Inheritance diagram for pyrosetta.distributed.cluster.core.PyRosettaCluster:

[legend]

Public Member Functions
def	__attrs_post_init__ (self)

Union[NoReturn, Generator[Tuple[PackedPose, Dict[Any, Any]], None, None]]	generate (self, *Any args, Any protocols=None, Any clients_indices=None, Any resources=None)

Optional[NoReturn]	distribute (self, *Any args, Any protocols=None, Any clients_indices=None, Any resources=None)

Public Member Functions inherited from pyrosetta.distributed.cluster.logging_support.LoggingSupport
None	__init__ (self)

Public Attributes
	serializer

	clients_dict

Public Attributes inherited from pyrosetta.distributed.cluster.logging_support.LoggingSupport
	socket_listener

Public Attributes inherited from pyrosetta.distributed.cluster.utilities.SchedulerManager
	scheduler

Static Public Attributes
	tasks

	nstruct

	tasks_size

	input_packed_pose

	seeds

	decoy_ids

	client

	clients

	scheduler

	cores

	processes

	memory

	scratch_dir

	adapt_threshold

	min_workers

	max_workers

	dashboard_address

	project_name

	simulation_name

	output_path

	scorefile_name

	scorefile_path

	simulation_records_in_scorefile

	decoy_dir_name

	decoy_path

	logs_dir_name

	logs_path

	logging_level

	logging_file

	logging_address

	compressed

	compression

	sha1

	ignore_errors

	timeout

	max_delay_time

	filter_results

	save_all

	dry_run

	yield_results

	cooldown_time

	protocols_key

	system_info

	pyrosetta_build

	environment

	environment_file

	pyrosetta_init_args

Static Public Attributes inherited from pyrosetta.distributed.cluster.io.IO
	str

Private Member Functions
Future	_create_future (self, Client client, str protocol_name, bytes compressed_protocol, bytes compressed_packed_pose, bytes compressed_kwargs, Dict[str, Any] pyrosetta_init_kwargs, Dict[str, Any] extra_args, bytes passkey, Optional[Dict[Any, Any]] resource)

Union[NoReturn, Generator[Tuple[PackedPose, Dict[Any, Any]], None, None]]	_run (self, *Any args, Any protocols=None, Any clients_indices=None, Any resources=None)

Static Private Attributes
	__doc__

Member Function Documentation

◆ __attrs_post_init__()

def pyrosetta.distributed.cluster.core.PyRosettaCluster.__attrs_post_init__ ( self )

References pyrosetta.distributed.cluster.initialization._maybe_init_client(), pyrosetta.distributed.cluster.logging_support.LoggingSupport._setup_logger(), pyrosetta.distributed.cluster.io.IO._write_environment_file(), and pyrosetta.distributed.cluster.core.PyRosettaCluster.environment_file.

◆ _create_future()

Future pyrosetta.distributed.cluster.core.PyRosettaCluster._create_future	(		self,
		Client	client,
		str	protocol_name,
		bytes	compressed_protocol,
		bytes	compressed_packed_pose,
		bytes	compressed_kwargs,
		Dict[str, Any]	pyrosetta_init_kwargs,
		Dict[str, Any]	extra_args,
		bytes	passkey,
		Optional[Dict[Any, Any]]	resource
	)

private

Scatter data and return submitted 'user_spawn_thread' future.

References pyrosetta.distributed.cluster.hkdf.derive_task_key().

Referenced by pyrosetta.distributed.cluster.core.PyRosettaCluster._run().

◆ _run()

Union[NoReturn, Generator[Tuple[PackedPose, Dict[Any, Any]], None, None]] pyrosetta.distributed.cluster.core.PyRosettaCluster._run	(		self,
		*Any	args,
		Any	protocols = `None`,
		Any	clients_indices = `None`,
		Any	resources = `None`
	)

private

Run user-provided PyRosetta protocols on a local or remote compute cluster using
the user-customized PyRosettaCluster instance. Either arguments or the 'protocols'
keyword argument is required. If both are provided, then the 'protocols' keyword
argument gets concatenated after the input arguments.

