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Coverage ? 76.71%
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This pull request adds pytfa to simulations and an interface to access the thermodynamic flux balance analysis (TMFA). This also includes a new simulation method: tmfa. At the moment, the method can just be used if metabolomics data is provided, therefore the models are prepared only when TMFA is called, to avoid useless computation.
The equilibrator side failed for some of the models so I decided to go with the thermoDB provided in the pytfa repository.
Unresolved yet:
- Answer: both. If the model cannot grow, thermodynamics constrained are relaxed. After that, growth is checked again and further relaxations on the metabolomics constraints are applied if needed.