class Simulator(object):
def __init__(self):
self.current_step = 0
self.molecules = MoleculeGenerator.generate()
print self.molecules
self.canvas = Canvas()
self.canvas.setup_timer(self.do_movement)
self.verlet = Verlet()
def do_movement(self):
self.current_step += 1
self.move_molecules()
self.canvas.refresh(self.molecules)
# Set the timer to go again
if self.current_step < max_steps:
if self.current_step % 500 == 0:
print "step %s/%s" % (self.current_step, max_steps)
self.canvas.setup_timer(self.do_movement)
else:
Plotter().plot(self.verlet.pes, self.verlet.kes)
def move_molecules(self):
self.verlet.process_molecules(self.molecules)
