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Version:
5.0.3.post1 ▾
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import numpy as np
import scipy.sparse
import pytest
from qutip.core import data
from qutip.core.data import csr
from qutip import qeye, CoreOptions
from . import conftest
# We only choose a small subset of dtypes to test so it isn't crazy.
_dtype_complex = ['complex128']
_dtype_float = ['float64']
_dtype_int = ['int32', 'int64']
_dtype_uint = ['uint32']
# Set up some fixtures for automatic parametrisation.
@pytest.fixture(params=[
pytest.param((1, 5), id='bra'),
pytest.param((5, 1), id='ket'),
pytest.param((5, 5), id='square'),
pytest.param((2, 4), id='wide'),
pytest.param((4, 2), id='tall'),
])
def shape(request): return request.param
@pytest.fixture(params=[0.001, 1], ids=['sparse', 'dense'])
def density(request): return request.param
@pytest.fixture(params=[True, False], ids=['sorted', 'unsorted'])
def sorted_(request): return request.param
def _valid_scipy():
"""Arbitrary valid scipy CSR"""
return conftest.random_scipy_csr((10, 10), 0.5, True)
def _valid_arg():
"""
Arbitrary valid 3-tuple which is a valid `arg` parameter for __init__.
"""
sci = _valid_scipy()
return (sci.data, sci.indices, sci.indptr)
@pytest.fixture(scope='function')
def scipy_csr(shape, density, sorted_):
return conftest.random_scipy_csr(shape, density, sorted_)
@pytest.fixture(scope='function')
def data_csr(shape, density, sorted_):
return conftest.random_csr(shape, density, sorted_)
class TestClassMethods:
def test_init_from_tuple(self, scipy_csr):
"""
Test that __init__ does not throw when passed a 3-tuple. Also tests
the as_scipy() method succeeds.
"""
arg = (scipy_csr.data, scipy_csr.indices, scipy_csr.indptr)
out = data.CSR(arg, shape=scipy_csr.shape)
assert out.shape == scipy_csr.shape
assert (out.as_scipy() - scipy_csr).nnz == 0
@pytest.mark.parametrize('d_type', (
_dtype_complex + _dtype_float + _dtype_int + _dtype_uint
))
@pytest.mark.parametrize('c_type', _dtype_int + _dtype_uint)
@pytest.mark.parametrize('r_type', _dtype_int + _dtype_uint)
def test_init_from_tuple_allowed_dtypes(self, d_type, c_type, r_type):
"""
Test that initialisation can use a variety of dtypes and converts into
the correct type.
"""
sci = _valid_scipy()
data_nz = np.random.randn(sci.nnz).astype(d_type, casting='unsafe')
col_index = sci.indices.astype(c_type, casting='unsafe')
row_index = sci.indptr.astype(r_type, casting='unsafe')
scipy_csr = scipy.sparse.csr_matrix((data_nz, col_index, row_index),
shape=sci.shape)
out = data.CSR((data_nz, col_index, row_index), shape=sci.shape)
out_scipy = out.as_scipy()
assert out.shape == scipy_csr.shape
assert out_scipy.data.dtype == np.complex128
assert (out_scipy - scipy_csr).nnz == 0
def test_init_from_scipy(self, scipy_csr):
"""Test that __init__ can accept a scipy CSR matrix."""
out = data.CSR(scipy_csr)
assert out.shape == scipy_csr.shape
assert (out.as_scipy() - scipy_csr).nnz == 0
@pytest.mark.parametrize(['arg', 'kwargs', 'error'], [
pytest.param((), {}, ValueError, id="arg 0 tuple"),
pytest.param((None,), {}, ValueError, id="arg 1 tuple"),
pytest.param((None,)*2, {}, ValueError, id="arg 2 tuple"),
pytest.param((None,)*3, {}, TypeError, id="arg None tuple"),
pytest.param((None,)*4, {}, ValueError, id="arg 4 tuple"),
pytest.param(_valid_scipy(), {'shape': ()}, ValueError,
id="scipy-shape 0 tuple"),
pytest.param(_valid_scipy(), {'shape': (1,)}, ValueError,
id="scipy-shape 1 tuple"),
pytest.param(_valid_scipy(), {'shape': (None, None)}, ValueError,
id="scipy-shape None tuple"),
pytest.param(_valid_scipy(), {'shape': [2, 2]}, ValueError,
id="scipy-shape list"),
pytest.param(_valid_scipy(), {'shape': (1, 2, 3)}, ValueError,
id="scipy-shape 3 tuple"),
pytest.param(_valid_arg(), {'shape': ()}, ValueError,
id="arg-shape 0 tuple"),
pytest.param(_valid_arg(), {'shape': (1,)}, ValueError,
id="arg-shape 1 tuple"),
pytest.param(_valid_arg(), {'shape': (None, None)}, ValueError,
id="arg-shape None tuple"),
pytest.param(_valid_arg(), {'shape': [2, 2]}, TypeError,
id="arg-shape list"),
pytest.param(_valid_arg(), {'shape': (1, 2, 3)}, ValueError,
id="arg-shape 3 tuple"),
pytest.param(_valid_arg(), {'shape': (-1, -1)}, ValueError,
id="arg-negative shape"),
])
def test_init_from_wrong_input(self, arg, kwargs, error):
"""
Test that the __init__ method raises a suitable error when passed
incorrectly formatted inputs.
