Trajectory

class mlptrain.configurations.trajectory.Trajectory(*args: Configuration | str)

Bases: ConfigurationSet

__init__(*args: Configuration | str)

Construct a configuration set from Configurations, or a saved file. This is a set, thus no duplicates configurations are present.

Parameters:
  • args (Configuration, str) – Either strings of existing files (e.g. data.npz) or individual configurations.

  • allow_duplicates (bool) – Should duplicate configurations be supported? For a training configuration set this should be false

property final_frame: Configuration

Return the final frame from this trajectory

property t0: float

Initial time of this trajectory