def test_compare_particles_datasets_not_equal(self):
# given
particles = Particles(name="test")
reference = Particles(name="test_ref")
particle_list = create_particles_with_id()
bond_list = create_bonds()
data = create_data_container()
particles.add_particles(particle_list)
reference.add_particles(particle_list)
particles.add_bonds(bond_list)
reference.add_bonds(bond_list)
particles.data = data
reference.data = data
# when/then
with self.assertRaises(AssertionError):
compare_particles_datasets(particles, reference, testcase=self)
# given
test_particles = create_particles_with_id()
particles = Particles(name=reference.name)
particles.add_particles(test_particles)
particles.add_bonds(bond_list)
particles.data = data
# when/then
with self.assertRaises(AssertionError):
compare_particles_datasets(particles, reference, testcase=self)
# given
test_bonds = create_bonds()
particles = Particles(name=reference.name)
particles.add_particles(particle_list)
particles.add_bonds(test_bonds)
particles.data = data
# when/then
with self.assertRaises(AssertionError):
compare_particles_datasets(particles, reference, testcase=self)
# given
test_data = DataContainer()
particles = Particles(name=reference.name)
particles.add_particles(particle_list)
particles.add_bonds(bond_list)
particles.data = test_data
# when/then
with self.assertRaises(AssertionError):
compare_particles_datasets(particles, reference, testcase=self)
def run_show():
particles = Particles("test")
random.seed(42)
for i in range(0, 1000):
particle = Particle(coordinates=(random.uniform(0.0, 10.0),
random.uniform(0.0, 10.0),
random.uniform(0.0, 10.0)))
particles.add_particles([particle])
show(particles)
def test_particles_snapshot(self):
particles = Particles("test")
random.seed(42)
for i in range(0, 1000):
p = Particle(coordinates=(random.uniform(0.0, 10.0),
random.uniform(0.0, 10.0),
random.uniform(0.0, 10.0)))
particles.add_particles([p])
snapshot(particles, self.filename)
self.assertTrue(os.path.exists(self.filename))
image = Image.open(self.filename)
self.assertTrue(image.size)
self.assertTrue(image.size[0] > 0 and image.size[1] > 0)
def test_compare_particles_datasets_equal(self):
# given
particles = Particles(name="test")
reference = Particles(name="test")
particle_list = create_particles_with_id()
bond_list = create_bonds()
data = DataContainer()
particles.add_particles(particle_list)
reference.add_particles(particle_list)
particles.add_bonds(bond_list)
reference.add_bonds(bond_list)
particles.data = data
reference.data = data
# this should pass without problems
compare_particles_datasets(particles, reference, testcase=self)
from simphony.visualisation import aviz
from simphony.cuds.particles import Particles, Particle
from simphony.core.cuba import CUBA
positions = [(1.0, 1.0, 1.0),
(2.0, 2.0, 2.0),
(1.5, 1.8, 1.9),
(2.0, 1.0, 1.5)]
velocities = [(1.0, 1.0, 1.0),
(2.0, 2.0, 2.0),
(1.5, 1.8, 1.9),
(2.0, 1.0, 1.5)]
mass = [1.0, 2.0, 10.0, 20]
# add particles
particles = [Particle(coordinates=positions[index],
data={CUBA.VELOCITY: velocities[index],
CUBA.MASS: mass[index]})
for index, position in enumerate(positions)]
my_particles = Particles("test")
my_particles.add_particles(particles)
aviz.create_xyz_file(my_particles, "test.xyz")