Examples:
    PyRosettaCluster().distribute(protocol_1)
    PyRosettaCluster().distribute(protocols=protocol_1)
    PyRosettaCluster().distribute(protocol_1, protocol_2, protocol_3)
    PyRosettaCluster().distribute(protocols=(protocol_1, protocol_2, protocol_3))
    PyRosettaCluster().distribute(protocol_1, protocol_2, protocols=[protocol_3, protocol_4])

    # Run `protocol_1` on `client_1`,
    # then `protocol_2` on `client_2`, 
    # then `protocol_3` on `client_1`,
    # then `protocol_4` on `client_2`:
    PyRosettaCluster(clients=[client_1, client_2]).distribute(
        protocols=[protocol_1, protocol_2, protocol_3, protocol_4],
        clients_indices=[0, 1, 0, 1],
    )

    # Run `protocol_1` on `client_2`,
    # then `protocol_2` on `client_3`,
    # then `protocol_3` on `client_1`:
    PyRosettaCluster(clients=[client_1, client_2, client_3]).distribute(
        protocols=[protocol_1, protocol_2, protocol_3],
        clients_indices=[1, 2, 0],
    )

    # Run `protocol_1` on `client_1` with dask worker resource constraints "GPU=2",
    # then `protocol_2` on `client_1` with dask worker resource constraints "MEMORY=100e9",
    # then `protocol_3` on `client_1` without dask worker resource constraints:
    PyRosettaCluster(client=client_1).distribute(
        protocols=[protocol_1, protocol_2, protocol_3],
        resources=[{"GPU": 2}, {"MEMORY": 100e9}, None],
    )

    # Run `protocol_1` on `client_1` with dask worker resource constraints "GPU=2",
    # then `protocol_2` on `client_2` with dask worker resource constraints "MEMORY=100e9":
    PyRosettaCluster(clients=[client_1, client_2]).distribute(
        protocols=[protocol_1, protocol_2],
        clients_indices=[0, 1],
        resources=[{"GPU": 2}, {"MEMORY": 100e9}],
    )
    
Args:
    *args: Optional instances of type `types.GeneratorType` or `types.FunctionType`,
        in the order of protocols to be executed.
    protocols: An optional iterable of extra callable PyRosetta protocols,
        i.e. an iterable of objects of `types.GeneratorType` and/or
        `types.FunctionType` types; or a single instance of type
        `types.GeneratorType` or `types.FunctionType`.
        Default: None
    clients_indices: An optional `list` or `tuple` object of `int` objects, where each `int` object represents
        a zero-based index corresponding to the initialized dask `distributed.client.Client` object(s) passed 
        to the `PyRosettaCluster(clients=...)` class attribute. If not `None`, then the length of the 
        `clients_indices` object must equal the number of protocols passed to the `PyRosettaCluster().distribute`
        method.
        Default: None
    resources: An optional `list` or `tuple` object of `dict` objects, where each `dict` object represents
        an abstract, arbitrary resource to constrain which dask workers run the user-defined PyRosetta protocols.
        If `None`, then do not impose resource constaints on any protocols. If not `None`, then the length
        of the `resources` object must equal the number of protocols passed to the `PyRosettaCluster().distribute`
        method, such that each resource specified indicates the unique resource constraints for the protocol at the
        corresponding index of the protocols passed to `PyRosettaCluster().distribute`. Note that this feature is only 
        useful when one passes in their own instantiated client(s) with dask workers set up with various resource
        constraints. If dask workers were not instantiated to satisfy the specified resource constraints, protocols
        will hang indefinitely because the dask scheduler is waiting for workers that meet the specified resource 
        constraints so that it can schedule these protocols. Unless workers were created with these resource tags
        applied, the protocols will not run. See https://distributed.dask.org/en/stable/resources.html for more
        information.
        Default: None

Referenced by pyrosetta.distributed.cluster.core.PyRosettaCluster.distribute(), and pyrosetta.distributed.cluster.core.PyRosettaCluster.generate().

◆ distribute()

Optional[NoReturn] pyrosetta.distributed.cluster.core.PyRosettaCluster.distribute	(		self,
		*Any	args,
		Any	protocols = `None`,
		Any	clients_indices = `None`,
		Any	resources = `None`
	)

References pyrosetta.distributed.cluster.core.PyRosettaCluster._run(), and pyrosetta.distributed.cluster.core.PyRosettaCluster.yield_results.

