Core

data.core.Data(*, store_kind, uuid='', description='')

Bases: Generic[T]

Connects the user-facing containers to data in stores. Is generically typed so that it can interface with any store-supported data type (e.g., NumPy arrays and polars DataFrames).

description = description instance-attribute

id = None instance-attribute

parent_chain property

Chain of object references to get from the Project and any other AtomeaContainers to this Data object. This does not include the Data object itself.

An atomea Project is the root container for any and all data for a specific project. We often nest AtomeaContainers to group related information together and provide an intuitive interface. However, the root Project is the only container that keeps track of the Store backends for arrays and tables in its Project._stores attribute. This ensures that there is only one storage interface per project. All other nested containers contain a parent reference in AtomeaContainer._parent.

Thus, Data.parent_chain traverses these AtomeaContainer._parent attributes backwards until it reaches the root Project to get access to Project._stores. However, we store it in order of Project to Data as you would to access this Data object. For example, (Project, Ensemble, Microstates).

store_kind = store_kind instance-attribute

uuid = uuid instance-attribute

value property

__repr__()

__set__(obj, value)

__set_name__(owner, name)

append(data, **kwargs)

bind_to_container(container)

Explicitly bind this Data object to a container.

get_store_info()

Determines information needed to access this data from a store.

RETURNS	DESCRIPTION
Store	Table or Array store from the project owning this data.
str	Path needed to get this data out of the store.

next_microstate_id(ensemble_id, run_id)

Determine the next microstate_id by adding one to the currently largest one for this ensemble_id and run_id.

PARAMETER	DESCRIPTION
path	Path to table.
ensemble_id	ID of the ensemble to query. TYPE: str
run_id	ID of the run to query. TYPE: str

RETURNS	DESCRIPTION
int	The next microstate_id.

prep_dataframe(ensemble_id, run_id, microstate_id_next, data)

read(view=None, **kwargs)

write(data, view=None, **kwargs)