schrodinger.tasks.gui module

schrodinger.tasks.gui.start_task(task, parent=None)

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
Returns

whether the task started

Return type

bool

schrodinger.tasks.gui.write_task(task: schrodinger.tasks.tasks.AbstractTask, parent: PyQt6.QtWidgets.QWidget | None = None, cli: schrodinger.tasks.cli.CLI | 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

  • cli – the CLI instance to use for writing the .sh file

Returns

whether the write was successful