Data Objects

This describes some of the objects used to describe data. Note that Trajectories and Snapshots are described in the Engines section.

A less-technical overview is provided in the Data objects section of the user guide; we recommend that you read that first.

Sample([replica, trajectory, ensemble, ...])	A Sample represents a given "draw" from its ensemble, and is the return object from a PathMover.
SampleSet(samples[, movepath])	SampleSet is essentially a list of samples, with a few conveniences.
MoveChange([subchanges, samples, mover, ...])	A class that described the concrete realization of a PathMove.
MCStep([simulation, mccycle, previous, ...])	A monte-carlo step in the main PathSimulation loop
Details(**kwargs)	Details of an object.
SampleDetails(**kwargs)	Details of a sample
MoveDetails(**kwargs)	Details of the move as applied to a given replica