This test also serves as a *partial* check that CSR safely handles
deallocation in the presence of exceptions in its __init__ method. If
the tests segfault, it's quite likely that the memory management isn't
being done correctly in the hand-off us setting our data buffers up and
marking the numpy actually owns the data.
"""
with pytest.raises(error):
data.CSR(arg, **kwargs)
def test_copy_returns_a_correct_copy(self, data_csr):
"""
Test that the copy() method produces an actual copy, and that the
result represents the same matrix.
"""
original = data_csr
copy = data_csr.copy()
assert original is not copy
assert (original.as_scipy() - copy.as_scipy()).nnz == 0
def test_as_scipy_returns_a_view(self, data_csr):
"""
Test that modifying the views in the result of as_scipy() also modifies
the underlying data structures. This is important for allowing minor
data modifications from within Python-space.
"""
unmodified_copy = data_csr.copy()
data_csr.as_scipy().data[0] += 1
modified_copy = data_csr.copy()
assert (data_csr.as_scipy() - unmodified_copy.as_scipy()).nnz != 0
assert (data_csr.as_scipy() - modified_copy.as_scipy()).nnz == 0
def test_as_scipy_caches_result(self, data_csr):
"""
Test that the as_scipy() method always returns the same view, even if
called multiple times.
"""
assert data_csr.as_scipy() is data_csr.as_scipy()
def test_as_scipy_of_csr_from_scipy_is_different(self, scipy_csr):
"""
Test that we produce a new scipy matrix, regardless of how we have
initialised the type.
"""
assert data.CSR(scipy_csr).as_scipy() is not scipy_csr
def test_as_scipy_of_copy_is_different(self, data_csr):
"""
Test that as_scipy() does not return the same array, or the same views
if it's not the same input matrix. We don't want two CSR matrices to
be linked.
"""
original = data_csr.as_scipy()
copy = data_csr.copy().as_scipy()
assert original is not copy
assert not np.may_share_memory(original.data, copy.data)
assert not np.may_share_memory(original.indices, copy.indices)
assert not np.may_share_memory(original.indptr, copy.indptr)
def test_as_scipy_is_correct_result(self, scipy_csr):
"""
Test that as_scipy is actually giving the matrix we expect for a given
input.
"""
data_csr = data.CSR(scipy_csr)
assert isinstance(data_csr.as_scipy(), scipy.sparse.csr_matrix)
assert (data_csr.as_scipy() - scipy_csr).nnz == 0
def test_as_scipy_of_uninitialised_is_empty(self, shape, density):
nnz = int(shape[0] * shape[1] * density) or 1
base = csr.empty(shape[0], shape[1], nnz)
sci = base.as_scipy()
assert sci.nnz == 0
assert len(sci.data) == 0
assert len(sci.indices) == 0
def test_to_array_is_correct_result(self, data_csr):
test_array = data_csr.to_array()
assert isinstance(test_array, np.ndarray)
# It's not enough to be accurate within a tolerance here - there's no
# mathematics, so they should be _identical_.
assert np.all(test_array == data_csr.as_scipy().toarray())
def test_sorted_indices(self, data_csr):
# Some matrices _cannot_ be unsorted (e.g. if they have only one entry
# per row), so we add in this additional assertion message just to help
# out.
message = (
"Sort on {}sorted indices failed."
