aizynthfinder.interfaces.gui package

Submodules

aizynthfinder.interfaces.gui.clustering module

Module containing a GUI extension for clustering

class aizynthfinder.interfaces.gui.clustering.ClusteringGui(routes, content='both')

Bases: object

GUI extension to cluster routes

Parameters:

• routes (RouteCollection) – the routes to cluster

• content (str) – what to cluster on

classmethod from_app(app, content='both')

Helper function to create a GUI from a GUI app interface

Parameters:

• app (AiZynthApp) – the app to extract the routes from

• content (str) – what to cluster on

Returns:

the GUI object

aizynthfinder.interfaces.gui.pareto_fronts module

Module containing a GUI extension for plotting pareto fronts

class aizynthfinder.interfaces.gui.pareto_fronts.ParetoFrontsGUI(tree, scorers)

Bases: object

GUI extension for plotting pareto fronts of routes.

Parameters:

• routes – the routes to plot

• scorers (ScorerCollection) – the available scorers

• tree (Union[MctsSearchTree, AndOrSearchTreeBase])

classmethod from_app(app)

, Helper function to create a GUI from a GUI app interface

Parameters:

app (AiZynthApp) – the app to extract the routes from

Returns:

the GUI object

aizynthfinder.interfaces.gui.utils module

Module containing utility functions for GUI.

aizynthfinder.interfaces.gui.utils.pareto_fronts_plot(routes)

Plot the pareto front(s).

Parameters:

routes (RouteCollection) – the route collection to plot as Pareto fronts

Return type:

None

aizynthfinder.interfaces.gui.utils.route_display(index, routes, output_widget)

Display a route with auxillary information in a widget

Parameters:

• index (Optional[int]) – the index of the route to display

• routes (RouteCollection) – the route collection

• output_widget (widgets.Output) – the widget to display the route on

Return type:

None

Module contents

Package for GUI extensions