`ovo.core.logic.design_logic`¶

Module Contents¶

`get_design_jobs_table`	Get pandas DataFrame with job and pool metadata and workflow parameter information.
`get_pools_table`
`format_pool_status`
`get_workflows_table`	Get pandas DataFrame with workflow parameter information for each pool.
`submit_design_workflow`	Submit a design workflow to the scheduler and create a Pool and DesignJob in the DB.
`get_log`	Get the log of a design job from the scheduler.
`process_results`	Process the results of a design job and return the pool object.
`update_acceptance_thresholds`	Update the accepted designs in a pool based on the given acceptance thresholds.
`update_accepted_design_ids`
`set_designs_accepted`	Update the accepted field of designs based on the given thresholds (does not save to DB)
`collect_storage_paths`	Collect storage paths from designs based on fields returned by DesignWorkflow.get_download_fields().

ovo.core.logic.design_logic.get_design_jobs_table(project_id: str = None, round_ids: list[str] = None, update=True, **pool_filters) → pandas.DataFrame¶: Get pandas DataFrame with job and pool metadata and workflow parameter information.

ovo.core.logic.design_logic.get_pools_table(project_id: str = None, round_ids: list[str] = None)¶

ovo.core.logic.design_logic.format_pool_status(job: ovo.core.database.models.DesignJob, processed: bool, update_status: bool = True)¶

ovo.core.logic.design_logic.get_workflows_table(jobs: list[ovo.core.database.models.DesignJob])¶: Get pandas DataFrame with workflow parameter information for each pool.

ovo.core.logic.design_logic.submit_design_workflow(workflow: ovo.core.database.models.Workflow, scheduler_key: str, round_id: str, pool_name: str, pool_description: str, return_existing: bool = True, pipeline_name: str = None) → tuple[ovo.core.database.models.DesignJob, ovo.core.database.models.Pool]¶

Submit a design workflow to the scheduler and create a Pool and DesignJob in the DB.

Parameters:

workflow – Workflow object to submit
scheduler_key – Key of the scheduler to use
round_id – ID of the Round to associate the Pool with
pool_name – Name of the Pool to create
pool_description – Description of the Pool to create
return_existing – If a Pool with the same name and parameters already exists in this round, return it instead of raising an error
pipeline_name – Override the pipeline name to submit, e.g. ovo.rfdiffusion-end-to-end or a github url with @version

Returns:

Tuple of (DesignJob, Pool)

ovo.core.logic.design_logic.get_log(design_job: ovo.core.database.models.DesignJob, tail: int = None) → str¶: Get the log of a design job from the scheduler.

ovo.core.logic.design_logic.process_results(design_job: ovo.core.database.models.DesignJob, callback: Callable = None, wait=True) → ovo.core.database.models.Pool¶

Process the results of a design job and return the pool object.

This downloads/copies the workflow results into Storage and saves the Design and DescriptorValue objects to the database.

ovo.core.logic.design_logic.update_acceptance_thresholds(pools: list[ovo.core.database.models.Pool], acceptance_thresholds: dict[str, ovo.core.database.models.Threshold])¶

Update the accepted designs in a pool based on the given acceptance thresholds.

Save the Design objects and the DesignJob.workflow.acceptance_thresholds to the DB.

ovo.core.logic.design_logic.update_accepted_design_ids(pool_ids: list[str], accepted_design_ids: list[str])¶

ovo.core.logic.design_logic.set_designs_accepted(designs: list[ovo.core.database.models.Design], descriptor_values: list[ovo.core.database.models.DescriptorValue], thresholds: dict[str, ovo.core.database.models.Threshold])¶: Update the accepted field of designs based on the given thresholds (does not save to DB)

ovo.core.logic.design_logic.collect_storage_paths(download_fields: dict[str, tuple[ovo.core.database.models.Base, str]], design_ids: list) → list[str]¶: Collect storage paths from designs based on fields returned by DesignWorkflow.get_download_fields().