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Delay import of Julia things from input.py
To avoid loading Julia stuff when not needed, I have moved the CoreEdgeReactionModel import from the input.py into the only method that uses it, and likewise for various reactor types.
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Lines changed: 7 additions & 4 deletions

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rmgpy/rmg/input.py

Lines changed: 7 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -38,7 +38,6 @@
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from rmgpy.exceptions import DatabaseError, InputError
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from rmgpy.molecule import Molecule, Group
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from rmgpy.quantity import Quantity, Energy, RateCoefficient, SurfaceConcentration
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from rmgpy.rmg.model import CoreEdgeReactionModel
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from rmgpy.rmg.settings import ModelSettings, SimulatorSettings
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from rmgpy.solver.termination import TerminationTime, TerminationConversion, TerminationRateRatio
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from rmgpy.solver.liquid import LiquidReactor
@@ -47,7 +46,7 @@
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from rmgpy.solver.surface import SurfaceReactor
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from rmgpy.util import as_list
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from rmgpy.data.surface import MetalDatabase
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from rmgpy.rmg.reactors import Reactor, ConstantVIdealGasReactor, ConstantTLiquidSurfaceReactor, ConstantTVLiquidReactor, ConstantTPIdealGasReactor
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from rmgpy.data.vaporLiquidMassTransfer import liquidVolumetricMassTransferCoefficientPowerLaw
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from rmgpy.molecule.fragment import Fragment
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@@ -432,7 +431,7 @@ def constant_V_ideal_gas_reactor(temperature,
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terminationRateRatio=None,
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balanceSpecies=None):
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logging.debug('Found ConstantVIdealGasReactor reaction system')
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from rmgpy.rmg.reactors import ConstantVIdealGasReactor
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for key, value in initialMoleFractions.items():
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if not isinstance(value, list):
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initialMoleFractions[key] = float(value)
@@ -533,6 +532,7 @@ def constant_TP_ideal_gas_reactor(temperature,
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terminationRateRatio=None,
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balanceSpecies=None):
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logging.debug('Found ConstantTPIdealGasReactor reaction system')
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from rmgpy.rmg.reactors import ConstantTPIdealGasReactor
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for key, value in initialMoleFractions.items():
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if not isinstance(value, list):
@@ -635,6 +635,7 @@ def liquid_cat_reactor(temperature,
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terminationTime=None,
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terminationRateRatio=None,
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constantSpecies=[]):
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from rmgpy.rmg.reactors import ConstantTLiquidSurfaceReactor
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for spec, conc in initialConcentrations.items():
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if not isinstance(conc, list):
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concentration = Quantity(conc)
@@ -730,7 +731,7 @@ def constant_T_V_liquid_reactor(temperature,
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terminationRateRatio=None,
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constantSpecies=[]):
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from rmgpy.rmg.reactors import ConstantTVLiquidReactor
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################################################# check input ########################################################
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if not isinstance(temperature, list):
@@ -1493,6 +1494,8 @@ def read_input_file(path, rmg0):
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`rmg`.
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"""
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global rmg, species_dict, mol_to_frag
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from rmgpy.rmg.model import CoreEdgeReactionModel
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from rmgpy.rmg.reactors import Reactor
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full_path = os.path.abspath(os.path.expandvars(path))
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try:

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