def test_initialization_with_cuds(self):
# given
points = [
[0.0, 0.0, 0.0], [1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]]
bonds = [[0, 1], [0, 3], [1, 3, 2]]
point_temperature = [10., 20., 30., 40.]
bond_temperature = [60., 80., 190., 5.]
reference = Particles('test')
# add particles
particle_iter = (Particle(coordinates=point,
data=DataContainer(TEMPERATURE=temp))
for temp, point in zip(point_temperature, points))
point_uids = reference.add(particle_iter)
# add bonds
bond_iter = (Bond(particles=[point_uids[index] for index in indices],
data=DataContainer(TEMPERATURE=temp))
for temp, indices in zip(bond_temperature, bonds))
bond_uids = reference.add(bond_iter)
# when
container = VTKParticles.from_particles(reference)
# then
number_of_particles = sum(1 for _ in container.iter(
item_type=CUBA.PARTICLE))
self.assertEqual(number_of_particles, len(point_uids))
for expected in reference.iter(item_type=CUBA.PARTICLE):
self.assertEqual(container.get(expected.uid), expected)
number_of_bonds = sum(1 for _ in container.iter(item_type=CUBA.BOND))
self.assertEqual(number_of_bonds, len(bond_uids))
for expected in reference.iter(item_type=CUBA.BOND):
self.assertEqual(container.get(expected.uid), expected)
def generate_cuds(self):
pset1 = create_particles_with_id(restrict=[CUBA.VELOCITY])
for p in pset1:
p.data[CUBA.MATERIAL_TYPE] = 1
pset2 = create_particles_with_id(restrict=[CUBA.VELOCITY])
for p in pset2:
p.data[CUBA.MATERIAL_TYPE] = 1
ps1 = Particles('ps1')
ps2 = Particles('ps2')
ps1.add(pset1)
ps2.add(pset2)
c = CUDS()
c.add([ps2])
mat = api.Material()
mat.data[CUBA.MASS] = 1.0
c.add([mat])
box = api.Box()
c.add([box])
return c
def test_add_named_dataset(self):
ps = Particles('my particles')
ps.add([Particle(), Particle()])
c = CUDS()
c.add([ps])
self.assertEqual(c.get_by_name(ps.name), ps)
self.assertRaises(ValueError, c.add, [ps])
def test_add_named_dataset(self):
ps = Particles('my particles')
ps.add([Particle(), Particle()])
c = CUDS()
c.add([ps])
self.assertEqual(c.get_by_name(ps.name), ps)
self.assertRaises(ValueError, c.add, [ps])
def test_remove_dataset(self):
ps = Particles('my particles')
ps.add([Particle(), Particle()])
c = CUDS()
c.add([ps])
c.remove([ps.uid])
self.assertRaises(KeyError, c.get, ps.uid)
def test_remove_dataset(self):
ps = Particles('my particles')
ps.add([Particle(), Particle()])
c = CUDS()
c.add([ps])
c.remove([ps.uid])
self.assertRaises(KeyError, c.get, ps.uid)
def test_iter_datasets_types(self):
dataset = Particles('M1')
dataset.add([Particle(), Particle()])
c = CUDS()
c.add([dataset])
for ps in c.iter(item_type=CUBA.PARTICLES):
self.assertIsInstance(ps, Particles)
self.assertIn(ps, [dataset])
def test_iter_datasets_types(self):
dataset = Particles('M1')
dataset.add([Particle(),
Particle()])
c = CUDS()
c.add([dataset])
for ps in c.iter(item_type=CUBA.PARTICLES):
self.assertIsInstance(ps, Particles)
self.assertIn(ps, [dataset])
def _create_pc(name):
""" create particle container with a few particles """
pc = Particles(name)
data = DataContainer()
data[CUBA.VELOCITY] = (0.0, 0.0, 0.0)
pc.add([Particle(coordinates=(1.01, 1.01, 1.01), data=data),
Particle(coordinates=(1.02, 1.02, 1.02), data=data)])
return pc
def generate_particles(smp_particles, smp_conditions, smp_materials, smp_pe):
