[DNM] Feature noneq cycling extends #46
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* Added new (de)compression + (de)serialize functions in feflow.utils.data * Include compressed System, State, and Integrator as a result for the main simulation unit. * SetupUnits now take `extends_data`, which when populated, spoof the running of the `SetupUnit._execute` method. It instead immediately returns results with values consistent to the end state of the extended SimulationUnit. * Added new test `test_pdr_extend` to test the extension functionality.
for more information, see https://pre-commit.ci
GufeTokenizables must be JSON serializable, so including bytes is not an option. Instead, we take the compressed bytes and encode them into a Base64 string.
for more information, see https://pre-commit.ci
* When `mapping` is `None`, use the mapping provided by the ProtocolDAGResult
for more information, see https://pre-commit.ci
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #46 +/- ##
==========================================
- Coverage 92.06% 86.50% -5.57%
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Files 7 8 +1
Lines 416 1430 +1014
==========================================
+ Hits 383 1237 +854
- Misses 33 193 +160 ☔ View full report in Codecov by Sentry. |
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Just FYI, this is a PR made to CI test the changes from the original fork from @ianmkenney |
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see #44
this is a trick to get CI to run