◆ generate()

Union[NoReturn, Generator[Tuple[PackedPose, Dict[Any, Any]], None, None]] pyrosetta.distributed.cluster.core.PyRosettaCluster.generate	(		self,
		*Any	args,
		Any	protocols = `None`,
		Any	clients_indices = `None`,
		Any	resources = `None`
	)

References pyrosetta.distributed.cluster.core.PyRosettaCluster._run(), pyrosetta.distributed.cluster.core.PyRosettaCluster.sha1, and pyrosetta.distributed.cluster.core.PyRosettaCluster.yield_results.

Member Data Documentation

◆ doc

pyrosetta.distributed.cluster.core.PyRosettaCluster.__doc__

staticprivate

Referenced by test.Workshop9_my_shapes.MyShape.__str__().

◆ adapt_threshold

pyrosetta.distributed.cluster.core.PyRosettaCluster.adapt_threshold

static

Initial value:

=  attr.ib(
        type=int,
        default=1000,
        init=False,
        validator=[_validate_int, attr.validators.instance_of(int)],
    )

Referenced by pyrosetta.distributed.cluster.utilities.SchedulerManager._maybe_adapt().

◆ client

pyrosetta.distributed.cluster.core.PyRosettaCluster.client

static

Initial value:

=  attr.ib(
        type=Optional[distributed.client.Client],
        default=None,
        validator=attr.validators.optional(
            attr.validators.instance_of(distributed.client.Client)
        ),
    )

Referenced by pyrosetta.distributed.cluster.utilities.SchedulerManager._setup_clients_dict(), pyrosetta.tests.distributed.test_dask.TestDaskDistribution.tearDown(), pyrosetta.tests.distributed.test_dask.TestDaskDistribution.test_basic(), and pyrosetta.tests.distributed.test_dask.TestDaskDistribution.test_rosetta_scripts().

◆ clients

pyrosetta.distributed.cluster.core.PyRosettaCluster.clients

static

Initial value:

=  attr.ib(
        type=Optional[List[distributed.client.Client]],
        default=None,
        validator=[
            attr.validators.optional(
                attr.validators.deep_iterable(
                    member_validator=attr.validators.instance_of(distributed.client.Client),
                    iterable_validator=attr.validators.instance_of((tuple, list)),
                ),
            ),
            _validate_min_len,
        ],
    )

Referenced by pyrosetta.distributed.cluster.utilities.SchedulerManager._setup_clients_dict(), pyrosetta.tests.distributed.cluster.test_smoke.TestBase.tearDownClass(), pyrosetta.tests.distributed.cluster.test_smoke.GeneratorTest.test_generate_multi_user_clients(), pyrosetta.tests.distributed.cluster.test_smoke.GeneratorTest.test_generate_partition_clients(), pyrosetta.tests.distributed.cluster.test_smoke.RuntimeTest.test_timing_multi_instance(), and pyrosetta.tests.distributed.cluster.test_smoke.RuntimeTest.test_timing_single_instance().

◆ clients_dict

pyrosetta.distributed.cluster.core.PyRosettaCluster.clients_dict

Referenced by pyrosetta.distributed.cluster.utilities.SchedulerManager._maybe_adapt(), pyrosetta.distributed.cluster.utilities.SchedulerManager._maybe_teardown(), pyrosetta.distributed.cluster.utilities.SchedulerManager._setup_clients_cluster_adaptive(), and pyrosetta.distributed.cluster.base.TaskBase._setup_protocols_protocol_seed().

◆ compressed

pyrosetta.distributed.cluster.core.PyRosettaCluster.compressed

static

Initial value:

=  attr.ib(
        type=bool,
        default=True,
        validator=attr.validators.instance_of(bool),
        converter=attr.converters.default_if_none(default=True),
    )

Referenced by pyrosetta.distributed.cluster.io.IO._save_results().

◆ compression

pyrosetta.distributed.cluster.core.PyRosettaCluster.compression

static

Initial value:

=  attr.ib(
        type=Optional[Union[str, bool]],
        default=True,
        validator=attr.validators.optional(attr.validators.instance_of((bool, str))),
    )

Referenced by pyrosetta.distributed.cluster.serialization.Serialization.__attrs_post_init__(), and pyrosetta.distributed.cluster.core.PyRosettaCluster._run().

