Manager

io.manager.StorageManager

Bases: ABC

_process_nested_dict(nested_dict, store, prefix) classmethod

Recursively create groups and arrays in store from nested_dict.

append_array(data, store, key_array, **kwargs) abstractmethod classmethod

Append data to key_array located within path_file.

PARAMETER	DESCRIPTION
data	Data to append to file. TYPE: NDArray[Any]
store	Opened file to write to. TYPE: Any
key_array	Key to the group starting in storage. TYPE: str

digest_and_store(digester, digest_kwargs, path_file) classmethod

Driver for digesting and writing data to storage.

get_store(path_file) abstractmethod classmethod

Check to see if root file exists; if not, then this will initialize an empty file.

PARAMETER	DESCRIPTION
path_file	Path to file. TYPE: str

initialize_group(store, key_group) abstractmethod classmethod

Check to see if a group at key_group exists in path_file. If not, then it creates a group.

PARAMETER	DESCRIPTION
store	A store used directly from the data backend. TYPE: Any
key_group	Key to the group starting from root at path_file. TYPE: str

process_ensemble(ensemble_data, store, prefix='') classmethod

Add multiple molecules to store from EnsembleSchema.frames.