# Define the particle containers.
particles = SParticles(name='particles')
# Fill the data ( particle )
data = DataContainer()
data[CUBA.RADIUS] = 5e-5
particles.add([
SParticle(
coordinates=(0.002, 0.004, 0.004),
data=DataContainer(data),
)
])
material = api.Material(name='material_' + particles.name)
materialData = material.data
materialData[CUBA.DENSITY] = 950.0
materialData[CUBA.YOUNG_MODULUS] = 35e9
materialData[CUBA.POISSON_RATIO] = 0.20
materialData[CUBA.FRICTION_COEFFICIENT] = 0.5773502691896257
# materialData[CUBA.PARTICLE_COHESION] = 0.0
materialData[CUBA.RESTITUTION_COEFFICIENT] = 0.02
materialData[CUBA.ROLLING_FRICTION] = 0.01
# materialData[CUBA.DEM_CONTINUUM_CONSTITUTIVE_LAW_NAME] = \
# "DEM_KDEMFabric"
# materialData[CUBA.DEM_DISCONTINUUM_CONSTITUTIVE_LAW_NAME] = \
# "DEM_D_Hertz_viscous_Coulomb"
# materialData[CUBA.CONTACT_TAU_ZERO] = 25
# materialData[CUBA.CONTACT_SIGMA_MIN] = 5
# materialData[CUBA.CONTACT_INTERNAL_FRICC] = 1
material.data = materialData
particlesData = particles.data
particlesData[CUBA.MATERIAL] = material.name
particles.data = particlesData
# Pack the return objects
smp_particles.append(particles)
smp_materials.append(material)
# Add the datasets that will be used by the wrapper
smp_pe.data[CUBA.DATA_SET].append(particles.name)
return {
'datasets': smp_particles,
'conditions': smp_conditions,
'materials': smp_materials,
'pe': smp_pe,
}
def test_particles_snapshot(self):
filename = self.filename
coordinates = numpy.array([
[0, 0, 0], [1, 0, 0], [0, 1, 0], [0, 0, 1],
[2, 0, 0], [3, 0, 0], [3, 1, 0], [2, 1, 0],
[2, 0, 1], [3, 0, 1], [3, 1, 1], [2, 1, 1]],
'f')
particles = Particles('test')
particle_iter = (Particle(coordinates=point+3)
for point in coordinates)
particles.add(particle_iter)
snapshot(particles, filename)
self.assertImageSavedWithContent(filename)
def test_iter_datasets_dimention(self):
ps1 = Particles('M1')
ps2 = Particles('M2')
ps1.add([Particle(), Particle()])
ps2.add([Particle(), Particle()])
c = CUDS()
c.add([ps1])
c.add([ps2])
cuds_list = []
for component in c.iter(item_type=CUBA.PARTICLES):
cuds_list.append(component)
self.assertTrue(len(cuds_list), 2)
def test_iter_datasets_dimention(self):
ps1 = Particles('M1')
ps2 = Particles('M2')
ps1.add([Particle(), Particle()])
ps2.add([Particle(), Particle()])
c = CUDS()
c.add([ps1])
c.add([ps2])
cuds_list = []
for component in c.iter(item_type=CUBA.PARTICLES):
cuds_list.append(component)
self.assertTrue(len(cuds_list), 2)
def test_particles_show(self):
coordinates = numpy.array([
[0, 0, 0], [1, 0, 0], [0, 1, 0], [0, 0, 1],
[2, 0, 0], [3, 0, 0], [3, 1, 0], [2, 1, 0],
[2, 0, 1], [3, 0, 1], [3, 1, 1], [2, 1, 1]],
'f')
particles = Particles('test')
particle_iter = (Particle(coordinates=point+3)
for point in coordinates)
particles.add(particle_iter)
def function():
show(particles)
return True
tester = ModalDialogTester(function)
tester.open_and_run(when_opened=lambda x: x.close(accept=False))
self.assertTrue(tester.result)
def _handle_new_particles(self, uname, particles):
"""Add new particle container to this manager.
Parameters
----------
uname : string
non-changing unique name of particles
particles : ABCParticles
particle container to be added
"""
# create stand-alone particle container to use
# as a cache of for input/output to LAMMPS
pc = Particles(name="_")
pc.data = DataContainer(particles.data)
for p in particles.iter(item_type=CUBA.PARTICLE):
pc.add([p])
for b in particles.iter(item_type=CUBA.BOND):
pc.add([b])
self._pc_cache[uname] = pc
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(particle_list)
reference.add(particle_list)
particles.add(bond_list)
reference.add(bond_list)
particles.data = data
reference.data = data
# this should pass without problems
compare_particles_datasets(particles, reference, testcase=self)
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(particle_list)
reference.add(particle_list)
particles.add(bond_list)
reference.add(bond_list)
particles.data = data
reference.data = data
# this should pass without problems
compare_particles_datasets(particles, reference, testcase=self)
def read_data_file(filename, atom_style=None, name=None):
""" Reads LAMMPS data file and create CUDS objects
Reads LAMMPS data file and create a Particles and CUDS. The CUDS
will contain a material for each atom type (e.g. CUBA.MATERIAL_TYPE).
