OpenFreeEnergy / gufe

grand unified free energy by OpenFE
https://gufe.readthedocs.io
MIT License
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[WIP] Use `StorageManager` in `execute_DAG` #258

Open dwhswenson opened 11 months ago

dwhswenson commented 11 months ago

This is a subset of the work in #234, split off to facilitate review. This PR will merge into #186 (making it easier to see the additions specific to the PR, but meaning that this should be merged before that). It also includes the work in #257 (one of the old tests fails without that).

This PR integrates StorageManager into execute_DAG. Note that this still isn't a complete replacement of the storage system: a follow-up PR will handle serialization of StagingPaths.

TODO:

pep8speaks commented 11 months ago

Hello @dwhswenson! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:

Line 384:80: E501 line too long (82 > 79 characters) Line 385:80: E501 line too long (82 > 79 characters) Line 393:80: E501 line too long (80 > 79 characters)

Line 68:1: E303 too many blank lines (3)

Comment last updated at 2024-01-22 17:35:11 UTC