schrodinger.application.phase.packages.hypo_refine.job_utils module

Module with phase_hypo_refine job control functionality.

Copyright Schrodinger LLC, All Rights Reserved.

schrodinger.application.phase.packages.hypo_refine.job_utils.get_common_args(args)

Returns a command containing arguments that are common to all subjobs.

Parameters

args (argparser.Namespace) – argparser.Namespace with command line options

Returns

Command with common arguments

Return type

list(str)

schrodinger.application.phase.packages.hypo_refine.job_utils.get_input_files(args)

Returns the names of the input files for the current job/subjob.

Parameters

args (argparse.Namespace) – Command line arguments

Returns

Input file names

Return type

list(str)

schrodinger.application.phase.packages.hypo_refine.job_utils.get_output_hypo(args)

Returns the name of the hypothesis file to create.

Parameters

args (argparse.Namespace) – Command line arguments

Returns

Output hypothesis file name

Return type

str

schrodinger.application.phase.packages.hypo_refine.job_utils.get_output_projects(args)

Returns the names of any zipped projects that would be created.

Parameters

args (argparse.Namespace) – Command line arguments

Returns

Output zipped project names

Return type

list(str)

schrodinger.application.phase.packages.hypo_refine.job_utils.remove_output_files(args)

Removes output files that would be created in the launch directory by the parent job.

Parameters

args (argparse.Namespace) – Command line arguments

schrodinger.application.phase.packages.hypo_refine.job_utils.save_hypo_for_job(args, hypo)

Saves the provided hypothesis as <jobname>.phypo and replaces args.hypo with this file name.

Parameters
  • args (argparse.Namespace) – Command line arguments

  • hypo (phase.PhpHypoAdaptor) – Hypothesis