The attributes for each particle are based upon what atom-style
the file contains (i.e. "sphere" means that particles in addition to having
CUBA.VELOCITY will also have a CUBA.RADIUS and CUBA.MASS). See
'atom_style' for more details.
Parameters
----------
filename : str
filename of lammps data file
atom_style : AtomStyle, optional
type of atoms in the file. If None, then an attempt of
interpreting the atom-style in the file is performed.
name : str, optional
name to be given to returned Particles. If None, then filename is
used.
Returns
-------
particles : Particles
particles
SD : CUDS
SD containing materials
"""
handler = LammpsSimpleDataHandler()
parser = LammpsDataFileParser(handler=handler)
parser.parse(filename)
if atom_style is None:
atom_style = (
get_atom_style(handler.get_atom_type())
if handler.get_atom_type()
else AtomStyle.ATOMIC)
types = (atom_t for atom_t in
range(1, handler.get_number_atom_types() + 1))
atoms = handler.get_atoms()
velocities = handler.get_velocities()
masses = handler.get_masses()
box_origin = handler.get_box_origin()
box_vectors = handler.get_box_vectors()
type_to_material_map = {}
statedata = CUDS()
# set up a Material for each different type
for atom_type in types:
material = Material()
description = "Material for lammps atom type (originally '{}')".format(
atom_type
)
material.description = description
type_to_material_map[atom_type] = material.uid
statedata.add([material])
# add masses to materials
for atom_type, mass in masses.iteritems():
material = statedata.get(type_to_material_map[atom_type])
material.data[CUBA.MASS] = mass
statedata.update([material])
def convert_atom_type_to_material(atom_type):
return type_to_material_map[atom_type]
interpreter = LammpsDataLineInterpreter(atom_style,
convert_atom_type_to_material)
# create particles
particles = Particles(name=name if name else filename)
data = particles.data
data.update({CUBA.ORIGIN: box_origin,
CUBA.VECTOR: box_vectors})
particles.data = data
# add each particle
for lammps_id, values in atoms.iteritems():
coordinates, data = interpreter.convert_atom_values(values)
data.update(interpreter.convert_velocity_values(velocities[lammps_id]))
p = Particle(coordinates=coordinates, data=data)
particles.add([p])
return particles, statedata
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(particle_list)
reference.add(particle_list)
particles.add(bond_list)
reference.add(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(test_particles)
particles.add(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(particle_list)
particles.add(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(particle_list)
particles.add(bond_list)
particles.data = test_data
# when/then
with self.assertRaises(AssertionError):
compare_particles_datasets(particles, reference, testcase=self)
from numpy import array
from simphony.cuds.particles import Particles, Particle, Bond
from simphony.core.data_container import DataContainer
points = array([[0, 0, 0], [1, 0, 0], [0, 1, 0], [0, 0, 1]], 'f')
bonds = array([[0, 1], [0, 3], [1, 3, 2]])
temperature = array([10., 20., 30., 40.])
