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Fix indentation bug and variable name in importChemkinLibrary.py #362

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Fix indentation bug and variable name in importChemkinLibrary.py #362

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088008b
Fix indentation bug
Oct 12, 2019
32eb95c
Fix variable name bug in import chemkin script
Oct 12, 2019
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8 changes: 4 additions & 4 deletions scripts/importChemkinLibrary.py
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Original file line number Diff line number Diff line change
Expand Up @@ -13,7 +13,7 @@
from rmgpy.data.thermo import ThermoLibrary
from rmgpy.data.kinetics import KineticsLibrary
from rmgpy.data.base import Entry
from rmgpy.chemkin import loadChemkinFile, getSpeciesIdentifier
from rmgpy.chemkin import load_chemkin_file, get_species_identifier
from rmgpy import settings

if __name__ == '__main__':
Expand All @@ -31,11 +31,11 @@
dictionaryPath = args.dictionaryPath[0]
name = args.name[0]

speciesList, reactionList = loadChemkinFile(chemkinPath, dictionaryPath)
speciesList, reactionList = load_chemkin_file(chemkinPath, dictionaryPath)

# Make full species identifier the species labels
for species in speciesList:
species.label = getSpeciesIdentifier(species)
species.label = get_species_identifier(species)
species.index = -1
# load thermo library entries
thermoLibrary = ThermoLibrary(name=name)
Expand Down Expand Up @@ -64,7 +64,7 @@
)
try:
entry.longDesc = 'Originally from reaction library: ' + reaction.library + "\n" + reaction.kinetics.comment
except AttributeError:
except AttributeError:
entry.longDesc = reaction.kinetics.comment
kineticsLibrary.entries[i+1] = entry

Expand Down