Utils

Utility tools for runners

runner.utils.utils.cancel(input_id, database)[source]

Cancel run of input_id in the database

Parameters:
  • input_id (int) – input_id in the database

  • database (str) – the database name

runner.utils.utils.get_graphical_status(filename, input_ids, database, add_tasks=False, _get_info=<function _get_info>)[source]

Returns dot graph of the status of all parents of input_ids

Parameters:
  • filename (str) – name of file to store the graph (pdf, png or svg)

  • input_ids (int or list) – input_id(s) in the database

  • database (str) – the database name

  • add_tasks (bool) – adds tasks to the graph

runner.utils.utils.get_runner_list(database)[source]

Returns a dictionary of runners on database

Parameters:

database (str) – ASE database of atoms

Returns:

dict of runner names as keys and their running status as bool value

Return type:

dict

runner.utils.utils.get_status(input_id, database)[source]

Gets status of input_id in the database

Parameters:
  • input_id (int) – input_id in the database

  • database (str) – the database name

Returns:

the status of the run

Return type:

str

runner.utils.utils.remove_runner(runner_name, database, force=False)[source]

Removes runner from database, if not running

Parameters:
  • runner_name (str) – name of the runner

  • database (str) – ASE database

  • force (bool) – forcefully remove runner, if running

runner.utils.utils.stop_runner(runner_name, database)[source]

Stops runner through database metadata Runner isn’t stopped immediately, but before it enters sleep.

Parameters:
  • runner_name (str) – name of the runner

  • database (str) – ASE database

runner.utils.utils.submit(input_id, database, runner_name)[source]

Submits input_id in the database

Parameters:
  • input_id (int) – input_id in the database

  • database (str) – the database name

  • runner_name (str) – name of the runner