Top level API (thermoextrap)

Top level API (thermoextrap)#

Classes/routines to deal with thermodynamic extrapolation.

Data Models#

These classes/routines are made available at the top level by importing from thermoextrap.data

DataCentralMoments(dxduave, *, meta[, ...])

Data class using cmomy.xCentralMoments to handle central moments.

DataCentralMomentsVals(uv, xv, *, meta[, ...])

Data object based on central co-moments array.

DataValues(uv, xv, order, *, meta[, ...])

Class to hold uv/xv data.

DataValuesCentral(uv, xv, order, *, meta[, ...])

Data class using values and central moments.

factory_data_values(order, uv, xv[, ...])

Factory function to produce a DataValues object.

resample_indices(size, nrep[, rec_dim, ...])

Get indexing DataArray.

General extrapolation and interpolation models#

These classes/routines are made available at the top level by importing from thermoextrap.models

ExtrapModel(alpha0, data, derivatives[, ...])

Apply taylor series extrapolation.

ExtrapWeightedModel(states, *[, kws])

Weighted extrapolation model.

InterpModel(states, *[, kws])

Interpolation model.

InterpModelPiecewise(states, *[, kws])

Apposed to the multiple model InterpModel, perform a piecewise interpolation.

MBARModel(states, *[, kws])

Sadly, this doesn't work as beautifully.

PerturbModel(alpha0, data[, alpha_name])

Perturbation model.

StateCollection(states, *[, kws])

Sequence of models.

Derivatives(funcs, *[, exprs, args])

Class to wrap functions calculating derivatives to specified order.