Allow Resurrection from Failed Filter Simulations #1371
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mjohnson541
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@@ Coverage Diff @@
## master #1371 +/- ##
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- Coverage 42.18% 42.18% -0.01%
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Files 172 172
Lines 28001 28005 +4
Branches 5503 5503
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Hits 11813 11813
- Misses 15393 15397 +4
Partials 795 795
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alongd
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May 23, 2018
rmgpy/rmg/main.py
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| @@ -735,9 +736,14 @@ def execute(self, **kwargs): | |||
| simulatorSettings = simulatorSettings, | |||
| conditions = self.rmg_memories[index].get_cond() | |||
| ) | |||
| self.updateReactionThresholdAndReactFlags( | |||
| self.updateReactionThresholdAndReactFlags( | |||
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I think here we're capturing exceptions from simulate(). Perhaps updateReactionThresholdAndReactFlags should be relocated to an else clause after the try-except?
This allows model runs to continue after failed filter simulations. However, its worth noting that since the filter simulation failed nothing is reacted until a filter simulation succeeds.
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Ok, I've made that change is this ready to merge? |
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This adds a try except that allows model runs to continue after failed filter simulations. I believe this caused #1367 and #1258. It worked as expected on the example in #1367. However, its worth noting that nothing is reacted until a regular or a filter simulation succeeds and changes the react flags. In the example in #1367 the run doesn't recover which results in the resurrection process consuming species from the edge until the edge is empty and then crashing.