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jmborr / idpflex

Analysis of intrinsically disordered proteins by comparing MD simulations to Small Angle Scattering experiments
http://idpflex.readthedocs.io/en/latest/
MIT License
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TabulatedModel x fitting data that works for single property or property group #105

Open ConnorPigg opened 5 years ago

ConnorPigg commented 5 years ago

The tabulated model should be able to accept x values to be used to fit either a single property or a composite model for multiple properties. The problem is that there is not enough information to distinguish if the x is a feature_domain of a set of properties or simply a set of x. If it is a feature_domain, how to identify the slice to use as the x for interpolation? This problem does not occur for the LinearModel as the model is independent of x. Further, LinearModel requires prop.x to be a subset of x which covers both the case of a single property or a property group. Need a stronger definition of the interface of tabulated model.

jmborr commented 5 years ago

Good issue. How about a TabulatedCompositeModel ?