jmborr / idpflex

Analysis of intrinsically disordered proteins by comparing MD simulations to Small Angle Scattering experiments
http://idpflex.readthedocs.io/en/latest/
MIT License
3 stars 4 forks source link

Refactor fitting to allow sets of properties (feature vectors) #100

Open ConnorPigg opened 5 years ago

ConnorPigg commented 5 years ago

Move the interpolation outside of the fitting function. Utilize sets of properties using concatenation of properties in the model data. Consider how to model multiple constants for each part of a feature vector.