RMG-Py
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NotImplementedError: Can't check isomorphism of lists with 4 species/molecules
Hi, I am trying to merge two models with the script in RMG-Py/scripts. This time it seems that it's the problem of isomorphism. I am confused since I think RMG could check the repeatability in the models. Could you tell me how to check the isomorphism problems in two models? The followings are the error info:
**Ignoring common species and reactions from model #1...
Added 493 out of 493 (100.0%) unique species from model #1.
Added 2643 out of 2643 (100.0%) unique reactions from model #1.
Ignoring common species and reactions from model #2...
Species CH3OCHO thermo from model 1 did not match that of model 2.
Species CH3OCO thermo from model 1 did not match that of model 2.
Species CH2OCHO thermo from model 1 did not match that of model 2.
Reaction CH3 + OH <=> CH2(S) + H2O kinetics from model 1 did not match that of model 2.
Reaction C2H + O <=> CO + CHV kinetics from model 1 did not match that of model 2.
Traceback (most recent call last):
File "//home/zhuqiren/anaconda3/envs/rmg_env/lib/python3.7/site-packages/julia/pseudo_python_cli.py", line 308, in main
python(**vars(ns))
File "//home/zhuqiren/anaconda3/envs/rmg_env/lib/python3.7/site-packages/julia/pseudo_python_cli.py", line 59, in python
scope = runpy.run_path(script, run_name="main")
File "//home/zhuqiren/anaconda3/envs/rmg_env/lib/python3.7/runpy.py", line 263, in run_path
pkg_name=pkg_name, script_name=fname)
File "//home/zhuqiren/anaconda3/envs/rmg_env/lib/python3.7/runpy.py", line 96, in _run_module_code
mod_name, mod_spec, pkg_name, script_name)
File "//home/zhuqiren/anaconda3/envs/rmg_env/lib/python3.7/runpy.py", line 85, in _run_code
exec(code, run_globals)
File "/home/zhuqiren/RMG-Py/scripts/mergeModels.py", line 52, in