mdadash.backend.kernel.manager

Manager that manages the jupyter_client’s AsyncKernelManager

Classes

KernelManager(sm, sio)

Kernel Manager

class mdadash.backend.kernel.manager.KernelManager(sm: StateManager, sio: AsyncServer)[source]

Bases: object

Kernel Manager

This class is responsible for managing the AsyncKernelManager (async kernel) that runs all the MDAnalysis code. It takes care of starting the async kernel, stopping it and communicating with it. It interfaces with the CommHandler on the kernel side for messaging.

Parameters:

sm (StateManager) – Instance of the state manager
sio (socketio.AsyncServer) – Instance of the socket.io server

async connect_to_simulations() → dict[source]

Connect to the MD simulation

Returns:

response – Response dict indicating status. This has the following keys:

status: String indication status: ‘ok’ or ‘error’
message: An error message string when status is ‘error’

Return type:

dict

async disconnect_from_simulations() → dict[source]

Disconnect from the MD simulation

Returns:

response – Response dict indicating status. This has the following keys:

status: String indication status: ‘ok’ or ‘error’
message: An error message string when status is ‘error’

Return type:

dict

async execute_code(code: str, timeout: int = 5) → str[source]

Execute code in the kernel

Parameters:

code (str) – Code to execute in the kernel
timeout (int) – Timeout in seconds (default: 5)

Returns:

response – A string representation of the output of the code executed

Return type:

str

async pause_simulations() → dict[source]

Pause MD simulations

Returns:

response – Response dict indicating status. This has the following keys:

status: String indication status: ‘ok’ or ‘error’
message: An error message string when status is ‘error’

Return type:

dict

async resume_simulations() → dict[source]

Resume MD simulations

Returns:

response – Response dict indicating status. This has the following keys:

status: String indication status: ‘ok’ or ‘error’
message: An error message string when status is ‘error’

Return type:

dict

async send_message(msg_type: str, data: dict) → None[source]

Send message to kernel and don’t await a response

Parameters:

msg_type (str) – A message type string that the kernel has a handler registered for
data (dict) – Dict that gets passed to the handler in the kernel

async send_message_await_response(msg_type: str, data: dict = None, timeout: int = 5) → dict | None[source]

Send message to kernel and wait for a response (async)

Parameters:

msg_type (str) – A message type string that the kernel has a handler registered for
data (dict) – Dict that gets passed to the handler in the kernel (default: None)
timeout (int) – Timeout in seconds (default: 5)

Returns:

response – Response dict indicating status. This has the following keys:

status: String indication status: ‘ok’ or ‘error’
message: An error message string when status is ‘error’

Return type:

dict

async start() → None[source]: Start the async kernel

async stop() → None[source]: Stop the async kernel