def __init__(self):
self.system = ClosedSystem()
config = ConfigParser.ConfigParser()
config.read('parameters.ini')
self.system.n = config.getint('System parameters', 'n')
self.system.m = config.getfloat('System parameters', 'm')
self.system.eps = config.getfloat('System parameters', 'eps')
self.system.R = config.getfloat('System parameters', 'R')
self.system.f = config.getfloat('System parameters', 'f')
self.system.L = config.getfloat('System parameters', 'L')
self.system.a = config.getfloat('System parameters', 'a')
self.system.T0 = config.getfloat('System parameters', 'T0')
self.system.tau = config.getfloat('System parameters', 'tau')
self.So = config.getint('File management parameters', 'So')
self.Sd = config.getint('File management parameters', 'Sd')
self.Sout = config.getint('File management parameters', 'Sout')
self.Sxyz = config.getint('File management parameters', 'Sxyz')
self.system.create_particles()
self.Psr = 0
self.Tsr = 0
self.Vsr = 0
class Simulation(object):
def __init__(self):
self.system = ClosedSystem()
config = ConfigParser.ConfigParser()
config.read('parameters.ini')
self.system.n = config.getint('System parameters', 'n')
self.system.m = config.getfloat('System parameters', 'm')
self.system.eps = config.getfloat('System parameters', 'eps')
self.system.R = config.getfloat('System parameters', 'R')
self.system.f = config.getfloat('System parameters', 'f')
self.system.L = config.getfloat('System parameters', 'L')
self.system.a = config.getfloat('System parameters', 'a')
self.system.T0 = config.getfloat('System parameters', 'T0')
self.system.tau = config.getfloat('System parameters', 'tau')
self.So = config.getint('File management parameters', 'So')
self.Sd = config.getint('File management parameters', 'Sd')
self.Sout = config.getint('File management parameters', 'Sout')
self.Sxyz = config.getint('File management parameters', 'Sxyz')
self.system.create_particles()
self.Psr = 0
self.Tsr = 0
self.Vsr = 0
def start_calculation(self):
self.xyzFile = open('simulation_output', 'w')
self.stateFile = open('state_output', 'w')
self.system.calculate_state()
for s in xrange(self.So + self.Sd):
self.system.evolve()
if ( s % self.Sout == 0 ):
#zapis t, H, V, T, P do pliku
print(s*self.system.tau, self.system.T, self.system.P/16.6, self.system.V, self.system.Ek+self.system.V, file=self.stateFile)
if ( s % self.Sxyz == 0 ):
#zapis r[][], E[] do avs.dat (r,p)
for particle in self.system.particles:
print(particle.r[0], particle.r[1], particle.r[2], particle.p[0], particle.p[1], particle.p[2], file = self.xyzFile)
if ( s > self.So ):
#akumulacja wartosci usrednianych T', P', H'
self.Tsr += self.system.T/self.Sd
self.Psr += self.system.P/self.Sd
self.Vsr += self.system.V/self.Sd
self.xyzFile.close()
self.stateFile.close()