We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
There was an error while loading. Please reload this page.
1 parent 3f105ab commit ed2fb1eCopy full SHA for ed2fb1e
src/rmstest.jl
@@ -6,16 +6,15 @@ const Chem = PythonCall.pynew()
6
const molecule = PythonCall.pynew()
7
const fragment = PythonCall.pynew()
8
const pydot = PythonCall.pynew()
9
-copy!(Chem,pyimport_conda("rdkit.Chem","rdkit","rmg"))
+pycopy!(Chem, pyimport("rdkit.Chem"))
10
try
11
- copy!(molecule, pyimport("rmgpy.molecule"))
12
- copy!(fragment, pyimport("rmgpy.molecule.fragment"))
+ pycopy!(molecule, pyimport("rmgpy.molecule"))
+ pycopy!(fragment, pyimport("rmgpy.molecule.fragment"))
13
catch e
14
- copy!(molecule, pyimport_conda("molecule.molecule", "rmgmolecule", "hwpang"))
15
- copy!(fragment, pyimport_conda("molecule.molecule.fragment", "rmgmolecule", "hwpang"))
+ pycopy!(molecule, pyimport("molecule.molecule"))
+ pycopy!(fragment, pyimport("molecule.molecule.fragment"))
16
end
17
-copy!(pydot,pyimport_conda("pydot","pydot","rmg"))
18
-
+pycopy!(pydot, pyimport("pydot"))
19
20
include("Constants.jl")
21
include("Tools.jl")
0 commit comments