update

ReactionMechanismGenerator · Mar 21, 2024 · bb14830 · bb14830
1 parent bb04d75
commit bb14830
Showing 1 changed file with 41 additions and 26 deletions.
diff --git a/src/ReactionMechanismSimulator.jl b/src/ReactionMechanismSimulator.jl
@@ -3,36 +3,51 @@ import Logging
 Logging.disable_logging(Logging.Warn)
 using PythonCall
 pyimport("sys").path.append("")
+const Chem = Ref{Py}()
+const Desc = Ref{Py}()
+const molecule = Ref{Py}()
+const chemkin = Ref{Py}()
+const species = Ref{Py}()
+const reaction = Ref{Py}()
+const nasa = Ref{Py}()
+const wilhoit = Ref{Py}()
+const arrhenius = Ref{Py}()
+const falloff = Ref{Py}()
+const chebyshev = Ref{Py}()
+const solvation = Ref{Py}()
+const fragment = Ref{Py}()
+const pydot = Ref{Py}()
+const os = Ref{Py}()
 function __init__()
-    Chem = @pyconst(pyimport("rdkit.Chem"))
-    Desc = @pyconst(pyimport("rdkit.Chem.Descriptors"))
+    Chem[] = pyimport("rdkit.Chem")
+    Desc[] = pyimport("rdkit.Chem.Descriptors")
     try
-        molecule = @pyconst(pyimport("rmgpy.molecule"))
-        chemkin = @pyconst(pyimport("rmgpy.chemkin"))
-        species = @pyconst(pyimport("rmgpy.species"))
-        reaction = @pyconst(pyimport("rmgpy.reaction"))
-        nasa = @pyconst(pyimport("rmgpy.thermo.nasa"))
-        wilhoit = @pyconst(pyimport("rmgpy.thermo.wilhoit"))
-        arrhenius = @pyconst(pyimport("rmgpy.kinetics.arrhenius"))
-        falloff = @pyconst(pyimport("rmgpy.kinetics.falloff"))
-        chebyshev = @pyconst(pyimport("rmgpy.kinetics.chebyshev"))
-        solvation = @pyconst(pyimport("rmgpy.data.solvation"))
-        fragment = @pyconst(pyimport("rmgpy.molecule.fragment"))
+        molecule[] = pyimport("rmgpy.molecule")
+        chemkin[] = pyimport("rmgpy.chemkin")
+        species[] = pyimport("rmgpy.species")
+        reaction[] = pyimport("rmgpy.reaction")
+        nasa[] = pyimport("rmgpy.thermo.nasa")
+        wilhoit[] = pyimport("rmgpy.thermo.wilhoit")
+        arrhenius[] = pyimport("rmgpy.kinetics.arrhenius")
+        falloff[] = pyimport("rmgpy.kinetics.falloff")
+        chebyshev[] = pyimport("rmgpy.kinetics.chebyshev")
+        solvation[] = pyimport("rmgpy.data.solvation")
+        fragment[] = pyimport("rmgpy.molecule.fragment")
     catch e
-        molecule = @pyconst(pyimport("molecule.molecule"))
-        chemkin = @pyconst(pyimport("molecule.chemkin"))
-        species = @pyconst(pyimport("molecule.species"))
-        reaction = @pyconst(pyimport("molecule.reaction"))
-        nasa = @pyconst(pyimport("molecule.thermo.nasa"))
-        wilhoit = @pyconst(pyimport("molecule.thermo.wilhoit"))
-        arrhenius = @pyconst(pyimport("molecule.kinetics.arrhenius"))
-        falloff = @pyconst(pyimport("molecule.kinetics.falloff"))
-        chebyshev = @pyconst(pyimport("molecule.kinetics.chebyshev"))
-        solvation = @pyconst(pyimport("molecule.data.solvation"))
-        fragment = @pyconst(pyimport("molecule.molecule.fragment"))
+        molecule[] = pyimport("molecule.molecule")
+        chemkin[] = pyimport("molecule.chemkin")
+        species[] = pyimport("molecule.species")
+        reaction[] = pyimport("molecule.reaction")
+        nasa[] = pyimport("molecule.thermo.nasa")
+        wilhoit[] = pyimport("molecule.thermo.wilhoit")
+        arrhenius[] = pyimport("molecule.kinetics.arrhenius")
+        falloff[] = pyimport("molecule.kinetics.falloff")
+        chebyshev[] = pyimport("molecule.kinetics.chebyshev")
+        solvation[] = pyimport("molecule.data.solvation")
+        fragment[] = pyimport("molecule.molecule.fragment")
     end
-    pydot = @pyconst(pyimport("pydot"))
-    os = @pyconst(pyimport("os"))
+    pydot[] = pyimport("pydot")
+    os[] = pyimport("os")
 end
 include("Constants.jl")
 include("Tools.jl")