Module jobutils

Add a keyword argument to the parser

Parameters:

• parser (argparse.ArgumentParser) - The parser to add this argument to

Adds keystring and keydict properties to the argparse options object that are the list of keyword arguments turned into, respectively, a string or a dictionary. Valid keyword syntax is checked for.

Typical usage:

jobutils.add_keyword_parser_argument(parser) options = parser.parse_args(args) jobutils.parse_keyword_list(options) print options.keystring, options.keydict

Parameters:

• options (argparse.Namespace) - The parser Namespace object with a keywords attribute
• exit_on_error (bool) - True if the ValueError for keyword syntax should result in a message being printed and sys.exit() being called, False if the error should just be raised.

Raises:

• ValueError - If an invalid keyword pair syntax is detected and handle_error is False

Check if a valid token exists

Parameters:

• panel (schrodinger.ui.qt.appframework.AppFramework) - panel to use to put up an error dialog if no license
• token (schrodinger.utils.license constant) - A token type from the schrodinger.utils.license module, such as MATERIALSCIENCE_MAIN or MATERIALSCIENCE_GA
• name (str) - The user-identifiable name for the token - used for error messages. If not provided, the string used in the license module for this token (if one exists) will be used.
• as_validator (bool) - If True, this function will work as an AF2 validation method. Instead of posting a dialog or printing a message for a failed license check, it will return (False, error_message).

Returns: bool or (bool, str)

True if valid license exists. If no valid license exists, False will be returned by default, but (False, msg) will be returned if as_validator=True. Note that (False, msg) evalutes to True so must be handled by the calling routine as not a boolean if as_validator=True.

Create a subdirectory to run a job in, asking the user and removing existing directories if needed.

Parameters:

• panel (schrodinger.ui.qt.appframework.AppFramework) - panel to use to put up an error dialog if no license
• jobname (str) - The name of the job. The directory will be jobname + _dir

Returns: str or None

The path to the directory or None if an existing directory was found and the user elected not to remove it

Change a text string from a file to a value. Converts string values of special Python tokens such as True, False or None to the Python tokens. Converts numbers to int or float if possible.

Parameters:

• string (str) - The string to convert

Returns:

string converted to, in order of preference: [True|False|None], int, float, or input type

A context manager which changes the working directory to the given path, and then changes it back to its previous value on exit.

Decorators:

• @contextlib.contextmanager

Zip up all the requested files and set the resulting zip file as the job control backend structure output file (if runnning under job control).

Parameters:

• zipname (str) - The name of the zip archive to create
• filelist (list) - Each item in filelist is the name of a file to add to file zipname