◆ cooldown_time

pyrosetta.distributed.cluster.core.PyRosettaCluster.cooldown_time

static

Initial value:

=  attr.ib(
        type=float,
        default=0.5,
        validator=[_validate_float, attr.validators.instance_of((float, int))],
        converter=attr.converters.default_if_none(default=0.5),
    )

Referenced by pyrosetta.distributed.cluster.logging_support.LoggingSupport._cooldown().

◆ cores

pyrosetta.distributed.cluster.core.PyRosettaCluster.cores

static

Initial value:

=  attr.ib(
        type=int,
        default=1,
        validator=[_validate_int, attr.validators.instance_of(int)],
        converter=attr.converters.default_if_none(default=1),
    )

◆ dashboard_address

pyrosetta.distributed.cluster.core.PyRosettaCluster.dashboard_address

static

Initial value:

=  attr.ib(
        type=str,
        default=":8787",
        validator=attr.validators.instance_of(str),
        converter=attr.converters.default_if_none(default=":8787"),
    )

Referenced by pyrosetta.distributed.cluster.utilities.SchedulerManager._get_cluster().

◆ decoy_dir_name

pyrosetta.distributed.cluster.core.PyRosettaCluster.decoy_dir_name

static

Initial value:

=  attr.ib(
        type=str,
        default="decoys",
        validator=attr.validators.instance_of(str),
        converter=attr.converters.default_if_none(default="decoys"),
    )

Referenced by pyrosetta.tests.distributed.cluster.test_smoke.ScoresTest.get_scores_dict().

◆ decoy_ids

pyrosetta.distributed.cluster.core.PyRosettaCluster.decoy_ids

static

Initial value:

=  attr.ib(
        type=list,
        default=None,
        validator=attr.validators.optional(attr.validators.instance_of(list)),
        converter=attr.converters.optional(_parse_decoy_ids),
    )

Referenced by pyrosetta.distributed.cluster.core.PyRosettaCluster._run(), and pyrosetta.distributed.cluster.base.TaskBase._setup_protocols_protocol_seed().

◆ decoy_path

pyrosetta.distributed.cluster.core.PyRosettaCluster.decoy_path

static

Initial value:

=  attr.ib(
        type=str,
        default=attr.Factory(
            lambda self: os.path.abspath(
                os.path.join(self.output_path, self.decoy_dir_name)
            ),
            takes_self=True,
        ),
        init=False,
        validator=attr.validators.instance_of(str),
    )

Referenced by pyrosetta.distributed.cluster.io.IO._save_results().

◆ dry_run

pyrosetta.distributed.cluster.core.PyRosettaCluster.dry_run

static

Initial value:

=  attr.ib(
        type=bool,
        default=False,
        validator=attr.validators.instance_of(bool),
        converter=attr.converters.default_if_none(False),
    )

Referenced by pyrosetta.distributed.cluster.io.IO._save_results(), and pyrosetta.distributed.cluster.io.IO._write_environment_file().

◆ environment

pyrosetta.distributed.cluster.core.PyRosettaCluster.environment

static

Initial value:

=  attr.ib(
        type=str,
        default=None,
        validator=attr.validators.instance_of(str),
        converter=_parse_environment,
    )

Referenced by pyrosetta.distributed.cluster.io.IO._write_environment_file().

◆ environment_file

pyrosetta.distributed.cluster.core.PyRosettaCluster.environment_file

static

Initial value:

=  attr.ib(
        type=str,
        default=attr.Factory(
            lambda self: os.path.join(
                self.output_path,
                "_".join(
                    [
                        self.project_name.replace(" ", "-"),
                        self.simulation_name.replace(" ", "-"),
                        "environment.yml",
                    ]
                ),
            ),
            takes_self=True,
        ),
        init=False,
        validator=attr.validators.instance_of(str),
    )

Referenced by pyrosetta.distributed.cluster.core.PyRosettaCluster.__attrs_post_init__(), and pyrosetta.distributed.cluster.io.IO._save_results().

◆ filter_results

pyrosetta.distributed.cluster.core.PyRosettaCluster.filter_results

static

Initial value:

=  attr.ib(
        type=bool,
        default=None,
        validator=attr.validators.instance_of(bool),
        converter=_parse_filter_results,
    )

Referenced by pyrosetta.distributed.cluster.core.PyRosettaCluster._run().

