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)
