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1 | 1 | import Logging
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2 | 2 | Logging.disable_logging(Logging.Warn)
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3 | 3 |
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4 |
| -using PyCall |
5 |
| -const Chem = PyNULL() |
6 |
| -const molecule = PyNULL() |
7 |
| -const fragment = PyNULL() |
8 |
| -const pydot = PyNULL() |
9 |
| -copy!(Chem,pyimport_conda("rdkit.Chem","rdkit","rmg")) |
| 4 | +using PythonCall |
| 5 | +const Chem = PythonCall.pynew() |
| 6 | +const molecule = PythonCall.pynew() |
| 7 | +const fragment = PythonCall.pynew() |
| 8 | +const pydot = PythonCall.pynew() |
| 9 | +PythonCall.pycopy!(Chem, pyimport("rdkit.Chem")) |
10 | 10 | try
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11 |
| - copy!(molecule, pyimport("rmgpy.molecule")) |
12 |
| - copy!(fragment, pyimport("rmgpy.molecule.fragment")) |
| 11 | + PythonCall.pycopy!(molecule, pyimport("rmgpy.molecule")) |
| 12 | + PythonCall.pycopy!(fragment, pyimport("rmgpy.molecule.fragment")) |
13 | 13 | catch e
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14 |
| - copy!(molecule, pyimport_conda("molecule.molecule", "rmgmolecule", "hwpang")) |
15 |
| - copy!(fragment, pyimport_conda("molecule.molecule.fragment", "rmgmolecule", "hwpang")) |
| 14 | + PythonCall.pycopy!(molecule, pyimport("molecule.molecule")) |
| 15 | + PythonCall.pycopy!(fragment, pyimport("molecule.molecule.fragment")) |
16 | 16 | end
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17 |
| -copy!(pydot,pyimport_conda("pydot","pydot","rmg")) |
18 |
| - |
| 17 | +PythonCall.pycopy!(pydot, pyimport("pydot")) |
19 | 18 |
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20 | 19 | include("Constants.jl")
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21 | 20 | include("Tools.jl")
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