◆ ignore_errors

pyrosetta.distributed.cluster.core.PyRosettaCluster.ignore_errors

static

Initial value:

=  attr.ib(
        type=bool,
        default=False,
        validator=attr.validators.instance_of(bool),
        converter=attr.converters.default_if_none(default=False),
    )

Referenced by pyrosetta.distributed.cluster.core.PyRosettaCluster._run().

◆ input_packed_pose

pyrosetta.distributed.cluster.core.PyRosettaCluster.input_packed_pose

static

Initial value:

=  attr.ib(
        type=PackedPose,
        default=None,
        validator=attr.validators.optional(attr.validators.instance_of(PackedPose)),
        converter=_parse_input_packed_pose,
    )

◆ logging_address

pyrosetta.distributed.cluster.core.PyRosettaCluster.logging_address

static

Initial value:

=  attr.ib(
        type=str,
        default=attr.Factory(_parse_logging_address, takes_self=True),
        validator=[_validate_logging_address, attr.validators.instance_of(str)],
    )

◆ logging_file

pyrosetta.distributed.cluster.core.PyRosettaCluster.logging_file

static

Initial value:

=  attr.ib(
        type=str,
        default=attr.Factory(
            lambda self: os.path.join(
                self.logs_path,
                "_".join(
                    [
                        self.project_name.replace(" ", "-"),
                        self.simulation_name.replace(" ", "-") + ".log",
                    ]
                ),
            ),
            takes_self=True,
        ),
        init=False,
        validator=attr.validators.instance_of(str),
    )

Referenced by pyrosetta.distributed.cluster.base.TaskBase._setup_initial_kwargs(), and pyrosetta.distributed.cluster.logging_support.LoggingSupport._setup_socket_listener().

◆ logging_level

pyrosetta.distributed.cluster.core.PyRosettaCluster.logging_level

static

Initial value:

=  attr.ib(
        type=str,
        default="INFO",
        validator=[
            attr.validators.in_(
                ["NOTSET", "DEBUG", "INFO", "WARNING", "ERROR", "CRITICAL"]
            ),
            attr.validators.instance_of(str),
        ],
        converter=attr.converters.default_if_none(default="NOTSET"),
    )

Referenced by pyrosetta.distributed.cluster.worker_plugins.SocketLoggerPlugin.__init__(), pyrosetta.distributed.cluster.logging_handlers.MultiSocketHandler.__init__(), pyrosetta.distributed.cluster.logging_support.LoggingSupport._register_socket_logger_plugin(), pyrosetta.distributed.cluster.core.PyRosettaCluster._run(), pyrosetta.distributed.cluster.logging_support.LoggingSupport._setup_logger(), pyrosetta.distributed.cluster.worker_plugins.SocketLoggerPlugin.setup(), and pyrosetta.distributed.cluster.logging_handlers.MultiSocketHandler.setup_handler().

◆ logs_dir_name

pyrosetta.distributed.cluster.core.PyRosettaCluster.logs_dir_name

static

Initial value:

=  attr.ib(
        type=str,
        default="logs",
        validator=attr.validators.instance_of(str),
        converter=attr.converters.default_if_none(default="logs"),
    )

◆ logs_path

pyrosetta.distributed.cluster.core.PyRosettaCluster.logs_path

static

Initial value:

=  attr.ib(
        type=str,
        default=attr.Factory(
            lambda self: os.path.abspath(
                os.path.join(self.output_path, self.logs_dir_name)
            ),
            takes_self=True,
        ),
        init=False,
        validator=attr.validators.instance_of(str),
    )

Referenced by pyrosetta.distributed.cluster.logging_support.LoggingSupport._setup_logger().

◆ max_delay_time

pyrosetta.distributed.cluster.core.PyRosettaCluster.max_delay_time

static

Initial value:

=  attr.ib(
        type=float,
        default=3.0,
        validator=[_validate_float, attr.validators.instance_of((float, int))],
        converter=attr.converters.default_if_none(default=3.0),
    )

Referenced by pyrosetta.distributed.cluster.core.PyRosettaCluster._run().