.format("" if data_csr.as_scipy().has_sorted_indices else "un")
)
# We test on a copy because scipy attempts to cache
# `has_sorted_indices`, but since it's a view, it has no idea what
# we've done to the indices behind the scenes and typically would not
# notice the change. The copy will return a difference scipy matrix,
# so the cache will not be built.
copy = data_csr.copy()
copy.sort_indices()
assert copy.as_scipy().has_sorted_indices, message
class TestFactoryMethods:
def test_empty(self, shape, density):
nnz = int(shape[0] * shape[1] * density) or 1
base = csr.empty(shape[0], shape[1], nnz)
sci = base.as_scipy(full=True)
assert isinstance(base, data.CSR)
assert isinstance(sci, scipy.sparse.csr_matrix)
assert base.shape == shape
assert sci.data.shape == (nnz,)
assert sci.indices.shape == (nnz,)
assert sci.indptr.shape == (shape[0] + 1,)
def test_zeros(self, shape):
base = csr.zeros(shape[0], shape[1])
sci = base.as_scipy()
assert isinstance(base, data.CSR)
assert base.shape == shape
assert sci.nnz == 0
assert sci.indptr.shape == (shape[0] + 1,)
@pytest.mark.parametrize('dimension', [1, 5, 100])
@pytest.mark.parametrize(
'scale',
[None, 2, -0.1, 1.5, 1.5+1j],
ids=['none', 'int', 'negative', 'float', 'complex']
)
def test_identity(self, dimension, scale):
# scale=None is testing that the default value returns the identity.
base = (csr.identity(dimension) if scale is None
else csr.identity(dimension, scale))
sci = base.as_scipy()
scipy_test = scipy.sparse.eye(dimension,
dtype=np.complex128, format='csr')
if scale is not None:
scipy_test *= scale
assert isinstance(base, data.CSR)
assert base.shape == (dimension, dimension)
assert sci.nnz == dimension
assert (sci - scipy_test).nnz == 0
@pytest.mark.parametrize(['diagonals', 'offsets', 'shape'], [
pytest.param([2j, 3, 5, 9], None, None, id='main diagonal'),
pytest.param([1], None, None, id='1x1'),
pytest.param([[0.2j, 0.3]], None, None, id='main diagonal list'),
pytest.param([0.2j, 0.3], 2, None, id='superdiagonal'),
pytest.param([0.2j, 0.3], -2, None, id='subdiagonal'),
pytest.param([[0.2, 0.3, 0.4], [0.1, 0.9]], [-2, 3], None,
id='two diagonals'),
pytest.param([1, 2, 3], 0, (3, 5), id='main wide'),
pytest.param([1, 2, 3], 0, (5, 3), id='main tall'),
pytest.param([[1, 2, 3], [4, 5]], [-1, -2], (4, 8), id='two wide sub'),
pytest.param([[1, 2, 3, 4], [4, 5, 4j, 1j]], [1, 2], (4, 8),
id='two wide super'),
pytest.param([[1, 2, 3], [4, 5]], [1, 2], (8, 4), id='two tall super'),
pytest.param([[1, 2, 3, 4], [4, 5, 4j, 1j]], [-1, -2], (8, 4),
id='two tall sub'),
pytest.param([[1, 2, 3], [4, 5, 6], [1, 2]], [1, -1, -2], (4, 4),
id='out of order'),
pytest.param([[1, 2, 3], [4, 5, 6], [1, 2]], [1, 1, -2], (4, 4),
id='sum duplicates'),
])
def test_diags(self, diagonals, offsets, shape):
base = csr.diags(diagonals, offsets, shape)
# Build numpy version test.
if not isinstance(diagonals[0], list):
diagonals = [diagonals]
offsets = np.atleast_1d(offsets if offsets is not None else [0])
if shape is None:
size = len(diagonals[0]) + abs(offsets[0])
shape = (size, size)
test = np.zeros(shape, dtype=np.complex128)
for diagonal, offset in zip(diagonals, offsets):
test[np.where(np.eye(*shape, k=offset) == 1)] += diagonal
assert isinstance(base, data.CSR)
assert base.shape == shape
np.testing.assert_allclose(base.to_array(), test, rtol=1e-10)
@pytest.mark.parametrize(['shape', 'position', 'value'], [
pytest.param((1, 1), (0, 0), None, id='minimal'),
pytest.param((10, 10), (5, 5), 1.j, id='on diagonal'),
pytest.param((10, 10), (1, 5), 1., id='upper'),
pytest.param((10, 10), (5, 1), 2., id='lower'),
pytest.param((10, 1), (5, 0), None, id='column'),
pytest.param((1, 10), (0, 5), -5j, id='row'),
pytest.param((10, 2), (5, 1), 1+2j, id='tall'),
pytest.param((2, 10), (1, 5), 10, id='wide'),
])
def test_one_element(self, shape, position, value):
test = np.zeros(shape, dtype=np.complex128)
if value is None:
