hplattice.Trajectory¶
-
class
hplattice.Trajectory.
Trajectory
(save_trajectory, trajectory_filename, open_stream_fcn=<function open_file_stream>)[source]¶ Trajectory objects write chain coordinates to output streams. They used to record the progress of an enumeration or monte carlo simulation.
Parameters: - save_trajectory (bool) –
True
if trajectory should be saved to output stream. - trajectory_filename (str) – write trajectory to this path
- open_stream_fcn (callable) – optional, call this function to open an output stream
-
snapshot
(chain)[source]¶ Record coordinates of chain to output stream.
Parameters: chain ( hplattice.Chain.Chain
) – Save coords of this chain.
- save_trajectory (bool) –