◆ max_workers

pyrosetta.distributed.cluster.core.PyRosettaCluster.max_workers

static

Initial value:

=  attr.ib(
        type=int,
        default=attr.Factory(
            lambda self: self.adapt_threshold if (self.tasks_size < self.adapt_threshold) else self.tasks_size,
            takes_self=True,
        ),
        validator=[_validate_int, attr.validators.instance_of(int)],
        converter=attr.converters.default_if_none(default=1000),
    )

Referenced by pyrosetta.distributed.cluster.utilities.SchedulerManager._get_cluster(), pyrosetta.distributed.cluster.utilities.SchedulerManager._maybe_adapt(), and pyrosetta.distributed.cluster.utilities.SchedulerManager._setup_clients_cluster_adaptive().

◆ memory

pyrosetta.distributed.cluster.core.PyRosettaCluster.memory

static

Initial value:

=  attr.ib(
        type=str,
        default="4g",
        validator=attr.validators.optional(attr.validators.instance_of(str)),
        converter=attr.converters.default_if_none(default="4g"),
    )

◆ min_workers

pyrosetta.distributed.cluster.core.PyRosettaCluster.min_workers

static

Initial value:

=  attr.ib(
        type=int,
        default=1,
        validator=[_validate_int, attr.validators.instance_of(int)],
        converter=attr.converters.default_if_none(default=1),
    )

Referenced by pyrosetta.distributed.cluster.utilities.SchedulerManager._setup_clients_cluster_adaptive().

◆ nstruct

pyrosetta.distributed.cluster.core.PyRosettaCluster.nstruct

static

Initial value:

=  attr.ib(
        type=int,
        default=1,
        validator=[_validate_int, attr.validators.instance_of(int)],
        converter=attr.converters.default_if_none(default=1),
    )

Referenced by pyrosetta.distributed.cluster.core.PyRosettaCluster._run(), and pyrosetta.toolbox.py_jobdistributor.PyJobDistributor.output_decoy().

◆ output_path

pyrosetta.distributed.cluster.core.PyRosettaCluster.output_path

static

Initial value:

=  attr.ib(
        type=str,
        default=os.path.abspath(os.path.join(os.getcwd(), "outputs")),
        validator=[_validate_dirs, attr.validators.instance_of(str)],
        converter=attr.converters.default_if_none(
            default=os.path.abspath(os.path.join(os.getcwd(), "outputs"))
        ),
    )

Referenced by pyrosetta.distributed.cluster.base.TaskBase._setup_initial_kwargs().

◆ processes

pyrosetta.distributed.cluster.core.PyRosettaCluster.processes

static

Initial value:

=  attr.ib(
        type=int,
        default=1,
        validator=[_validate_int, attr.validators.instance_of(int)],
        converter=attr.converters.default_if_none(default=1),
    )

◆ project_name

pyrosetta.distributed.cluster.core.PyRosettaCluster.project_name

static

Initial value:

=  attr.ib(
        type=str,
        default=datetime.now().strftime("%Y.%m.%d.%H.%M.%S.%f"),
        validator=attr.validators.optional(attr.validators.instance_of(str)),
        converter=attr.converters.default_if_none(default="PyRosettaCluster"),
    )

◆ protocols_key

pyrosetta.distributed.cluster.core.PyRosettaCluster.protocols_key

static

Initial value:

=  attr.ib(
        type=str,
        default="PyRosettaCluster_protocols_container",
        init=False,
        validator=attr.validators.instance_of(str),
    )

Referenced by pyrosetta.distributed.cluster.io.IO._process_kwargs(), pyrosetta.distributed.cluster.core.PyRosettaCluster._run(), pyrosetta.distributed.cluster.base.TaskBase._setup_initial_kwargs(), and pyrosetta.distributed.cluster.base.TaskBase._setup_kwargs().

◆ pyrosetta_build

pyrosetta.distributed.cluster.core.PyRosettaCluster.pyrosetta_build

static

Initial value:

=  attr.ib(
        type=str,
        default=None,
        validator=attr.validators.instance_of(str),
        converter=_parse_pyrosetta_build,
    )

◆ pyrosetta_init_args

pyrosetta.distributed.cluster.core.PyRosettaCluster.pyrosetta_init_args

static

Initial value:

=  attr.ib(
        type=list,
        default=attr.Factory(_get_pyrosetta_init_args),
        init=False,
        validator=attr.validators.deep_iterable(
            member_validator=attr.validators.instance_of(str),
            iterable_validator=attr.validators.instance_of(list),
        ),
    )

Referenced by pyrosetta.distributed.cluster.base.TaskBase._setup_pyrosetta_init_kwargs().

