Fix bug with loading molecule statmech during Rate jobs #73
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Codecov Report
@@ Coverage Diff @@
## master #73 +/- ##
==========================================
- Coverage 41.2% 41.18% -0.02%
==========================================
Files 22 22
Lines 4842 4844 +2
Branches 1251 1253 +2
==========================================
Hits 1995 1995
+ Misses 2534 2532 -2
- Partials 313 317 +4
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|
alongd
reviewed
Mar 1, 2019
arc/processor.py
Outdated
| @@ -198,10 +199,10 @@ def process(self): | |||
| species.rmg_thermo = self.rmgdb.thermo.getThermoData(species.rmg_species) | |||
| except ValueError: | |||
| logging.info('Could not retrieve RMG thermo for species {0}, possibly due to missing 2D structure ' | |||
| '(bond orders). Not including this species in the parity plots.'.format(species.label)) | |||
| '(bond orders). Not including this species in the parity plots.'.format(species.label)) | |||
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Can you remove this line from the commit?
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Rebased |
…nd to generate thermo for them
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Thanks! |
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This causes ARC to still load statmech for species it isn't calculating thermo for.