tomas3svoboda / ChroMo

Chromatography model determination
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Iso_Decision.py #10

Open meloun67 opened 2 years ago

meloun67 commented 2 years ago

Function witch asigns linear or nonlinear isotherm to each compound based on ExpIso (one timeseries for each component).

svoboad3 commented 2 years ago

Ok this should be done

It returns a dictionary, where keys are component names (same as in expIso) and value is string corresponding to chosen solver. We can then easily use this string to select correct solver. For this I have created a Single_Loss_Function_Choice and Solver_Choice, which based on input string selects correct solver/single loss function.

When adding a new solver or loss function, I just need to add it also as choice in these functions.

Also for further development, I will try to come up with smarter solution for the 'params' object passed in all these functions. So far with one functioning solver it wasn't a problem, but with more it would get messy very quickly.

meloun67 commented 2 years ago

Good job. And good point. I do have developing of new solvers on my to-do list. I will keep you informed so we can add so.e functionality. At the moment, I would like to have two solvers (explicit and implicit) for each case - linear, Langmuir, Freundlich... but it may change... I would really use a hand with this, but I really dont want to force you. On the other hand, you said that you will need to finnish math exam and this is pure math... let me know if you wanted to take this task, I would give you