def showUI(*args, **kwargs): if chimera.nogui: tk.Tk().withdraw() ui = QMSetupDialog(*args, **kwargs) model = Model(gui=ui) controller = Controller(gui=ui, model=model) ui.enter()
def showUI(): if chimera.nogui: tk.Tk().withdraw() global ui if not ui: ui = PoPMuSiCExtension() model = Model(gui=ui) controller = Controller(gui=ui, model=model) ui.enter()
def showUI(*args, **kwargs): if chimera.nogui: tk.Tk().withdraw() model = Model() global ui if not ui: ui = DummyDialog(*args, **kwargs) model.gui = ui controller = Controller(gui=ui, model=model) ui.enter()
def showUI(callback=None, *args, **kwargs): """ Requested by Chimera way-of-doing-things """ if chimera.nogui: tk.Tk().withdraw() global ui if not ui: # Edit this to reflect the name of the class! ui = MMSetupDialog(*args, **kwargs) model = Model(gui=ui) controller = Controller(gui=ui, model=model) ui.enter() if callback: ui.addCallback(callback)
optimization.report() # Choose problem to solve problem_ids = [] ##problem_ids = range(0,230) ##problem_ids = chain(range(200,203), range(191, 193)) for problem_id in problem_ids: print(f"######### Solving problem {problem_id} #########") # Initialize the settings update_settings(problem_id) # Initialize the model model = Model() # Check computation setup build_surrogate = bool(settings["surrogate"]["surrogate"]) load_surrogate = settings["surrogate"]["surrogate"] == "load" train_from_data = settings["data"]["evaluator"] == "data" perform_optimization = bool(settings["optimization"]["algorithm"]) # Initialize if build_surrogate: surrogate = Surrogate(model) if perform_optimization: optimization = Optimization(model) # Perform computation # Surrogate only
def model(self, key): return Model(key)