update

Author: hwpang

src/ReactionMechanismSimulator.jl

@@ -18,35 +18,35 @@ const solvation = PythonCall.pynew()
 const fragment = PythonCall.pynew()
 const pydot = PythonCall.pynew()
 function __init__()
-    pycopy!(Chem, pyimport("rdkit.Chem"))
-    pycopy!(Desc, pyimport("rdkit.Chem.Descriptors"))
+    PythonCall.pycopy!(Chem, pyimport("rdkit.Chem"))
+    PythonCall.pycopy!(Desc, pyimport("rdkit.Chem.Descriptors"))
     try
-        pycopy!(molecule, pyimport("rmgpy.molecule"))
-        pycopy!(chemkin, pyimport("rmgpy.chemkin"))
-        pycopy!(species, pyimport("rmgpy.species"))
-        pycopy!(reaction, pyimport("rmgpy.reaction"))
-        pycopy!(nasa, pyimport("rmgpy.thermo.nasa"))
-        pycopy!(wilhoit, pyimport("rmgpy.thermo.wilhoit"))
-        pycopy!(arrhenius, pyimport("rmgpy.kinetics.arrhenius"))
-        pycopy!(falloff, pyimport("rmgpy.kinetics.falloff"))
-        pycopy!(chebyshev, pyimport("rmgpy.kinetics.chebyshev"))
-        pycopy!(solvation, pyimport("rmgpy.data.solvation"))
-        pycopy!(fragment, pyimport("rmgpy.molecule.fragment"))
+        PythonCall.pycopy!(molecule, pyimport("rmgpy.molecule"))
+        PythonCall.pycopy!(chemkin, pyimport("rmgpy.chemkin"))
+        PythonCall.pycopy!(species, pyimport("rmgpy.species"))
+        PythonCall.pycopy!(reaction, pyimport("rmgpy.reaction"))
+        PythonCall.pycopy!(nasa, pyimport("rmgpy.thermo.nasa"))
+        PythonCall.pycopy!(wilhoit, pyimport("rmgpy.thermo.wilhoit"))
+        PythonCall.pycopy!(arrhenius, pyimport("rmgpy.kinetics.arrhenius"))
+        PythonCall.pycopy!(falloff, pyimport("rmgpy.kinetics.falloff"))
+        PythonCall.pycopy!(chebyshev, pyimport("rmgpy.kinetics.chebyshev"))
+        PythonCall.pycopy!(solvation, pyimport("rmgpy.data.solvation"))
+        PythonCall.pycopy!(fragment, pyimport("rmgpy.molecule.fragment"))
     catch e
-        pycopy!(molecule, pyimport("molecule.molecule"))
-        pycopy!(chemkin, pyimport("molecule.chemkin"))
-        pycopy!(species, pyimport("molecule.species"))
-        pycopy!(reaction, pyimport("molecule.reaction"))
-        pycopy!(nasa, pyimport("molecule.thermo.nasa"))
-        pycopy!(wilhoit, pyimport("molecule.thermo.wilhoit"))
-        pycopy!(arrhenius, pyimport("molecule.kinetics.arrhenius"))
-        pycopy!(falloff, pyimport("molecule.kinetics.falloff"))
-        pycopy!(chebyshev, pyimport("molecule.kinetics.chebyshev"))
-        pycopy!(solvation, pyimport("molecule.data.solvation"))
-        pycopy!(fragment, pyimport("molecule.molecule.fragment"))
+        PythonCall.pycopy!(molecule, pyimport("molecule.molecule"))
+        PythonCall.pycopy!(chemkin, pyimport("molecule.chemkin"))
+        PythonCall.pycopy!(species, pyimport("molecule.species"))
+        PythonCall.pycopy!(reaction, pyimport("molecule.reaction"))
+        PythonCall.pycopy!(nasa, pyimport("molecule.thermo.nasa"))
+        PythonCall.pycopy!(wilhoit, pyimport("molecule.thermo.wilhoit"))
+        PythonCall.pycopy!(arrhenius, pyimport("molecule.kinetics.arrhenius"))
+        PythonCall.pycopy!(falloff, pyimport("molecule.kinetics.falloff"))
+        PythonCall.pycopy!(chebyshev, pyimport("molecule.kinetics.chebyshev"))
+        PythonCall.pycopy!(solvation, pyimport("molecule.data.solvation"))
+        PythonCall.pycopy!(fragment, pyimport("molecule.molecule.fragment"))
     end
-    pycopy!(pydot, pyimport("pydot"))
-    pycopy!(os, pyimport("os"))
+    PythonCall.pycopy!(pydot, pyimport("pydot"))
+    PythonCall.pycopy!(os, pyimport("os"))
     pydot[] = pyimport("pydot")
 end
 include("Constants.jl")

src/rmstest.jl

@@ -6,15 +6,15 @@ const Chem = PythonCall.pynew()
 const molecule = PythonCall.pynew()
 const fragment = PythonCall.pynew()
 const pydot = PythonCall.pynew()
-pycopy!(Chem, pyimport("rdkit.Chem"))
+PythonCall.pycopy!(Chem, pyimport("rdkit.Chem"))
 try
-    pycopy!(molecule, pyimport("rmgpy.molecule"))
-    pycopy!(fragment, pyimport("rmgpy.molecule.fragment"))
+    PythonCall.pycopy!(molecule, pyimport("rmgpy.molecule"))
+    PythonCall.pycopy!(fragment, pyimport("rmgpy.molecule.fragment"))
 catch e
-    pycopy!(molecule, pyimport("molecule.molecule"))
-    pycopy!(fragment, pyimport("molecule.molecule.fragment"))
+    PythonCall.pycopy!(molecule, pyimport("molecule.molecule"))
+    PythonCall.pycopy!(fragment, pyimport("molecule.molecule.fragment"))
 end
-pycopy!(pydot, pyimport("pydot"))
+PythonCall.pycopy!(pydot, pyimport("pydot"))
 
 include("Constants.jl")
 include("Tools.jl")