particles = Particles('test')
# add particles
particle_iter = (Particle(coordinates=point,
data=DataContainer(TEMPERATURE=temperature[index]))
for index, point in enumerate(points))
uids = particles.add(particle_iter)
# add bonds
bond_iter = (Bond(particles=[uids[index] for index in indices])
for indices in bonds)
particles.add(bond_iter)
if __name__ == '__main__':
from simphony.visualisation import mayavi_tools
# Visualise the Particles object
mayavi_tools.show(particles)
class TestCUBADataExtractor(UnittestTools, unittest.TestCase):
def setUp(self):
self.points = [
[0.0, 0.0, 0.0], [1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]]
self.temperature = numpy.arange(4)
self.velocity = [
(0.5, 0.5, 0.5), (1.0, 0.0, 1.0), (1.0, 1.0, 0.0), (1.0, 1.0, 1.0)]
self.bonds = [[0, 1], [0, 3], [1, 3, 2]]
self.container = Particles('test')
# add particles
particle_list = []
for index, point in enumerate(self.points):
data = DataContainer(
TEMPERATURE=self.temperature[index],
VELOCITY=self.velocity[index])
particle_list.append(Particle(coordinates=point, data=data))
self.point_uids = self.container.add(particle_list)
# add bonds
bond_iter = (Bond(particles=[self.point_uids[index]
for index in indices],
data=DataContainer(NAME=str(len(indices))))
for indices in self.bonds)
self.bond_uids = self.container.add(bond_iter)
def test_initialization(self):
container = self.container
extractor = CUBADataExtractor(function=functools.partial(
container.iter, item_type=CUBA.PARTICLE))
self.assertEqual(
extractor.available, set((CUBA.TEMPERATURE, CUBA.VELOCITY)))
self.assertEqual(extractor.data, {})
def test_selectinng_available(self):
container = self.container
extractor = CUBADataExtractor(function=functools.partial(
container.iter, item_type=CUBA.PARTICLE))
with self.assertTraitChanges(extractor, 'data', count=1):
extractor.selected = CUBA.TEMPERATURE
self.assertEqual(len(extractor.data), 4)
for uid, data in extractor.data.iteritems():
particle = container.get(uid)
self.assertEqual(particle.data[CUBA.TEMPERATURE], data)
def test_selecting_none(self):
extractor = CUBADataExtractor(
function=functools.partial(
self.container.iter, item_type=CUBA.PARTICLE))
with self.assertTraitChanges(extractor, 'data', count=2):
extractor.selected = CUBA.TEMPERATURE
extractor.selected = None
self.assertEqual(extractor.data, {})
def test_selecting_unavailable(self):
container = self.container
extractor = CUBADataExtractor(
function=functools.partial(container.iter,
item_type=CUBA.PARTICLE))
with self.assertTraitChanges(extractor, 'data', count=1):
extractor.selected = CUBA.NAME
self.assertEqual(len(extractor.data), 4)
for uid, data in extractor.data.iteritems():
self.assertTrue(container.has(uid))
self.assertEqual(data, None)
def test_function_change(self):
container = self.container
extractor = CUBADataExtractor(
function=functools.partial(container.iter,
item_type=CUBA.PARTICLE))
extractor.selected = CUBA.TEMPERATURE
with self.assertRaises(TraitError):
extractor.function = functools.partial(container.iter,
item_type=CUBA.BOND)
def test_keys_filtering(self):
container = self.container
extractor = CUBADataExtractor(
function=functools.partial(
container.iter,
item_type=CUBA.PARTICLE),
keys=set(self.point_uids[:1]))
extractor.selected = CUBA.TEMPERATURE
particle = container.get(self.point_uids[0])
self.assertEqual(
extractor.data,
{self.point_uids[0]: particle.data[CUBA.TEMPERATURE]})
def test_keys_filtering_change(self):
container = self.container
extractor = CUBADataExtractor(
function=functools.partial(
container.iter,
item_type=CUBA.PARTICLE), keys=set(self.point_uids[:1]))
extractor.selected = CUBA.TEMPERATURE
with self.assertTraitChanges(extractor, 'data', count=1):
extractor.keys = set(self.point_uids)
self.assertEqual(len(extractor.data), 4)
for uid, data in extractor.data.iteritems():
particle = container.get(uid)
self.assertEqual(particle.data[CUBA.TEMPERATURE], data)
from mayavi.scripts import mayavi2
from simphony.cuds.particles import Particles, Particle, Bond
from simphony.core.data_container import DataContainer
points = array([[0, 0, 0], [1, 0, 0], [0, 1, 0], [0, 0, 1]], 'f')
bonds = array([[0, 1], [0, 3], [1, 3, 2]])
temperature = array([10., 20., 30., 40.])
