base

class pyrosetta.distributed.cluster.base.TaskBase

Bases: object

Task objects underpinning PyRosettaCluster.

_get_seed(protocols: Sized) → Optional[str]

Get the PyRosetta RNG seed for the input user-defined PyRosetta protocol.

_get_task_state(protocols: List[Callable[[...], Union[Pose, PackedPose, Dict[str, Any], None, List[Optional[Union[Pose, PackedPose, Dict[str, Any]]]], Tuple[Optional[Union[Pose, PackedPose, Dict[str, Any]]], ...], Generator[Optional[Union[Pose, PackedPose, Dict[str, Any]]], None, None]]]]) → Tuple[List[Callable[[...], Union[Pose, PackedPose, Dict[str, Any], None, List[Optional[Union[Pose, PackedPose, Dict[str, Any]]]], Tuple[Optional[Union[Pose, PackedPose, Dict[str, Any]]], ...], Generator[Optional[Union[Pose, PackedPose, Dict[str, Any]]], None, None]]]], Callable[[...], Union[Pose, PackedPose, Dict[str, Any], None, List[Optional[Union[Pose, PackedPose, Dict[str, Any]]]], Tuple[Optional[Union[Pose, PackedPose, Dict[str, Any]]], ...], Generator[Optional[Union[Pose, PackedPose, Dict[str, Any]]], None, None]]], Optional[str]]

Given the current state of the PyRosetta protocols, return a tuple object of the updated state of the PyRosetta protocols, the current PyRosetta protocol, and curent PyRosetta RNG seed.

_setup_initial_kwargs(protocols: List[Callable[[...], Union[Pose, PackedPose, Dict[str, Any], None, List[Optional[Union[Pose, PackedPose, Dict[str, Any]]]], Tuple[Optional[Union[Pose, PackedPose, Dict[str, Any]]], ...], Generator[Optional[Union[Pose, PackedPose, Dict[str, Any]]], None, None]]]], seed: Optional[str], task: Dict[str, Any]) → Tuple[bytes, Dict[str, Any]]

Setup the keyword arguments for the initial user-defined task dictionary.

_setup_pyrosetta_init_kwargs(kwargs: Dict[str, Any]) → Dict[str, Any]

Setup the pyrosetta.init function keyword arguments.

_get_clients_index(clients_indices: Optional[Union[List[int], Tuple[int, ...]]], protocols: Sized) → int

Return the clients index for the current PyRosetta protocol.

_get_resource(resources: Optional[Union[List[Optional[Dict[str, Union[float, int]]]], Tuple[Optional[Dict[str, Union[float, int]]], ...]]], protocols: Sized) → Optional[Dict[str, Union[float, int]]]

Return the resource for the current PyRosetta protocol.

_get_priority(priorities: Optional[Union[List[int], Tuple[int, ...]]], protocols: Sized) → Optional[int]

Return the priority for the current PyRosetta protocol.

_get_retry(retries: Optional[Union[int, List[int], Tuple[int, ...]]], protocols: Sized) → Optional[int]

Return the number of task retries for the current PyRosetta protocol.

_parse_resources(resources: Any) → Any

Parse the resources keyword argument value of the PyRosettaCluster.distribute method.

_parse_priorities(priorities: Any) → Any

Parse the priorities keyword argument value of the PyRosettaCluster.distribute method.

_parse_retries(retries: Any) → Any

Parse the retries keyword argument value of the PyRosettaCluster.distribute method.

_setup_kwargs(kwargs: Dict[str, Any], clients_indices: Optional[Union[List[int], Tuple[int, ...]]], resources: Optional[Union[List[Optional[Dict[str, Union[float, int]]]], Tuple[Optional[Dict[str, Union[float, int]]], ...]]], priorities: Optional[Union[List[int], Tuple[int, ...]]], retries: Optional[Union[int, List[int], Tuple[int, ...]]]) → Tuple[bytes, Dict[str, Any], Callable[[...], Union[Pose, PackedPose, Dict[str, Any], None, List[Optional[Union[Pose, PackedPose, Dict[str, Any]]]], Tuple[Optional[Union[Pose, PackedPose, Dict[str, Any]]], ...], Generator[Optional[Union[Pose, PackedPose, Dict[str, Any]]], None, None]]], int, Optional[Dict[str, Union[float, int]]], Optional[int], Optional[int]]

Setup the keyword arguments for the subsequent user-defined task dictionary.

_setup_seed(kwargs: Dict[str, Any], seed: Optional[str]) → Dict[str, Any]

Update the value of the “options” or “extra_options” key of the user-defined task dictionary with the -run:jran Rosetta command-line option.

_setup_protocols_protocol_seed(args: Tuple[Any, ...], protocols: Any, clients_indices: Any, resources: Any, priorities: Any, retries: Any) → Tuple[List[Callable[[...], Union[Pose, PackedPose, Dict[str, Any], None, List[Optional[Union[Pose, PackedPose, Dict[str, Any]]]], Tuple[Optional[Union[Pose, PackedPose, Dict[str, Any]]], ...], Generator[Optional[Union[Pose, PackedPose, Dict[str, Any]]], None, None]]]], Callable[[...], Union[Pose, PackedPose, Dict[str, Any], None, List[Optional[Union[Pose, PackedPose, Dict[str, Any]]]], Tuple[Optional[Union[Pose, PackedPose, Dict[str, Any]]], ...], Generator[Optional[Union[Pose, PackedPose, Dict[str, Any]]], None, None]]], Optional[str], int, Optional[Dict[str, Union[float, int]]], Optional[int], Optional[int]]

Parse, validate, and setup the user-defined PyRosetta protocol(s).

pyrosetta.distributed.cluster.base.capture_task_metadata(func: CallableType) → CallableType

Capture metadata into the user-defined task dictionary.