remove reusable workflow logic, make RMG_DATABSE_BRANCH file-scoped #2512
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What's the idea here? (perhaps you can updated the summary to answer) We stop trying to make a re-usable workflow, and just have a similar-ish workflow action in the RMG-database repository? That sounds reasonable. Downside is we'd have to remember to maintain it independently when we make tweaks and improvements to this workflow. Upsides are: it's simpler to get running, and it could be tailored to just database testing (eg. skip the unit test - just do database tests and regression tests). Am I understanding correctly? |
Regression Testing Results
Detailed regression test results.Regression test aromatics:Reference: Execution time (DD:HH:MM:SS): 00:00:01:47 aromatics Passed Core Comparison ✅Original model has 15 species. aromatics Passed Edge Comparison ✅Original model has 106 species.
Observables Test Case: Aromatics Comparison
✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions! aromatics Passed Observable Testing ✅Regression test liquid_oxidation:Reference: Execution time (DD:HH:MM:SS): 00:00:03:41 liquid_oxidation Failed Core Comparison ❌Original model has 37 species. Non-identical kinetics! ❌
kinetics: liquid_oxidation Failed Edge Comparison ❌Original model has 202 species. Non-identical kinetics! ❌
kinetics:
Observables Test Case: liquid_oxidation Comparison
✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions! liquid_oxidation Passed Observable Testing ✅Regression test nitrogen:Reference: Execution time (DD:HH:MM:SS): 00:00:02:20 nitrogen Passed Core Comparison ✅Original model has 41 species. nitrogen Failed Edge Comparison ❌Original model has 132 species. Non-identical thermo! ❌
thermo: Thermo group additivity estimation: group(O2s-CdN3d) + group(N3d-OCd) + group(Cd-HN3dO) + ring(oxirene) + radical(CdJ-NdO) Non-identical kinetics! ❌
kinetics:
Observables Test Case: NC Comparison
✅ All Observables varied by less than 0.200 on average between old model and new model in all conditions! nitrogen Passed Observable Testing ✅Regression test oxidation:Reference: Execution time (DD:HH:MM:SS): 00:00:03:47 oxidation Passed Core Comparison ✅Original model has 59 species. oxidation Passed Edge Comparison ✅Original model has 230 species.
Observables Test Case: Oxidation Comparison
✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions! oxidation Passed Observable Testing ✅Regression test sulfur:Reference: Execution time (DD:HH:MM:SS): 00:00:01:31 sulfur Passed Core Comparison ✅Original model has 27 species. sulfur Failed Edge Comparison ❌Original model has 89 species.
Observables Test Case: SO2 Comparison
The following observables did not match: ❌ Observable species O=S=O varied by more than 0.100 on average between old model SO2(15) and new model SO2(15) in condition 1.
sulfur Failed Observable Testing ❌Regression test superminimal:Reference: Execution time (DD:HH:MM:SS): 00:00:00:59 superminimal Passed Core Comparison ✅Original model has 13 species. superminimal Failed Edge Comparison ❌Original model has 18 species. Non-identical kinetics! ❌
kinetics: Regression test RMS_constantVIdealGasReactor_superminimal:Reference: Execution time (DD:HH:MM:SS): 00:00:04:14 RMS_constantVIdealGasReactor_superminimal Passed Core Comparison ✅Original model has 13 species. RMS_constantVIdealGasReactor_superminimal Passed Edge Comparison ✅Original model has 13 species.
Observables Test Case: RMS_constantVIdealGasReactor_superminimal Comparison
✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions! RMS_constantVIdealGasReactor_superminimal Passed Observable Testing ✅Regression test RMS_CSTR_liquid_oxidation:Reference: Execution time (DD:HH:MM:SS): 00:00:10:18 RMS_CSTR_liquid_oxidation Failed Core Comparison ❌Original model has 37 species. RMS_CSTR_liquid_oxidation Failed Edge Comparison ❌Original model has 206 species.
Observables Test Case: RMS_CSTR_liquid_oxidation Comparison
✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions! RMS_CSTR_liquid_oxidation Passed Observable Testing ✅beep boop this comment was written by a bot 🤖 |
Codecov Report
@@ Coverage Diff @@
## main #2512 +/- ##
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Coverage 48.54% 48.54%
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Files 110 110
Lines 30812 30812
Branches 8054 8054
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Hits 14959 14959
- Misses 14329 14330 +1
+ Partials 1524 1523 -1 see 1 file with indirect coverage changes 📣 We’re building smart automated test selection to slash your CI/CD build times. Learn more |
This is what we did in the (abandoned) PR ReactionMechanismGenerator#2510 and should have been done in PR ReactionMechanismGenerator#2512. It means that when the CI runs on pushes to a forked repository, it checks out that forked repository.
See #2510 (comment)
Re-using the RMG-Py workflow removes the ability to (easily) run the tests from forks or to target forks, so we will instead copy the testing action and test files to RMG-database. The workflow will be similar but (as mentioned below) can skip some steps.