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Description
Bug Description
When attempting to run the sensitivity analysis, I and another colleague receive the issue
Traceback (most recent call last):
File "/home/calvin/code/RMG-Py/scripts/simulate.py", line 38, in <module>
from rmgpy.tools.simulate import run_simulation
File "/home/calvin/code/RMG-Py/rmgpy/tools/simulate.py", line 35, in <module>
from rmgpy.kinetics.diffusionLimited import diffusion_limiter
File "/home/calvin/code/RMG-Py/rmgpy/kinetics/diffusionLimited.py", line 37, in <module>
from rmgpy.species import Species
File "rmgpy/species.py", line 57, in init rmgpy.species
File "/home/calvin/code/RMG-Py/rmgpy/pdep/__init__.py", line 32, in <module>
from rmgpy.pdep.network import Network
File "/home/calvin/code/RMG-Py/rmgpy/pdep/network.py", line 41, in <module>
from rmgpy.reaction import Reaction
File "rmgpy/reaction.py", line 59, in init rmgpy.reaction
ImportError: cannot import name diffusion_limiterThe current fix I do is to move the import of Species from the top of diffusionLimited.py file, and make it a local import in the get_diffusion_limit function.
How To Reproduce
Run an RMG model, then do the sensitivity analysis. I will attach the input.py I used, but I think maybe superminimal should be fine to show the issue.
Expected Behavior
Run RMG, then afterwards, edit the input and provide the sensitivity and sensitivityThreshold blocks, then run this line python simulate.py input.py chem.inp species_dictionary.txt
Installation Information
Describe your installation method and system information.
- OS (include version if known): (e.g. Windows 10, Ubuntu 18, macOS 10.13, etc.)
- Installation method: (e.g. installation from binary or source, with or without anaconda)
- RMG version information:
- RMG-Py: d1379a7 (the git describe --tags didnt output a name but it is the latest)
- RMG-database: 3.30
Additional Context
If you run the input.py I attach, there is another error that TypeError: Cannot convert 'complex' with non-zero imaginary component to 'double' (this most likely comes from the '**' operator; use 'cython.cpow(True)' to return 'nan' instead of a complex number).
But I can open an additional
issue for that