TODO: add docs
TODO: add docs
Bases: fireworks.core.firetask.FireTaskBase, fireworks.utilities.fw_serializers.FWSerializable
A FireWork defines a workflow as a DAG (directed acyclical graph).
A Launch is a describes a FireWork’s run on a computing resource.
The output parameter is a dict that gets passed to the ‘output’ parameter of the LaunchInfo being analyzed. The output is a dict that:
- stores any metadata about the decision
- is used by Fuses of child FWs to determine how to proceed
Bases: fireworks.utilities.fw_serializers.FWSerializable
Iterate through the launch_data, and find the Launch that is furthest ahead. That is the state of the FireWork as a whole.
This is a ‘full’ dict representation of a FireWork. It contains redundant fields that enhance information retrieval.
This is a ‘minimal’ or ‘compact’ dict representation of the FireWork
Bases: fireworks.utilities.fw_serializers.FWSerializable
A set of global constants for FireWorks (Python code as a config file)
This module contains classes relevant for a FireWorker (worker computing resource)
Bases: fireworks.utilities.fw_serializers.FWSerializable
Bases: fireworks.utilities.fw_serializers.FWSerializable
The QueueAdapter is responsible for all interactions with a specific queue management system. This includes handling all details of queue script format as well as queue submission and management.
A user should extend this class with implementations that work on specific queue systems.
returns the number of jobs in the queue, probably using subprocess or shutil to call a command like ‘qstat’. returns None when the number of jobs cannot be determined.
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returns a (multi-line) String representing the queue script, e.g. PBS script. All details of the queue script must be specified in the RocketParams().
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submits the job to the queue, probably using subprocess or shutil :param rocket_params: A RocketParams() instance :param script_file: name of the script file to use (String)
Bases: fireworks.utilities.fw_serializers.FWSerializable
A RocketParams instance contains all the information needed to write a queue file and submit to a queue system. Details of the queue file format and queue submission commands should be included in the QueueAdapterBase object. Specific parameters used by the QueueAdapterBase should be included in the params variable.
Note: The QueueAdapter is loaded based on its fw_name alone See the docs for to_dict() for more details
Note: the QueueAdapter is being serialized using the FW name alone This keeps the serialization compact and easy to edit by humans. The from_dict() will dynamically find the correct QueueAdapter using its fw_name.
The LaunchPad manages the FireWorks database.
Bases: fireworks.utilities.fw_serializers.FWSerializable
The LaunchPad manages the FireWorks database.
Given a FireWork id, give back a FireWork object :param fw_id: FireWork id (int) :param ignore_children: if True, does not return parent or child FireWorks, just a single workflow step.
Return all the fw ids that match a query :param query: a dict representing a Mongo query
Checkout the next FireWork id
Checkout the next Launch id
Create a new FireWorks database. This will overwrite the existing FireWorks database! To safeguard against accidentally erasing an existing database, a password must be entered. :param password: A String representing today’s date, e.g. ‘2012-12-31’ :param require_password: Whether a password is required to initialize the DB. Highly recommended to leave this set to True, otherwise you are inviting dangerous behavior!
Note: usernames/passwords are exported as unencrypted Strings!
Given a FireWork, either insert it into the database or update the FireWork with the same id.
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TODO: add docs
This module is used to submit jobs to a queue on a cluster. It can submit a single job, or if used in “rapid-fire” mode, can submit multiple jobs within a directory structure. The details of job submission and queue communication are handled using RocketParams, which specifies a QueueAdapter as well as desired properties of the submit script.
Submit a single job to the queue.
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Submit many jobs to the queue.
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