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Modifying input.py in Arkane so it can read network.py files that hav… #2778

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Modifying input.py in Arkane so it can read network.py files that hav… #2778

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11 changes: 9 additions & 2 deletions arkane/input.py
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Original file line number Diff line number Diff line change
Expand Up @@ -60,6 +60,7 @@
from rmgpy.thermo.wilhoit import Wilhoit
from rmgpy.kinetics.uncertainties import RateUncertainty
from rmgpy.transport import TransportData
from rmgpy.data.solvation import SoluteTSData
from rmgpy.util import as_list

from arkane.common import is_pdep
Expand Down Expand Up @@ -635,6 +636,7 @@ def load_input_file(path):
'database': database,
# Jobs
'kinetics': kinetics,
'SoluteTSData': SoluteTSData,
'statmech': statmech,
'thermo': thermo,
'pressureDependence': pressureDependence,
Expand All @@ -652,10 +654,15 @@ def load_input_file(path):
load_necessary_databases()

with open(path, 'r') as f:
content = f.read()
try:
exec(f.read(), global_context, local_context)
except (NameError, TypeError, SyntaxError):
exec(content, global_context, local_context)
except (NameError, TypeError, SyntaxError) as e:
logging.error('The input file {0!r} was invalid:'.format(path))
line_number = e.__traceback__.tb_next.tb_lineno
logging.error(f'Error occurred at or near line {line_number} of {path}.')
lines = content.splitlines()
logging.error(f'Line: {lines[line_number - 1]}')
raise

model_chemistry = local_context.get('modelChemistry', None)
Expand Down
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