research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

Fixed handling of rate coefficient units in ck2cti.py

Browse source 
Units specified on the REACTIONS line were not being handled correctly,
causing the units(...) directive of the resulting .cti file to always have
the default units of 'cal/mol' and 'mol', but without correcting the values.
This commit is contained in:
Ray Speth 2012-08-15 15:14:08 +00:00
parent 16462628a7
commit b26f9f4ee2
1 changed files with 11 additions and 2 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

13
interfaces/python/ck2cti.py
View file

@ -60,6 +60,7 @@ UNIT_OPTIONS = {'CAL/': 'cal/mol',
'MOLEC': 'molec',
'MOLECULES': 'molec'}
PROCESSED_UNITS = False
ENERGY_UNITS = 'cal/mol'
QUANTITY_UNITS = 'mol'
@ -1220,8 +1221,16 @@ def loadChemkinFile(path, speciesList=None):
except IndexError:
pass
ENERGY_UNITS = UNIT_OPTIONS[energyUnits]
QUANTITY_UNITS = UNIT_OPTIONS[moleculeUnits]
global PROCESSED_UNITS, ENERGY_UNITS, UNIT_OPTIONS
if not PROCESSED_UNITS:
PROCESSED_UNITS = True
ENERGY_UNITS = UNIT_OPTIONS[energyUnits]
QUANTITY_UNITS = UNIT_OPTIONS[moleculeUnits]
else:
if (ENERGY_UNITS != UNIT_OPTIONS[energyUnits] or
QUANTITY_UNITS != UNIT_OPTIONS[moleculeUnits]):
raise InputParseError("Multiple REACTIONS sections with "
"different units are not supported.")
kineticsList = []
commentsList = []