container = Particles('test')
# add particles
particle_iter = (Particle(coordinates=point,
data=DataContainer(TEMPERATURE=temperature[index]))
for index, point in enumerate(points))
uids = container.add(particle_iter)
# add bonds
bond_iter = (Bond(particles=[uids[index] for index in indices])
for indices in bonds)
container.add(bond_iter)
# Now view the data.
@mayavi2.standalone
def view():
from mayavi.modules.surface import Surface
from mayavi.modules.glyph import Glyph
from simphony_mayavi.sources.api import CUDSSource
mayavi.new_scene() # noqa
class TestParticlesSource(unittest.TestCase):
tested_class = CUDSSource
def setUp(self):
self.points = [
[0.0, 0.0, 0.0], [1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]]
self.bonds = [[0, 1], [0, 3], [1, 3, 2]]
self.point_temperature = [10., 20., 30., 40.]
self.bond_temperature = [60., 80., 190., 5.]
self.container = Particles('test')
# add particles
def particle_iter():
for temp, point in zip(self.point_temperature, self.points):
yield Particle(coordinates=point,
data=DataContainer(TEMPERATURE=temp))
self.point_uids = self.container.add(particle_iter())
# add bonds
def bond_iter():
for temp, indices in zip(self.bond_temperature, self.bonds):
yield Bond(particles=[self.point_uids[index]
for index in indices],
data=DataContainer(TEMPERATURE=temp))
self.bond_uids = self.container.add(bond_iter())
# for testing save/load visualization
self.temp_dir = tempfile.mkdtemp()
def tearDown(self):
shutil.rmtree(self.temp_dir)
def test_source_from_vtk_particles(self):
# given
container = VTKParticles('test')
container.add(self.container.iter(item_type=CUBA.PARTICLE))
container.add(self.container.iter(item_type=CUBA.BOND))
# when
source = self.tested_class(cuds=container)
# then
self.assertIs(source.data, container.data_set)
self.assertIs(source.cuds, container)
def test_particles(self):
# given
container = self.container
# when
source = self.tested_class(cuds=container)
# then
points = source.data.points.to_array()
dataset = source.data
vtk_cuds = source._vtk_cuds
number_of_particles = len(self.points)
self.assertEqual(len(points), number_of_particles)
self.assertEqual(len(vtk_cuds.particle2index), number_of_particles)
self.assertEqual(dataset.point_data.number_of_arrays, 1)
temperature = dataset.point_data.get_array('TEMPERATURE')
for key, index in vtk_cuds.particle2index.iteritems():
point = container.get(key)
assert_array_equal(points[index], point.coordinates)
self.assertEqual(temperature[index], point.data[CUBA.TEMPERATURE])
def test_bonds(self):
# given
container = self.container
# when
source = self.tested_class(cuds=container)
# then
dataset = source.data
vtk_cuds = source._vtk_cuds
bonds = [
bond for bond in cell_array_slicer(dataset.lines.to_array())]
number_of_bonds = len(self.bonds)
self.assertEqual(len(bonds), number_of_bonds)
self.assertEqual(len(vtk_cuds.bond2index), number_of_bonds)
self.assertEqual(dataset.cell_data.number_of_arrays, 1)
temperature = dataset.cell_data.get_array('TEMPERATURE')
for key, index in vtk_cuds.bond2index.iteritems():
bond = container.get(key)
particles = [
vtk_cuds.particle2index[uid] for uid in bond.particles]
self.assertEqual(bonds[index], particles)
self.assertEqual(temperature[index], bond.data[CUBA.TEMPERATURE])
def test_particles_source_name(self):
# given
particles = Particles(name='my_particles')
# when
source = self.tested_class(cuds=particles)
# then
self.assertEqual(source.name, 'my_particles (CUDS Particles)')
def check_save_load_visualization(self, engine):
# set up the visualization
container = self.container
source = self.tested_class(cuds=container)
engine.add_source(source)
# save the visualization
saved_viz_file = os.path.join(self.temp_dir, 'test_saved_viz.mv2')
engine.save_visualization(saved_viz_file)
engine.close_scene(engine.current_scene)
# restore the visualization
engine.load_visualization(saved_viz_file)
# then
source_in_scene = engine.current_scene.children[0]
points = source_in_scene.data.points.to_array()
dataset = source_in_scene.data
number_of_particles = len(self.points)
# data is restored
self.assertEqual(len(points), number_of_particles)
self.assertEqual(dataset.point_data.number_of_arrays, 1)
# But cuds and vtk_cuds are not available
self.assertIsNone(source_in_scene._vtk_cuds)
self.assertIsNone(source_in_scene._cuds)
@unittest.skipIf(is_mayavi_older("4.4.4"),
"Mayavi < 4.4.4 has problem with load_visualization")
def test_save_load_visualization_with_mlab(self):
# test mlab.get_engine
engine = mlab.get_engine()
try:
self.check_save_load_visualization(engine)
finally:
mlab.clf()
mlab.close(all=True)
def test_save_load_visualization_with_null_engine(self):
self.check_save_load_visualization(NullEngine())
def test_add_nameless_dataset(self):
ps = Particles(None)
ps.add([Particle(), Particle()])
c = CUDS()
self.assertRaises(TypeError, c.add, [ps])
def test_add_nameless_dataset(self):
ps = Particles(None)
ps.add([Particle(), Particle()])
c = CUDS()
self.assertRaises(TypeError, c.add, [ps])
class TestParticlesSlimSource(TestParticlesSource):
tested_class = SlimCUDSSource
def setUp(self):
self.points = [
[0.0, 0.0, 0.0], [1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]]
self.bonds = [[0, 1], [0, 3], [1, 3, 2]]
self.point_temperature = [10., 20., 30., 40.]
