diff --git a/qsymm/__init__.py b/qsymm/__init__.py
index 43bd01ed7969696796752962450c4c3d3e4a160e..65b78de8850f651197e92adfbab6e43dce78589a 100644
--- a/qsymm/__init__.py
+++ b/qsymm/__init__.py
@@ -13,5 +13,3 @@ from .hamiltonian_generator import continuum_hamiltonian, continuum_pairing, dis
from .symmetry_finder import symmetries, discrete_symmetries, conserved_quantities, \
continuous_symmetries, bravais_point_group
from .kwant_continuum import sympify
-
-del _version
diff --git a/qsymm/groups.py b/qsymm/groups.py
index 5160d904a9ed31d3f20294d24b68cfc496c0d3f8..34eafd14d59962b25c6ee6f19335cbefc2ac51ab 100644
--- a/qsymm/groups.py
+++ b/qsymm/groups.py
@@ -13,7 +13,6 @@ import sympy
from sympy.matrices.matrices import MatrixBase
from .linalg import prop_to_id, _inv_int, allclose
-from .model import Model
from .kwant_continuum import sympify
@@ -755,7 +754,7 @@ def cubic(tr=True, ph=True, generators=False, spin=None):
raise ValueError('If `ph` is True, `spin` may not be provided, as it is not '
'possible to deduce the unitary representation of particle-hole symmetry '
'from spin alone. In this case construct the particle-hole operator manually.')
- I = inversion(3, U=(None if spin is None else spin_rotation(np.zeros(3), spin)))
+ I = inversion(3, U=(None if spin is None else spin_rotation(np.zeros(3), spin))) # Noqa: E741
C4 = rotation(1/4, [1, 0, 0], spin=spin)
C3 = rotation(1/3, [1, 1, 1], spin=spin)
cubic_gens = {I, C4, C3}
@@ -829,7 +828,7 @@ def hexagonal(dim=2, tr=True, ph=True, generators=False, sympy_R=True, spin=None
C6 = rotation(1/6, spin=spin)
gens = {Mx, C6}
elif dim == 3:
- I = inversion(3, U=(None if spin is None else spin_rotation(np.zeros(3), spin)))
+ I = inversion(3, U=(None if spin is None else spin_rotation(np.zeros(3), spin))) # Noqa: E741
C2x = rotation(1/2, [1, 0, 0], spin=spin)
if sympy_R:
C6 = PointGroupElement(sympy.ImmutableMatrix(
@@ -1037,7 +1036,7 @@ def pretty_print_cgg(g, latex=False):
L = None
if R is not None and R.shape[0] == 3:
- n = np.array([np.trace(l @ R) for l in L_matrices()]).real
+ n = np.array([np.trace(l @ R) for l in L_matrices()]).real # Noqa: E741
n /= la.norm(n)
n = _round_axis(n)
if latex:
@@ -1195,7 +1194,7 @@ def spin_rotation(n, s, roundint=False):
return U
-def L_matrices(d=3, l=1):
+def L_matrices(d=3, l=1): # Noqa: E741
"""Construct real space rotation generator matrices in d=2 or 3 dimensions.
Can also be used to get angular momentum operators for real atomic orbitals
in 3 dimensions, for p-orbitals use `l=1`, for d-orbitals `l=2`. The basis
diff --git a/qsymm/hamiltonian_generator.py b/qsymm/hamiltonian_generator.py
index 031547698c7f353ede272f80e6db34ba3597e881..ebda7e9e28007254d3cf164dbb8741e08aafe2c2 100644
--- a/qsymm/hamiltonian_generator.py
+++ b/qsymm/hamiltonian_generator.py
@@ -6,7 +6,7 @@ import scipy.linalg as la
from copy import deepcopy
import tinyarray as ta
-from .linalg import matrix_basis, nullspace, sparse_basis, family_to_vectors, rref, allclose
+from .linalg import matrix_basis, nullspace, family_to_vectors, rref, allclose
from .model import Model, BlochModel, BlochCoeff, _commutative_momenta, e, I
from .groups import PointGroupElement, ContinuousGroupGenerator, generate_group
from . import kwant_continuum
@@ -55,7 +55,7 @@ def continuum_hamiltonian(symmetries, dim, total_power, all_powers=None,
all the symmetries by construction.
