File Read Class

class mdsuite.file_io.file_read.FileProcessor

Class to handle reading from trajectory files. Output is supposed to be used by the experiment class for building and populating trajectory database.

abstract get_configurations_generator() → Iterator[TrajectoryChunkData]

Yield configurations as chunks. Batch size must be determined by the FileProcessor. See mdsuite.database.simulation_database.TrajectoryChunkData for the format in which to provide the trajectory chunk.

Return type:

generator that yields TrajectoryChunkData