self.point_radius = [1., 2., 3., 4.]
self.point_mass = [4., 8., 16., 32.]
self.bond_temperature = [60., 80., 190., 5.]
self.container = Particles('test')
# add particles
def particle_iter():
for temp, radius, mass, point in zip(
self.point_temperature,
self.point_radius,
self.point_mass,
self.points):
yield Particle(coordinates=point,
data=DataContainer(
TEMPERATURE=temp,
RADIUS=radius,
MASS=mass))
self.point_uids = self.container.add(particle_iter())
# add bonds
def bond_iter():
for temp, indices in zip(self.bond_temperature, self.bonds):
yield Bond(particles=[self.point_uids[index]
for index in indices],
data=DataContainer(
TEMPERATURE=temp,
))
self.bond_uids = self.container.add(bond_iter())
# for testing save/load visualization
self.temp_dir = tempfile.mkdtemp()
def test_particles(self):
cuds = self.container
source = SlimCUDSSource(cuds=cuds)
self.assertEqual(len(source._point_scalars_list), 4)
for entry in ['', 'MASS', 'RADIUS', 'TEMPERATURE']:
self.assertIn(entry, source._point_scalars_list)
dataset = source.data
self.assertEqual(dataset.point_data.number_of_arrays, 1)
self.assertEqual(source.point_scalars_name, 'MASS')
source.point_scalars_name = "TEMPERATURE"
dataset = source.data
points = dataset.points.to_array()
vtk_cuds = source._vtk_cuds
self.assertEqual(dataset.point_data.number_of_arrays, 1)
temperature = dataset.point_data.get_array('TEMPERATURE')
for key, index in vtk_cuds.particle2index.iteritems():
point = self.container.get(key)
assert_array_equal(points[index], point.coordinates)
self.assertEqual(temperature[index], point.data[CUBA.TEMPERATURE])
source.point_scalars_name = "MASS"
self.assertEqual(dataset.point_data.number_of_arrays, 1)
dataset = source.data
mass = dataset.point_data.get_array('MASS')
for key, index in vtk_cuds.particle2index.iteritems():
point = self.container.get(key)
assert_array_equal(points[index], point.coordinates)
self.assertEqual(mass[index], point.data[CUBA.MASS])
source.point_scalars_name = ""
dataset = source.data
self.assertEqual(dataset.point_data.number_of_arrays, 0)
def test_available_keys(self):
available_keys = _available_keys(self.container)
self.assertEqual(available_keys["point_scalars"],
{CUBA.TEMPERATURE,
CUBA.RADIUS,
CUBA.MASS})
self.assertEqual(available_keys["point_vectors"], set())
self.assertEqual(available_keys["cell_scalars"], {CUBA.TEMPERATURE})
self.assertEqual(available_keys["cell_vectors"], set())
def test_bonds(self):
source = SlimCUDSSource(cuds=self.container)
# We should have two entries in the available cuba data, one for
# temperature and one for blank
self.assertEqual(len(source._cell_scalars_list), 2)
for entry in ['', 'TEMPERATURE']:
self.assertIn(entry, source._cell_scalars_list)
dataset = source.data
# The actual array set in the cell data should be empty if selection
# is blank
self.assertEqual(dataset.cell_data.number_of_arrays, 1)
self.assertEqual(source.cell_scalars_name, 'TEMPERATURE')
# Clearing should empty the data again
source.cell_scalars_name = ""
dataset = source.data
self.assertEqual(dataset.cell_data.number_of_arrays, 0)
# Selecting temperature triggers the transfer from cuds to vtk cuds
# of only the selected array
source.cell_scalars_name = "TEMPERATURE"
dataset = source.data
vtk_cuds = source._vtk_cuds
bonds = [
bond for bond in cell_array_slicer(dataset.lines.to_array())]
number_of_bonds = len(self.bonds)
self.assertEqual(len(bonds), number_of_bonds)
self.assertEqual(len(vtk_cuds.bond2index), number_of_bonds)
self.assertEqual(dataset.cell_data.number_of_arrays, 1)