"""
- if type(total_power) is int:
+ if isinstance(total_power, int):
max_power = total_power
total_power = range(max_power + 1)
@@ -132,11 +132,11 @@ def continuum_pairing(symmetries, dim, total_power, all_powers=None, momenta=_co
satisfies the symmetries specified. Each Model object satisfies
all the symmetries by construction.
"""
- if type(total_power) is int:
+ if isinstance(total_power, int):
max_power = total_power
total_power = range(max_power + 1)
- if not ph_square in (-1, 1):
+ if ph_square not in (-1, 1):
raise ValueError('Particle-hole operator must square to +1 or -1.')
if phases is None:
phases = np.ones(len(symmetries))
@@ -218,13 +218,13 @@ def continuum_variables(dim, total_power, all_powers=None, momenta=_commutative_
all_powers = all_powers[:dim]
for i, power in enumerate(all_powers):
- if type(power) is int:
+ if isinstance(power, int):
all_powers[i] = range(power + 1)
if dim == 0:
return [kwant_continuum.sympify(1)]
- if all([type(i) is int for i in momenta]):
+ if all(isinstance(i, int) for i in momenta):
momenta = [_commutative_momenta[i] for i in momenta]
else:
momenta = [kwant_continuum.make_commutative(k, k)
diff --git a/qsymm/kwant_linalg_lll.py b/qsymm/kwant_linalg_lll.py
index 0d81ddf2d14451486d2c7970ce0aef83420bb3cc..2f10c1e345a2ad3ce255374cfd493d427b92efb8 100644
--- a/qsymm/kwant_linalg_lll.py
+++ b/qsymm/kwant_linalg_lll.py
@@ -206,7 +206,7 @@ def cvp(vec, basis, n=1, group_by_length=False, rtol=1e-09):
# size as the diameter of the largest sphere inside.
rad = 0.5 / np.sqrt(np.max(np.diag(la.inv(bbt))))
- l = 1
+ l = 1 # Noqa: E741
while True:
# Make all the lattice points in and on the edges of a parallelepiped
# of `2*l` size around `center_coords`.
@@ -214,7 +214,7 @@ def cvp(vec, basis, n=1, group_by_length=False, rtol=1e-09):
points = points.reshape(basis.shape[0], -1).T
# If there are less than `n` points, make more.
if len(points) < n:
- l += 1
+ l += 1 # Noqa: E741
continue
point_coords = points @ basis
point_coords = point_coords - vec.T
@@ -227,7 +227,7 @@ def cvp(vec, basis, n=1, group_by_length=False, rtol=1e-09):
group_boundaries = np.where(np.diff(distances) > rtol * rad)[0]
if len(group_boundaries) + 1 < n:
# Make more points if there are less than `n` groups.
- l += 1
+ l += 1 # Noqa: E741
continue
elif len(group_boundaries) == n - 1:
# If there are exactly `n` groups, choose largest distance.
@@ -255,7 +255,7 @@ def cvp(vec, basis, n=1, group_by_length=False, rtol=1e-09):
else:
