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src/ReactionMechanismSimulator.jl

Lines changed: 14 additions & 14 deletions
Original file line numberDiff line numberDiff line change
@@ -3,20 +3,20 @@ import Logging
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Logging.disable_logging(Logging.Warn)
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using PythonCall
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pyimport("sys").path.append("")
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const Chem = pynew()
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const Desc = pynew()
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const molecule = pynew()
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const chemkin = pynew()
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const species = pynew()
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const reaction = pynew()
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const nasa = pynew()
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const wilhoit = pynew()
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const arrhenius = pynew()
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const falloff = pynew()
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const chebyshev = pynew()
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const solvation = pynew()
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const fragment = pynew()
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const pydot = pynew()
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const Chem = PythonCall.pynew()
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const Desc = PythonCall.pynew()
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const molecule = PythonCall.pynew()
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const chemkin = PythonCall.pynew()
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const species = PythonCall.pynew()
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const reaction = PythonCall.pynew()
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const nasa = PythonCall.pynew()
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const wilhoit = PythonCall.pynew()
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const arrhenius = PythonCall.pynew()
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const falloff = PythonCall.pynew()
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const chebyshev = PythonCall.pynew()
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const solvation = PythonCall.pynew()
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const fragment = PythonCall.pynew()
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const pydot = PythonCall.pynew()
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function __init__()
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pycopy!(Chem, pyimport("rdkit.Chem"))
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pycopy!(Desc, pyimport("rdkit.Chem.Descriptors"))

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