base = data.one_element_csr(shape, position)
test[position] = 1.0+0.0j
else:
base = data.one_element_csr(shape, position, value)
test[position] = value
assert isinstance(base, data.CSR)
assert base.shape == shape
np.testing.assert_allclose(base.to_array(), test, atol=1e-10)
@pytest.mark.parametrize(['shape', 'position', 'value'], [
pytest.param((0, 0), (0, 0), None, id='zero shape'),
pytest.param((10, -2), (5, 0), 1.j, id='neg shape'),
pytest.param((10, 10), (10, 5), 1., id='outside'),
pytest.param((10, 10), (5, -1), 2., id='outside neg'),
])
def test_one_element_error(self, shape, position, value):
with pytest.raises(ValueError) as exc:
base = data.one_element_csr(shape, position, value)
assert str(exc.value).startswith("Position of the elements"
" out of bound: ")
class TestFromCSRBlocks:
class _blocks:
def __init__(self, rows, cols, ops, n_blocks=2, block_size=2):
self.rows = np.array(rows, dtype=data.base.idxint_dtype)
self.cols = np.array(cols, dtype=data.base.idxint_dtype)
if isinstance(ops, int):
ops = [csr.zeros(block_size, block_size)] * ops
self.ops = np.array(ops, dtype=object)
self.n_blocks = n_blocks
self.block_size = block_size
def from_csr_blocks(self):
return csr._from_csr_blocks(
self.rows, self.cols, self.ops,
self.n_blocks, self.block_size,
)
@pytest.mark.parametrize(['blocks'], [
pytest.param(_blocks((0, 1), (0,), 1), id='rows neq ops'),
pytest.param(_blocks((0,), (0, 1), 1), id='cols neq ops'),
])
def test_input_length_error(self, blocks):
with pytest.raises(ValueError) as exc:
blocks.from_csr_blocks()
assert str(exc.value) == (
"The arrays block_rows, block_cols and block_ops should have"
" the same length."
)
def test_op_shape_error(self):
blocks = self._blocks(
(0, 1), (0, 1),
(csr.zeros(2, 2), csr.zeros(3, 3)),
)
with pytest.raises(ValueError) as exc:
blocks.from_csr_blocks()
assert str(exc.value) == (
"Block operators (block_ops) do not have the correct shape."
)
@pytest.mark.parametrize(['blocks'], [
pytest.param(_blocks((1, 0), (0, 1), 2), id='rows not ordered'),
pytest.param(_blocks((1, 1), (1, 0), 2), id='cols not ordered'),
pytest.param(_blocks((1, 0), (1, 0), 2), id='non-unique block'),
])
def test_op_ordering_error(self, blocks):
with pytest.raises(ValueError) as exc:
blocks.from_csr_blocks()
assert str(exc.value) == (
"The arrays block_rows and block_cols must be sorted"
" by (row, column)."
)
@pytest.mark.parametrize(['blocks'], [
pytest.param(_blocks((), (), ()), id='no ops'),
pytest.param(_blocks((0, 1), (1, 0), 2), id='zero ops'),
])
def test_zeros_output_fast_paths(self, blocks):
out = blocks.from_csr_blocks()
assert out == csr.zeros(2 * 2, 2 * 2)
assert csr.nnz(out) == 0
def test_construct_identity_with_empty(self):
# users are not expected to be exposed to
# csr.empty directly, but it is good to
# avoid segfaults, so we test passing
# csr.empty(..) blocks here explicitly
blocks = self._blocks(
[0, 0, 1, 1], [0, 1, 0, 1], [
csr.identity(2), csr.empty(2, 2, 0),
csr.empty(2, 2, 0), csr.identity(2),
],
)
out = blocks.from_csr_blocks()
assert out == csr.identity(4)
assert csr.nnz(out) == 4
def test_construct_identity_with_zeros(self):
blocks = self._blocks(
[0, 0, 1, 1], [0, 1, 0, 1], [
csr.identity(2), csr.zeros(2, 2),
csr.zeros(2, 2), csr.identity(2),
],
)
out = blocks.from_csr_blocks()
assert out == csr.identity(4)
assert csr.nnz(out) == 4
def test_construct_kron(self):
A = np.array([[1, 2], [3, 4]])
B = np.array([[0.3, 0.35], [0.4, 0.45]])
B_op = data.to("csr", data.Dense(B))
blocks = self._blocks(
[0, 0, 1, 1], [0, 1, 0, 1], [
A[0, 0] * B_op, A[0, 1] * B_op,
A[1, 0] * B_op, A[1, 1] * B_op,
]
)
out = blocks.from_csr_blocks()
assert out == data.kron(data.Dense(A), data.Dense(B))
assert csr.nnz(out) == 16
def test_tidyup():
small = qeye(1) * 1e-5
with CoreOptions(auto_tidyup_atol=1e-3):
assert (small + small).tr() == 0
with CoreOptions(auto_tidyup_atol=1e-3, auto_tidyup=False):
assert (small + small).tr() == 2e-5