Module jobutils

Classes

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StringCleaner
Manages the cleaning of strings.

Functions

[hide private]

bool

check_license(panel=None)
Check if a valid MATERIALSCIENCE_MAIN token exists

str or None

create_run_dir(panel, jobname)
Create a subdirectory to run a job in, asking the user and removing existing directories if needed.

working_directory(*args, **kwds)
A context manager which changes the working directory to the given path, and then changes it back to its previous value on exit.

Variables

[hide private]

__package__ = 'schrodinger.application.matsci'

Function Details

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check_license(panel=None)

Check if a valid MATERIALSCIENCE_MAIN token exists

Parameters:

panel (schrodinger.ui.qt.appframework.AppFramework) - panel to use to put up an error dialog if no license

Returns: bool

True if valid license exists, False if not

create_run_dir(panel, jobname)

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

working_directory(*args, **kwds)

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