def test_get_neighbor_vectors():
# chain
latt = Lattice.chain()
latt.add_atom()
latt.add_connections(2)
# Nearest neighbors
expected = np.array([[1], [-1]])
for idx in latt.get_neighbor_vectors(alpha=0, distidx=0):
assert any((expected == idx).all(axis=1))
# Next nearest neighbors
expected = np.array([[-2], [2]])
for idx in latt.get_neighbor_vectors(alpha=0, distidx=1):
assert any((expected == idx).all(axis=1))
# square
latt = Lattice.square()
latt.add_atom()
latt.add_connections(2)
# Nearest neighbors
expected = np.array([[1, 0], [0, -1], [0, 1], [-1, 0]])
for idx in latt.get_neighbor_vectors(alpha=0, distidx=0):
assert any((expected == idx).all(axis=1))
# Next nearest neighbors
expected = np.array([[1, -1], [-1, -1], [-1, 1], [1, 1]])
for idx in latt.get_neighbor_vectors(alpha=0, distidx=1):
assert any((expected == idx).all(axis=1))
SiteOccupiedError,
NoAtomsError,
NoConnectionsError,
NotAnalyzedError,
)
from lattpy import Lattice, Circle, Atom
import lattpy as lp
settings.load_profile("lattpy")
atom = Atom()
PI = np.pi
TWOPI = 2 * np.pi
chain = Lattice.chain(a=1.0)
rchain = Lattice(TWOPI)
square = Lattice.square(a=1.0)
rsquare = Lattice(TWOPI * np.eye(2))
rect = Lattice.rectangular(a1=2.0, a2=1.0)
rrect = Lattice(PI * np.array([[1, 0], [0, 2]]))
hexagonal = Lattice.hexagonal(a=1)
rhexagonal = Lattice(
np.array([[+2.0943951, +3.62759873], [+2.0943951, -3.62759873]]))
sc = Lattice.sc(a=1.0)
rsc = Lattice(TWOPI * np.eye(3))
fcc = Lattice.fcc(a=1.0)