@@ -4,6 +4,7 @@ module ReactionMechanismSimulator
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const Chem = PyNULL ()
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const Desc = PyNULL ()
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const molecule = PyNULL ()
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+ const fragment = PyNULL ()
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const pydot = PyNULL ()
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const chemkin = PyNULL ()
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const species = PyNULL ()
@@ -29,6 +30,7 @@ module ReactionMechanismSimulator
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copy! (falloff,pyimport (" rmgpy.kinetics.falloff" ))
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copy! (chebyshev,pyimport (" rmgpy.kinetics.chebyshev" ))
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copy! (solvation,pyimport (" rmgpy.data.solvation" ))
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+ copy! (fragment,pyimport (" rmgpy.molecule.fragment" ))
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catch e
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copy! (molecule,pyimport_conda (" molecule.molecule" ," rmgmolecule" ," hwpang" ))
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copy! (chemkin,pyimport_conda (" molecule.chemkin" ," rmgmolecule" ," hwpang" ))
@@ -40,6 +42,7 @@ module ReactionMechanismSimulator
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copy! (falloff,pyimport_conda (" molecule.kinetics.falloff" ," rmgmolecule" ," hwpang" ))
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copy! (chebyshev,pyimport_conda (" molecule.kinetics.chebyshev" ," rmgmolecule" ," hwpang" ))
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copy! (solvation,pyimport_conda (" molecule.data.solvation" ," rmgmolecule" ," hwpang" ))
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+ copy! (fragment,pyimport_conda (" molecule.molecule.fragment" ," rmgmolecule" ," hwpang" ))
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end
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copy! (pydot,pyimport_conda (" pydot" ," pydot" ))
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copy! (os,pyimport_conda (" os" ," os" ))
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