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TODO.txt
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- camelCase --> snake_case
- run through the black formatter
- MANIFEST.in has now a relative path, which results in a separate pyjac2foam dir under conda environment installation path.
- Consider including under the main ct2foam package folder.
- in test_thermo_transport.py you could get test_data path relative to the one in pip installation
--> enables running unittests anywhere. No they must be run under ct2foam folder.
- OF writer
- nMoles 1; entry may be unnexessary nowadays
- correct_coeffs() function could be tidied up by using the existing nasa-functions.
- Tcommon not required to be within the fit as a data point --> would simplify the setup
- You could avoid calling Tc_i in fitting functions.
- There should be no need to include Tcommon twice in the matrix equation as it is done at the moment
- consider creating TransportData, TransportFit etc data classes to structure the modules
- enables you to avoid use of tuples as function arguments in utilities
- Downside is that you would need to use lists for including these classes per specie
--> prevents use of many 2d compatible functions (not really required at the moment though)
- example:
from dataclasses import dataclass
@dataclass
class TransportFit:
'''Class for keeping track of transport dit data for easier use in the following functions'''
name: str
As: float
Ts: int = 0
- Throughout the code, efficiency could be enhanced by optimizing for loops to vectorized operations in numpy. However, for the time being
function access to Cantera transport properties is more of a bottle neck as well as the loading of the environment.
- python-3.6 does not support Path.unlink(exists_ok=True) --> fix in ct2foam_utils if pyjac updates some day.