515              
  Lines        36611    36626      +15     
===========================================
+ Hits         29307    29333      +26     
+ Misses        7304     7293      -11
Flag Coverage Δ
django 74.55% <88.47%> (+0.07%) ⬆️
sqlalchemy 73.48% <88.47%> (+0.04%) ⬆️

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Impacted Files Coverage Δ
aiida/engine/processes/workchains/workchain.py 92.99% <88.47%> (+7.09%) ⬆️
aiida/engine/processes/workchains/awaitable.py 95.00% <0.00%> (+5.00%) ⬆️

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@dev-zero dev-zero force-pushed the feature/nested_to_context branch 2 times, most recently from 93db3db to cf7a823 Compare April 27, 2021 08:18
@dev-zero dev-zero requested a review from sphuber April 27, 2021 08:18
@dev-zero dev-zero force-pushed the feature/nested_to_context branch from cf7a823 to 422a6c3 Compare April 28, 2021 12:09
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sphuber requested changes Jun 3, 2021
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Thanks a lot @dev-zero . Overall I fully support the feature and implementation, just some minor comments. Also, it would be important to document this feature. I would suggest adding this to this section: https://aiida.readthedocs.io/projects/aiida-core/en/latest/topics/workflows/usage.html?highlight=append_#to-context

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@dev-zero dev-zero force-pushed the feature/nested_to_context branch 2 times, most recently from b60df9e to 874e018 Compare June 4, 2021 10:36
dev-zero added 2 commits June 4, 2021 15:40
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engine: implement sub-dicts for context in workchains
678dd0b 
Incidentally, this also fixes an issue where no exceptions were raised
for either unknown awaitable actions or awaitable mismatches for lists
of awaitables since an `assert "some str"` is always True (hence never
triggers).
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docs: document the workchain context nesting
38da950
@dev-zero dev-zero force-pushed the feature/nested_to_context branch from 874e018 to 38da950 Compare June 4, 2021 13:40
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dev-zero commented Jun 4, 2021

Thanks a lot @dev-zero . Overall I fully support the feature and implementation, just some minor comments. Also, it would be important to document this feature. I would suggest adding this to this section: https://aiida.readthedocs.io/projects/aiida-core/en/latest/topics/workflows/usage.html?highlight=append_#to-context

done

@dev-zero dev-zero requested a review from sphuber June 4, 2021 13:56
@sphuber sphuber merged commit 124fece into aiidateam:develop Jun 4, 2021
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sphuber commented Jun 4, 2021

Thanks a lot @dev-zero

@dev-zero dev-zero deleted the feature/nested_to_context branch June 4, 2021 14:33
@chrisjsewell chrisjsewell mentioned this pull request Mar 12, 2022
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Add support for implicit namespacing in the keys for WorkChain.to_context
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