schrodinger.application.bb_database.bb_job_utils module¶
Does job-specific work for bb_database_driver.py.
Copyright Schrodinger LLC, All Rights Reserved.
- exception schrodinger.application.bb_database.bb_job_utils.MissingInputFileError¶
Bases:
Exception
Used when an input file for a job is missing.
- schrodinger.application.bb_database.bb_job_utils.get_jobname(args: argparse.Namespace) str ¶
Returns the job name based on the environment or args.
- schrodinger.application.bb_database.bb_job_utils.get_key_files(args: argparse.Namespace) list[str] ¶
Returns key file names based on args.bbkeys and whether runtime paths should be used.
- schrodinger.application.bb_database.bb_job_utils.set_input_and_output_files(args: argparse.Namespace, jsb: schrodinger.job.launchapi.JobSpecificationArgsBuilder) None ¶
Registers input and output files through a JobSpecificationArgsBuilder. Raises a MissingInputFileError if a required input file is missing.
- schrodinger.application.bb_database.bb_job_utils.set_jsb_input_file(jsb: schrodinger.job.launchapi.JobSpecificationArgsBuilder, infile: str) None ¶
Wrapper around JobSpecificationArgsBuilder.setInputFile() that raises a MissingInputFileError when the aforementioned function raises a RuntimeError due to a missing input file. Re-raises the RuntimeError if it occurs for a different reason.