schrodinger.tasks.gui module

schrodinger.tasks.gui.run_task_preprocessing(task: AbstractTask, parent: PyQt6.QtWidgets.QWidget | None = None, run_in_write_mode: bool = False) → bool

Run task preprocessing with GUI interaction.

Preprocessing errors will be shown in a message box, and preprocessing warnings will be shown to the user in the form of a question box that allows the user to continue or cancel.

Parameters:

• task – the task to preprocess

• parent – the parent widget for popup messages

• run_in_write_mode – Whether to run the preprocessing within the write context.

Returns:

whether preprocessing succeeded (user didn’t cancel)

schrodinger.tasks.gui.start_task(task: AbstractTask, parent: PyQt6.QtWidgets.QWidget | None = None, write: bool = True) → bool

Start a task using the GUI to interact with preprocessing. Preprocessing errors will be shown in a message box, and preprocessing warnings will be shown to the user in the form a of a question box that allows the user to continue or cancel start.

Parameters:

• task – the task to start

• parent – the parent widget, used for positioning the popup messages

• write – if True, write the .sh file after starting.

Returns:

whether the task started

schrodinger.tasks.gui.write_task(task: AbstractTask, parent: PyQt6.QtWidgets.QWidget | None = None) → bool

Write a task using the GUI to interact with preprocessing. Preprocessing errors will be shown in a message box, and preprocessing warnings will be shown to the user in the form of a question box that allows the user to continue or cancel write.

Parameters:

• task – the task to write

• parent – the parent widget, used for positioning the popup messages

Returns:

whether the write was successful