QCFractal API

qcfractal Package

Main init function for qcfractal

Functions

storage_socket_factory(uri[, project_name, …])

Factory for generating storage sockets.

Classes

FractalServer(name, port, loop, …[, …])

FractalSnowflake(max_workers, storage_uri, …)

FractalSnowflakeHandler(ncores)

PostgresHarness(config, Any], …)

QueueManager(client, queue_client, logger, …)

This object maintains a computational queue and watches for finished tasks for different queue backends.

TemporaryPostgres(database_name, tmpdir, …)

Class Inheritance Diagram

Inheritance diagram of qcfractal.server.FractalServer, qcfractal.snowflake.FractalSnowflake, qcfractal.snowflake.FractalSnowflakeHandler, qcfractal.postgres_harness.PostgresHarness, qcfractal.queue.managers.QueueManager, qcfractal.postgres_harness.TemporaryPostgres

qcfractal.queue Package

Initializer for the queue_handler folder

Functions

build_queue_adapter(workflow_client[, logger])

Constructs a queue manager based off the incoming queue socket type.

Classes

QueueManager(client, queue_client, logger, …)

This object maintains a computational queue and watches for finished tasks for different queue backends.

QueueManagerHandler(application, request, …)

Takes in a data packet the contains the molecule_hash, modelchem and options objects.

ServiceQueueHandler(application, request, …)

Takes in a data packet the contains the molecule_hash, modelchem and options objects.

TaskQueueHandler(application, request, **kwargs)

Takes in a data packet the contains the molecule_hash, modelchem and options objects.

Class Inheritance Diagram

Inheritance diagram of qcfractal.queue.managers.QueueManager, qcfractal.queue.handlers.QueueManagerHandler, qcfractal.queue.handlers.ServiceQueueHandler, qcfractal.queue.handlers.TaskQueueHandler

qcfractal.services Package

Base import for services

Functions

construct_service(storage_socket, logger, data)

Initializes a service from a JSON blob.

initialize_service(storage_socket, logger, …)

Initializes a service from a API call.