def _initialize_netcdf(self):
"""
Initialize the netCDF file for storage.
"""
# Open NetCDF file for writing
ncfile = netcdf.Dataset(self.fn_storage, "w") # for netCDF4
# Store netcdf file handle.
self.ncfile = ncfile
# Set global attributes.
setattr(ncfile, "title", "Multi-State-Transition-Interface-Sampling")
setattr(ncfile, "application", "Host-Guest-System")
setattr(ncfile, "program", "run.py")
setattr(ncfile, "programVersion", __version__)
setattr(ncfile, "Conventions", "Multi-State Transition Interface TPS")
setattr(ncfile, "ConventionVersion", "0.1")
# initialize arrays used for snapshots
Snapshot._init_netcdf(self)
# initialize arrays used for trajectories
Trajectory._init_netcdf(self)
# Force sync to disk to avoid data loss.
ncfile.sync()
return