temperature = dataset.cell_data.get_array('TEMPERATURE')
for key, index in vtk_cuds.bond2index.iteritems():
bond = self.container.get(key)
particles = [
vtk_cuds.particle2index[uid] for uid in bond.particles]
self.assertEqual(bonds[index], particles)
self.assertEqual(temperature[index], bond.data[CUBA.TEMPERATURE])
@unittest.skip("Cannot perform save/load with SlimCUDSSource")
def test_save_load_visualization_with_mlab(self):
pass
@unittest.skip("Cannot perform save/load with SlimCUDSSource")
def test_save_load_visualization_with_null_engine(self):
pass
def test_start_setup(self):
source = SlimCUDSSource(cuds=self.container)
self.assertEqual(source.point_scalars_name, "MASS")
self.assertEqual(source.point_vectors_name, "")
self.assertEqual(source.cell_scalars_name, "TEMPERATURE")
self.assertEqual(source.cell_vectors_name, "")
self.assertEqual(len(source._point_scalars_list), 4)
self.assertEqual(len(source._point_vectors_list), 1)
self.assertEqual(len(source._cell_scalars_list), 2)
self.assertEqual(len(source._cell_vectors_list), 1)
source = SlimCUDSSource(cuds=self.container,
point_scalars="TEMPERATURE")
self.assertEqual(source.point_scalars_name, "TEMPERATURE")
self.assertEqual(source.point_vectors_name, "")
self.assertEqual(source.cell_scalars_name, "TEMPERATURE")
self.assertEqual(source.cell_vectors_name, "")
self.assertEqual(len(source._point_scalars_list), 4)
self.assertEqual(len(source._point_vectors_list), 1)
self.assertEqual(len(source._cell_scalars_list), 2)
self.assertEqual(len(source._cell_vectors_list), 1)
def test_changing_names(self):
source = SlimCUDSSource(cuds=self.container,
point_scalars="TEMPERATURE")
point_attrs, cell_attrs = get_all_attributes(source.data)
self.assertEqual(len(point_attrs["scalars"]), 1)
self.assertEqual(point_attrs["scalars"][0], "TEMPERATURE")
source.point_scalars_name = ""
point_attrs, cell_attrs = get_all_attributes(source.data)
self.assertEqual(len(point_attrs["scalars"]), 0)
def test_unexistent_choice(self):
# This should work and trigger no error
source = SlimCUDSSource(point_scalars="TEMPERATURE")
self.assertEqual(source.point_scalars_name, '')
def test_changing_cuds(self):
source = SlimCUDSSource()
source.cuds = self.container
source.point_scalars_name = "TEMPERATURE"
point_attrs, cell_attrs = get_all_attributes(source.data)
self.assertEqual(len(point_attrs["scalars"]), 1)
self.assertEqual(point_attrs["scalars"][0], "TEMPERATURE")
source.point_scalars_name = ""
point_attrs, cell_attrs = get_all_attributes(source.data)
self.assertEqual(len(point_attrs["scalars"]), 0)
def test_combo_selection_preserved(self):
dummy_engine = DummyEngine()
source = SlimCUDSSource(cuds=dummy_engine.get_dataset("particles"),
point_scalars="MASS", point_vectors="")
self.assertEqual(source.point_scalars_name, "MASS")
self.assertEqual(source.point_vectors_name, "")
source.start()
self.assertEqual(source.point_scalars_name, "MASS")
self.assertEqual(source.point_vectors_name, "")
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(particle_list)
reference.add(particle_list)
particles.add(bond_list)
reference.add(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(test_particles)
particles.add(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(particle_list)
particles.add(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(particle_list)
particles.add(bond_list)
particles.data = test_data
# when/then
with self.assertRaises(AssertionError):
compare_particles_datasets(particles, reference, testcase=self)
def generate_fibers(smp_particles, smp_conditions, smp_materials, smp_pe):
