def test_coefficient_iter():
c = Coefficient(ar(6))
i = 0
for C in c:
assert len(C) == 1
i += 1
assert i == 6
for i, C in enumerate(c.iter(True)):
assert C == c.c[i]
def test_coefficient_sub():
state = ar(10)
state = Coefficient(state)
assert len(state) == 10
for i in range(len(state)):
assert len(state.sub(i)) == 1
for i, sub in enumerate(state):
assert len(sub) == 1
assert np.allclose(
state.sub(np.array([False, True, False, True])).c,
state.sub([1, 3]).c)
sub = state.sub(np.array([False, True, False, True]))
state.sub([1, 3], inplace=True)
assert np.allclose(sub.c, state.c)
def test_coefficient_creation1():
c = Coefficient(ar(6))
str(c)
assert len(c) == 6
assert c.shape == (6, )
assert c.dtype == np.float64
assert c.dkind == 'f'
assert len(c.sub(1)) == 1
assert np.allclose(c.sub(1).c, 1)
assert len(c.sub([1, 4])) == 2
assert np.allclose(c.sub([1, 4]).c, [1, 4])
assert np.allclose(c[1, 4].c, [1, 4])
def test_coefficient_copy():
c = Coefficient(ar(6), geom.graphene(), k='HELLO', test='test')
cc = c.copy()
assert cc.info['k'] == 'HELLO'
assert cc.info['test'] == 'test'
def test_coefficient_creation2():
c = Coefficient(ar(6), geom.graphene(), k='HELLO')
assert np.allclose(c.parent.xyz, geom.graphene().xyz)
assert c.info['k'] == 'HELLO'
