def createObjects():
m = random.randint(1, 100)
v = random.randint(1, 100)
h = random.randint(1, 100)
values = energy.Energy(m, v, h)
values.set_ke()
values.set_pe()
ke = values.get_ke()
pe = values.get_pe()
return ke, pe
def ExpansionMove(self, alpha):
"""
Compute the minimum a-expansion configuration
:param alpha: int
:return: bool, whether the move is different from identity
"""
nb = self.imSizeL[0] * self.imSizeL[1]
e = energy.Energy(2 * nb, 12 * nb)
# Build Graph
# data and occlusion term
for index, _ in np.ndenumerate(self.posIter):
self.build_nodes(e, index, alpha)
# smooth term
for index, _ in np.ndenumerate(self.posIter):
for neighbor in NEIGHBORS:
coordP2 = coord_add(index, neighbor)
if inRect(coordP2, self.imSizeL):
self.build_smoothness(e, index, coordP2, alpha)
# uniqueness term
for index, _ in np.ndenumerate(self.posIter):
self.build_uniqueness(e, index, alpha)
oldEnergy = self.currentEnergy
# Max-flow, give the lowest-energy expansion move
self.currentEnergy = e.minimize()
# lower energy, accept the expansion move
if self.currentEnergy < oldEnergy:
self.update_disparity(e, alpha)
# assert (self.ComputeEnergy() == self.currentEnergy)
return True
else:
self.currentEnergy = oldEnergy
return False
def test_UnitlessLennardJones_factory(self):
model = energy.Energy()
coord = np.zeros((1, 3))
energy_1 = model.calc_init_ener(coord, 1)
self.assertEqual(energy_1, 0)
def test_LennardJones_factory(self):
model = energy.Energy('LJ')
coord = np.array([[1, 2, 3], [0, 0, 0]])
energy_1 = model.calc_init_ener(coord, 3)
self.assertEqual(energy_1, -0.2187499999999999)
help='whether to plot the initial and final \
configurations. Specify "-p" to plot.')
parser.add_argument('-o',
'--traj_file',
required=False,
default='traj_output.xyz',
help='The file name of the trajectory data file.')
args_parse = parser.parse_args()
return args_parse
if __name__ == "__main__":
rc('font', **{
'family': 'sans-serif',
'sans-serif': ['DejaVu Sans'],
'size': 10
})
# Set the font used for MathJax - more on this later
rc('mathtext', **{'default': 'regular'})
plt.rc('font', family='serif')
args = initialize()
new_system = SystemSetup(N_particles=args.N_particles,
reduced_rho=args.reduced_rho)
energy = energy.Energy()
sim = MonteCarlo(system=new_system, energy=energy, args=args)
sim.MC_simulation()
sys.exit(0)