pestifer.util.progress module

Implements progress bar animations for pestifer runs outside of a batch system (for fun)

class pestifer.util.progress.NAMDProgress(**kwargs)

Bases: PestiferProgress

class pestifer.util.progress.PDB2PQRProgress(**kwargs)

Bases: PestiferProgress

class pestifer.util.progress.PackmolProgress(**kwargs)

Bases: PestiferProgress

class pestifer.util.progress.PestiferProgress(**kwargs)

Bases: object

finish()

Force the bar to 100% and end the line cleanly.

go()

Start the progress bar animation. This method initializes the progress bar and starts the animation. If a function has been registered with register_update_function(), it will be called to update the progress bar.

register_update_function(func: Callable)

Register a function to be called to update the progress bar. The function should return a float between 0 and 1 representing the progress.

Parameters:

func (callable) – A function that returns a float between 0 and 1 representing the progress. This function will be called to update the progress bar.

class pestifer.util.progress.PsfgenProgress(**kwargs)

Bases: PestiferProgress