biosustain / biosustain/multitfa
Setting temperature
- Dominant language
- Python
- Stars
- 9
- Forks
- 3
- PR merge metrics
- No merged PRs in 30d
Description
### Is your feature related to a problem? Please describe it.
I would like to change the temperature for the calculation of $\Delta G_f$. As far as I understand, right now it uses the default temperature 298.15K.
## Describe the solution you would like.
It can be added to one of the input dictionaries that are supplied for the `tmodel` construction, or to a new one.
```python
comp_info = {
"pH": {"c": 7, "e": 6.4},
"I": {"c": 0.25, "e": 0},
"T": "310K",
}
thermo_model = tmodel(
model,
compartment_info=pd.DataFrame(data=comp_info),
)
```
I can make a PR, maybe after #28.
## Describe alternatives you considered
Perhaps, the `comparment_info` argument should be changed after this since `T` is not particularly tied to a compartment (someone might have a use case for different temperatures per compartment, I don't know). As aforementioned, it could be a different argument to the `__init__` function.
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