NetCDFWriter

class mdcraft.io.writer.NetCDFWriter(filename: str, mode: str = 'w', *, restart: bool = False, **kwargs)

Bases: BaseTrajectoryWriter

AMBER NetCDF trajectory/restart file writer.

See also

For more information on the AMBER NetCDF file format, see the AMBER NetCDF Trajectory/Restart Convention.

Parameters:

filenamestr or pathlib.Path, positional-only

Filename or path to the NetCDF file.

modestr, optional, default: "w"

NetCDF file access mode.

restartbool, default: False

Specifies whether the NetCDF file is a trajectory (False) or restart file (True).

Methods

close	Closes the topology or trajectory file and deletes the handle.
open	Opens the topology or trajectory file and stores a handle to it.

abstractmethod close() → None

Closes the topology or trajectory file and deletes the handle.

abstractmethod open() → None

Opens the topology or trajectory file and stores a handle to it.