piol.fit_matrix module

API reference

Module with functions for producing fitted matrices.

piol.fit_matrix.basestr(baseind, order, inb)

Return base string for base described by a list of indices and order.

piol.fit_matrix.fit_element(refple, outCoords, inCoords, N, fitZerothOrder=True, element=<class 'piol.elements.TMElement'>, elementargs=(), elementkwargs={'name': 'Fitted'})

Return a TMElement of Nth order for tranfering coordinates inCoords into outCoords.

The coordinates are dictionaries with coordinate dict/arrays from trajectory. Only particles with matching ids are used for fitting. The s or id coordinates are not fitted.

If reference particle is not None and K, m and q exist in the input, the afore mentioned coordinates in the input will be replaced with extra coordinates d and g. These coordinates will be assumed to stay constant and should not appear in the output.

If reference particle is None all coordinates in the dictionaries will be used for fitting.

piol.fit_matrix.fit_matrix(outCoords, inCoords, N, fitZerothOrder=True)

Return a TransferMatrix of Nth order for tranfering coordinates inCoords into outCoords.

The coordinates are dictionaries with coordinate arrays from trajectory. Only particles with matching ids are used for fitting. The s or id coordinates are not fitted.