◆ save_all

pyrosetta.distributed.cluster.core.PyRosettaCluster.save_all

static

Initial value:

=  attr.ib(
        type=bool,
        default=False,
        validator=attr.validators.instance_of(bool),
        converter=attr.converters.default_if_none(default=False),
    )

Referenced by pyrosetta.distributed.cluster.core.PyRosettaCluster._run().

◆ scheduler

pyrosetta.distributed.cluster.core.PyRosettaCluster.scheduler

static

Initial value:

=  attr.ib(
        type=str,
        default=None,
        validator=attr.validators.optional(
            [attr.validators.in_(["sge", "slurm"]), attr.validators.instance_of(str),],
        ),
    )

Referenced by pyrosetta.distributed.cluster.utilities.SchedulerManager._get_cluster(), pyrosetta.distributed.cluster.utilities.SchedulerManager._maybe_adapt(), and pyrosetta.distributed.cluster.utilities.SchedulerManager._setup_clients_cluster_adaptive().

◆ scorefile_name

pyrosetta.distributed.cluster.core.PyRosettaCluster.scorefile_name

static

Initial value:

=  attr.ib(
        type=str,
        default="scores.json",
        validator=attr.validators.instance_of(str),
        converter=attr.converters.default_if_none(default="scores.json"),
    )

◆ scorefile_path

pyrosetta.distributed.cluster.core.PyRosettaCluster.scorefile_path

static

Initial value:

=  attr.ib(
        type=str,
        default=attr.Factory(
            lambda self: os.path.abspath(
                os.path.join(self.output_path, self.scorefile_name)
            ),
            takes_self=True,
        ),
        init=False,
        validator=attr.validators.instance_of(str),
    )

Referenced by pyrosetta.distributed.cluster.io.IO._save_results().

◆ scratch_dir

pyrosetta.distributed.cluster.core.PyRosettaCluster.scratch_dir

static

Initial value:

=  attr.ib(
        type=str,
        default=None,
        validator=[_validate_dir, attr.validators.instance_of(str)],
        converter=_parse_scratch_dir,
    )

Referenced by pyrosetta.distributed.cluster.utilities.SchedulerManager._get_cluster().

◆ seeds

pyrosetta.distributed.cluster.core.PyRosettaCluster.seeds

static

Initial value:

=  attr.ib(
        type=list,
        default=None,
        validator=attr.validators.optional(attr.validators.instance_of(list)),
        converter=attr.converters.optional(_parse_seeds),
    )

Referenced by pyrosetta.distributed.cluster.base.TaskBase._get_seed(), and pyrosetta.distributed.cluster.base.TaskBase._setup_protocols_protocol_seed().

◆ serializer

pyrosetta.distributed.cluster.core.PyRosettaCluster.serializer

Referenced by pyrosetta.distributed.cluster.io.IO._get_instance_and_metadata(), pyrosetta.distributed.cluster.io.IO._parse_results(), pyrosetta.distributed.cluster.core.PyRosettaCluster._run(), pyrosetta.distributed.cluster.base.TaskBase._setup_initial_kwargs(), and pyrosetta.distributed.cluster.base.TaskBase._setup_kwargs().

◆ sha1

pyrosetta.distributed.cluster.core.PyRosettaCluster.sha1

static

Initial value:

=  attr.ib(
        type=str,
        default="",
        validator=attr.validators.instance_of(str),
        converter=_parse_sha1,
    )

Referenced by pyrosetta.distributed.cluster.core.PyRosettaCluster.generate().

◆ simulation_name

pyrosetta.distributed.cluster.core.PyRosettaCluster.simulation_name

static

Initial value:

=  attr.ib(
        type=str,
        default=attr.Factory(lambda self: self.project_name, takes_self=True),
        validator=attr.validators.instance_of(str),
        converter=attr.converters.default_if_none(default="PyRosettaCluster"),
    )

Referenced by pyrosetta.distributed.cluster.io.IO._save_results().