# Define the particle containers.
fibers = SParticles(name='fibers')
# Fill the data ( fiber )
data = DataContainer()
data[CUBA.RADIUS] = 1e-5
fiberCoords = [
(0.1166666666666666685, 0.5083333333333333037, 0.5166666666666666075),
(0.1499999999999999944, 0.5250000000000000222, 0.5500000000000000444),
(0.1833333333333333481, 0.5416666666666667407, 0.5833333333333332593),
(0.2166666666666666741, 0.5583333333333333481, 0.6166666666666666963),
(0.2500000000000000000, 0.5749999999999999556, 0.6499999999999999112),
(0.2833333333333333259, 0.5916666666666665630, 0.6833333333333333481)
]
fibers.add([
SParticle(
coordinates=fiberCoords[0],
data=DataContainer(data),
),
SParticle(
coordinates=fiberCoords[1],
data=DataContainer(data),
),
SParticle(
coordinates=fiberCoords[2],
data=DataContainer(data),
),
SParticle(
coordinates=fiberCoords[3],
data=DataContainer(data),
),
SParticle(
coordinates=fiberCoords[4],
data=DataContainer(data),
),
SParticle(
coordinates=fiberCoords[5],
data=DataContainer(data),
)
])
material = api.Material(name='material_' + fibers.name)
materialData = material.data
materialData[CUBA.DENSITY] = 1050.0
materialData[CUBA.YOUNG_MODULUS] = 1.0e9
materialData[CUBA.POISSON_RATIO] = 0.20
materialData[CUBA.FRICTION_COEFFICIENT] = 0.9999999999999999
# materialData[CUBA.PARTICLE_COHESION] = 0.0
materialData[CUBA.RESTITUTION_COEFFICIENT] = 0.02
materialData[CUBA.ROLLING_FRICTION] = 0.01
# materialData[CUBA.FABRIC_COEFFICIENT] = 0.1
# materialData[CUBA.DEM_CONTINUUM_CONSTITUTIVE_LAW_NAME] = \
# "DEM_KDEMFabric"
# materialData[CUBA.DEM_DISCONTINUUM_CONSTITUTIVE_LAW_NAME] = \
# "DEM_D_Hertz_viscous_Coulomb"
# materialData[CUBA.CONTACT_TAU_ZERO] = 25
# materialData[CUBA.CONTACT_SIGMA_MIN] = 5
# materialData[CUBA.CONTACT_INTERNAL_FRICC] = 1
material.data = materialData
fibersData = fibers.data
fibersData[CUBA.MATERIAL] = material.name
fibers.data = fibersData
# Pack the return objects
smp_particles.append(fibers)
smp_materials.append(material)
# Add the datasets that will be used by the wrapper
smp_pe.data[CUBA.DATA_SET].append(fibers.name)
return {
'datasets': smp_particles,
'conditions': smp_conditions,
'materials': smp_materials,
'pe': smp_pe,
}
input_particles = []
for pos in atoms1:
pos2 = [pos[0] * a_latt, pos[1] * a_latt, pos[2] * a_latt]
p = Particle(coordinates=pos2)
# p = api.Particle(position=pos2)
# Usually, user asks the MD program to initialize the velocities
# according to a Maxwell-Boltzmann distribution. In this example
# we define a uniform random distribution, the MD algorithm will
# in any case result in a MB one quickly.
p.data[CUBA.VELOCITY] = [
numpy.random.uniform(-0.5, 0.5),
numpy.random.uniform(-0.5, 0.5),
numpy.random.uniform(-0.5, 0.5)
]
pc.add([p])
input_particles.append(p)
# Calculate the velocity of center of mass and reset it to zero to
# avoid drift of the whole system.
v_cm = [0, 0, 0]
for p in pc.iter(item_type=CUBA.PARTICLE):
v_cm[0] += p.data[CUBA.VELOCITY][0]
v_cm[1] += p.data[CUBA.VELOCITY][1]
v_cm[2] += p.data[CUBA.VELOCITY][2]
number_of_points = pc.count_of(CUBA.PARTICLE)
v_cm[0] /= number_of_points
v_cm[1] /= number_of_points