queens package#

The QUEENS package.

Subpackages#

Submodules#

queens.global_settings module#

Global Settings.

This module provides a context for QUEENS runs with exit functionality for logging and working with remote resources.

class GlobalSettings(experiment_name, output_dir, debug=False)[source]#

Bases: object

Class for global settings in Queens.

experiment_name#

Experiment name of queens run

Type:

str

output_dir#

Output directory for queens run

Type:

Path

git_hash#

Hash of active git commit

Type:

str

debug#

True if debug mode is to be used

Type:

bool

print_git_information()[source]#

Print information on the status of the git repository.

result_file(extension: str, suffix: str = None) → Path[source]#

Create path to a result file with a given extension.

Parameters:

  • extension (str) – The extension of the file.

  • suffix (str, optional) – The suffix to be appended to the experiment_name i.e. the default stem of the filename.

Returns:

Path – Path of the file.

queens.main module#

QUEENS main.

Main module of QUEENS containing the high-level control routine for input file workflow.

main()[source]#

Main function.

run(input_file, output_dir, debug=False)[source]#

Do a QUEENS run.

Parameters:

  • input_file (Path) – Path object to the input file

  • output_dir (Path) – Path object to the output directory

  • debug (bool) – True if debug mode is to be used

run_iterator(iterator, global_settings)[source]#

Run the main queens iterator.

Parameters:

  • iterator (Iterator) – Main queens iterator

  • global_settings (GlobalSettings) – settings of the QUEENS experiment including its name and the output directory