◆ simulation_records_in_scorefile

pyrosetta.distributed.cluster.core.PyRosettaCluster.simulation_records_in_scorefile

static

Initial value:

=  attr.ib(
        type=bool,
        default=False,
        validator=attr.validators.instance_of(bool),
        converter=attr.converters.default_if_none(default=False),
    )

Referenced by pyrosetta.distributed.cluster.io.IO._save_results(), and pyrosetta.distributed.cluster.io.IO._write_environment_file().

◆ system_info

pyrosetta.distributed.cluster.core.PyRosettaCluster.system_info

static

Initial value:

=  attr.ib(
        type=dict,
        default=None,
        validator=attr.validators.instance_of(dict),
        converter=_parse_system_info,
    )

◆ tasks

pyrosetta.distributed.cluster.core.PyRosettaCluster.tasks

static

Initial value:

=  attr.ib(
        type=list,
        default=[{}],
        validator=attr.validators.deep_iterable(
            member_validator=attr.validators.instance_of(dict),
            iterable_validator=attr.validators.instance_of(list),
        ),
        converter=_parse_tasks,
    )

Referenced by pyrosetta.distributed.cluster.core.PyRosettaCluster._run().

◆ tasks_size

pyrosetta.distributed.cluster.core.PyRosettaCluster.tasks_size

static

Initial value:

=  attr.ib(
        type=int,
        default=attr.Factory(
            lambda self: toolz.itertoolz.count(self.tasks) * self.nstruct,
            takes_self=True,
        ),
        init=False,
        validator=attr.validators.instance_of(int),
    )

Referenced by pyrosetta.distributed.cluster.utilities.SchedulerManager._maybe_adapt(), and pyrosetta.distributed.cluster.core.PyRosettaCluster._run().

◆ timeout

pyrosetta.distributed.cluster.core.PyRosettaCluster.timeout

static

Initial value:

=  attr.ib(
        type=float,
        default=0.5,
        validator=[_validate_float, attr.validators.instance_of((float, int))],
        converter=attr.converters.default_if_none(default=0.5),
    )

Referenced by pyrosetta.distributed.cluster.core.PyRosettaCluster._run(), and pyrosetta.distributed.cluster.logging_listeners.SocketListener.serve_until_stopped().

◆ yield_results

pyrosetta.distributed.cluster.core.PyRosettaCluster.yield_results

static

Initial value:

=  attr.ib(
        type=bool,
        init=False,
        default=False,
        validator=attr.validators.instance_of(bool),
        converter=_parse_yield_results,
    )

Referenced by pyrosetta.distributed.cluster.core.PyRosettaCluster._run(), pyrosetta.distributed.cluster.core.PyRosettaCluster.distribute(), and pyrosetta.distributed.cluster.core.PyRosettaCluster.generate().

The documentation for this class was generated from the following file:

src/python/PyRosetta/src/pyrosetta/distributed/cluster/core.py

Public Member Functions

Public Attributes

Static Public Attributes

Private Member Functions

Static Private Attributes

Member Function Documentation

◆ __attrs_post_init__()

◆ _create_future()

◆ _run()

◆ distribute()

◆ generate()

Member Data Documentation

◆ __doc__

◆ adapt_threshold

◆ client

◆ clients

◆ clients_dict

◆ compressed

◆ compression

◆ cooldown_time

◆ cores

◆ dashboard_address

◆ decoy_dir_name

◆ decoy_ids

◆ decoy_path

◆ dry_run

◆ environment

◆ environment_file

◆ filter_results

◆ ignore_errors

◆ input_packed_pose

◆ logging_address

◆ logging_file

◆ logging_level

◆ logs_dir_name

◆ logs_path

◆ max_delay_time

◆ max_workers

◆ memory

◆ min_workers

◆ nstruct

◆ output_path

◆ processes

◆ project_name

◆ protocols_key

◆ pyrosetta_build

◆ pyrosetta_init_args

◆ save_all

◆ scheduler

◆ scorefile_name

◆ scorefile_path

◆ scratch_dir

◆ seeds

◆ serializer

◆ sha1

◆ simulation_name

◆ simulation_records_in_scorefile

◆ system_info

◆ tasks

◆ tasks_size

◆ timeout

◆ yield_results

◆ doc