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Pyteck Bug Fixes #23

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Pyteck Bug Fixes #23

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0b180cd
species key is now used when searching for target species
Jun 2, 2021
ac48631
The max value is now used as the true ignition delay from the list of…
Jul 6, 2021
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7 changes: 5 additions & 2 deletions pyteck/simulation.py
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Original file line number Diff line number Diff line change
Expand Up @@ -410,10 +410,13 @@ def setup_case(self, model_file, species_key, path=''):
ind = None
for sp in try_list:
try:
ind = self.gas.species_index(sp)
ind = self.gas.species_index(species_key[sp])
break
except ValueError:
pass
except KeyError:
pass


# store index of target species
if ind:
Expand Down Expand Up @@ -530,7 +533,7 @@ def process_results(self):
self.properties.ignition_target,
self.properties.ignition_type
)
self.meta['simulated-ignition-delay'] = (ignition_delays[0] - time_comp) * units.second
self.meta['simulated-ignition-delay'] = (ignition_delays[-1] - time_comp) * units.second
else:
warnings.warn('No ignition for case ' + self.meta['id'] +
', setting value to 0.0 and continuing',
Expand Down