Data

DataConfig

Bases: BaseModel

aux_compression_threshold = Field(default=1048576)

The threshold in bytes for compressing the auxiliary data in a dataset on an iteration-by-iteration basis.

data_refs = Field(default_factory=DataRefs)

References to various data paths.

datasets = Field(default=None)

List of all datasets to load.

iter_prec = Field(default=8)

The length of the iteration index with zero-padding. For the default value, iteration 1 would be specified as iter_00000001.

load_auxdata = Field(default=False)

Load all datasets without an explicit load specification.

west_data_file = Field(default='west.h5')

The name of the main HDF5 data storage file for the WESTPA simulation.

DataRefs

Bases: BaseModel

basis_state = Field(default='$WEST_SIM_ROOT/bstates/{basis_state.auxref}')

initial_state = Field(default='$WEST_SIM_ROOT/istates/{initial_state.iter_created}/{initial_state.state_id}.xml')

segment = Field(default='$WEST_SIM_ROOT/traj_segs/{segment.n_iter:06d}/{segment.seg_id:06d}')

DatasetsConfig

Bases: BaseModel

chunks = Field(default=None)

compression = Field(default=None)

dtype = Field(default=None)

h5path = Field(default=None)

load = Field(default=False)

name

scaleoffset = Field(default=None)

store = Field(default=True)