def testQueries(self):
""" Test the configuration's query functions. """
config = KMCConfiguration.__new__(KMCConfiguration)
c0_ref = numpy.random.random()
c1_ref = numpy.random.random()
c2_ref = numpy.random.random()
# Set the backend proxy.
class BackendProxy(object):
def __init__(self):
pass
def elements(self):
return ("B", "F", "A")
def atomIDElements(self):
return ("A", "B", "F")
def atomIDCoordinates(self):
return (Backend.Coordinate(c0_ref,c1_ref,c2_ref),)
config._KMCConfiguration__backend = BackendProxy()
# Query and check.
atom_id_types = config.atomIDTypes()
atom_id_coords = config.atomIDCoordinates()
lattice_types = config.types()
self.assertEqual(atom_id_types, ("A","B","F"))
self.assertEqual(lattice_types, ["B","F","A"])
self.assertAlmostEqual(atom_id_coords[0][0], c0_ref, 10)
self.assertAlmostEqual(atom_id_coords[0][1], c1_ref, 10)
self.assertAlmostEqual(atom_id_coords[0][2], c2_ref, 10)
def testQueries(self):
""" Test the configuration's query functions. """
config = KMCConfiguration.__new__(KMCConfiguration)
c0_ref = numpy.random.random()
c1_ref = numpy.random.random()
c2_ref = numpy.random.random()
# Set the backend proxy.
class BackendProxy(object):
def __init__(self):
pass
def elements(self):
return ("B", "F", "A")
def atomIDElements(self):
return ("A", "B", "F")
def atomIDCoordinates(self):
return (Backend.Coordinate(c0_ref, c1_ref, c2_ref), )
config._KMCConfiguration__backend = BackendProxy()
# Query and check.
atom_id_types = config.atomIDTypes()
atom_id_coords = config.atomIDCoordinates()
lattice_types = config.types()
self.assertEqual(atom_id_types, ("A", "B", "F"))
self.assertEqual(lattice_types, ["B", "F", "A"])
self.assertAlmostEqual(atom_id_coords[0][0], c0_ref, 10)
self.assertAlmostEqual(atom_id_coords[0][1], c1_ref, 10)
self.assertAlmostEqual(atom_id_coords[0][2], c2_ref, 10)
def testQueries(self):
""" Test the configuration's query functions. """
config = KMCConfiguration.__new__(KMCConfiguration)
config._KMCConfiguration__use_buckets = False
c0_ref = numpy.random.random()
c1_ref = numpy.random.random()
c2_ref = numpy.random.random()
# Set the backend proxy.
class BackendProxy(object):
def __init__(self):
pass
def elements(self):
return ("B", "F", "A")
def atomIDElements(self):
return ("A", "B", "F")
def atomIDCoordinates(self):
return (Backend.Coordinate(c0_ref, c1_ref, c2_ref), )
def movedAtomIDs(self):
return (123, 234)
def latestEventProcess(self):
return 995976943
def latestEventSite(self):
return 556462676
def particlesPerType(self):
return (123, 467, 432)
config._KMCConfiguration__backend = BackendProxy()
# Query and check.
atom_id_types = config.atomIDTypes()
atom_id_coords = config.atomIDCoordinates()
lattice_types = config.types()
moved_atom_ids = config.movedAtomIDs()
latest_event_process = config.latestEventProcess()
latest_event_site = config.latestEventSite()
particles_per_type = config.particlesPerType()
self.assertEqual(atom_id_types, ("A", "B", "F"))
self.assertEqual(lattice_types, ["B", "F", "A"])
self.assertAlmostEqual(atom_id_coords[0][0], c0_ref, 10)
self.assertAlmostEqual(atom_id_coords[0][1], c1_ref, 10)
self.assertAlmostEqual(atom_id_coords[0][2], c2_ref, 10)
self.assertEqual(moved_atom_ids, (123, 234))
self.assertEqual(latest_event_process, 995976943)
self.assertEqual(latest_event_site, 556462676)
self.assertEqual(particles_per_type, (123, 467, 432))
def testQueries(self):
""" Test the configuration's query functions. """
config = KMCConfiguration.__new__(KMCConfiguration)
config._KMCConfiguration__use_buckets = False
c0_ref = numpy.random.random()
c1_ref = numpy.random.random()
c2_ref = numpy.random.random()
# Set the backend proxy.
class BackendProxy(object):
def __init__(self):
pass
def elements(self):
return ("B", "F", "A")
def atomIDElements(self):
return ("A", "B", "F")
def atomIDCoordinates(self):
return (Backend.Coordinate(c0_ref,c1_ref,c2_ref),)
def movedAtomIDs(self):
return (123, 234)
def latestEventProcess(self):
return 995976943
def latestEventSite(self):
return 556462676
def particlesPerType(self):
return (123, 467, 432)
config._KMCConfiguration__backend = BackendProxy()
# Query and check.
atom_id_types = config.atomIDTypes()
atom_id_coords = config.atomIDCoordinates()
lattice_types = config.types()
moved_atom_ids = config.movedAtomIDs()
latest_event_process = config.latestEventProcess()
latest_event_site = config.latestEventSite()
particles_per_type = config.particlesPerType()
self.assertEqual(atom_id_types, ("A","B","F"))
self.assertEqual(lattice_types, ["B","F","A"])
self.assertAlmostEqual(atom_id_coords[0][0], c0_ref, 10)
self.assertAlmostEqual(atom_id_coords[0][1], c1_ref, 10)
self.assertAlmostEqual(atom_id_coords[0][2], c2_ref, 10)
self.assertEqual(moved_atom_ids, (123, 234))
self.assertEqual(latest_event_process, 995976943)
self.assertEqual(latest_event_site, 556462676)
self.assertEqual(particles_per_type, (123, 467, 432))