# Otherwise there may be smaller vectors we haven't found,
# increase `l`.
- l += 1
+ l += 1 # Noqa: E741
continue
diff --git a/qsymm/model.py b/qsymm/model.py
index f0d7522c8ed6551870fc92bd25f2e23c425c0441..fdb6b1d4f144faa8eea649aa5280d964e8e15c4b 100644
--- a/qsymm/model.py
+++ b/qsymm/model.py
@@ -717,7 +717,8 @@ class Model(UserDict):
if self.data == {}:
return result
# Write it explicitely so it works with sparse arrays
- norm = lambda mat: np.sqrt(np.sum(np.abs(mat)**2))
+ def norm(mat):
+ return np.sqrt(np.sum(np.abs(mat)**2))
max_norm = np.max([norm(val) for val in self.values()])
tol = max(atol, max_norm * rtol)
result.data = {key: copy(val) for key, val in self.items() if not norm(val) < tol}
diff --git a/qsymm/symmetry_finder.py b/qsymm/symmetry_finder.py
index 8e3a0e2b8e6700e43799c7d952ccc7c60bfee7d5..3dfc11e8782e40f8a05d8b11a2d92c80ee887628 100644
--- a/qsymm/symmetry_finder.py
+++ b/qsymm/symmetry_finder.py
@@ -9,13 +9,13 @@ import scipy.sparse
from .linalg import matrix_basis, nullspace, split_list, simult_diag, commutator, \
prop_to_id, sparse_basis, mtm, family_to_vectors, solve_mat_eqn, \
allclose
-from .model import Model, BlochModel, BlochCoeff
+from .model import BlochModel, BlochCoeff
from .groups import PointGroupElement, ContinuousGroupGenerator, generate_group, \
- set_multiply, L_matrices, spin_rotation, time_reversal, \
+ set_multiply, time_reversal, \
particle_hole, chiral, inversion, rotation, mirror, PrettyList
from . import kwant_continuum
-from .kwant_linalg_lll import lll, cvp, voronoi
+from .kwant_linalg_lll import lll, voronoi
### Top level function for symmetry finding
@@ -351,7 +351,7 @@ def conserved_quantities(Ps, prettify=False, num_digits=3):
# First block does not have identity, so the identity is not
# among the conserved quantities
bas = matrix_basis(P.shape[0], traceless=(i==0))
- for l in bas:
+ for l in bas: # Noqa: E741
# construct conserved L that acts with l on all the subblocks
# of the original space at the same time (sum over j)
# 'aij,ab,bkj->ik'
@@ -692,7 +692,8 @@ def continuous_symmetries(model, Ps=None, prettify=True, num_digits=8, sparse_li
if dim <= 1:
# There is no continuous rotation in 0 and 1 D
return []
- Rs = lambda: matrix_basis(dim, antihermitian=True, real=True)
+ def Rs():
+ return matrix_basis(dim, antihermitian=True, real=True)
# length of Rs
NR = dim * (dim - 1) / 2
blockdims = [list(rham.values())[0].shape[0] for rham in reduced_hamiltonians]
@@ -745,7 +746,7 @@ def continuous_symmetries(model, Ps=None, prettify=True, num_digits=8, sparse_li
if blockdims[i] > 1:
Ls = matrix_basis(blockdims[i], traceless=True)
blockind = int(NR + np.sum([d**2-1 for d in blockdims[:i]]))
- l = sum(l * v[blockind + j] for j, l in enumerate(Ls))
+ l = sum(l * v[blockind + j] for j, l in enumerate(Ls)) # Noqa: E741
L += np.einsum('aij,jl,akl->ik', Ps[i], l, Ps[i].conj())
g = ContinuousGroupGenerator(R, L)
symmetries.append(g)
diff --git a/qsymm/tests/test_groups.py b/qsymm/tests/test_groups.py
index 55032f986d9ac8d8a6f29d169820833f6ca53553..427ef4dbaef9c80f48a46be0bd32997247e3476f 100644
--- a/qsymm/tests/test_groups.py
+++ b/qsymm/tests/test_groups.py
@@ -1,9 +1,8 @@
import pytest
-import sympy
import numpy as np
import tinyarray as ta
-from ..groups import PointGroupElement, Model, time_reversal, chiral, rotation
+from ..groups import PointGroupElement
@pytest.mark.parametrize(
diff --git a/qsymm/tests/test_hamiltonian_generator.py b/qsymm/tests/test_hamiltonian_generator.py
index ac1503fb615b94621510fab3ae766336288c7e1a..3563fd58322a1d714e1158f3fc91f7ddd0427c86 100644
--- a/qsymm/tests/test_hamiltonian_generator.py
+++ b/qsymm/tests/test_hamiltonian_generator.py
@@ -1,4 +1,3 @@
-import pytest
import sympy
import numpy as np
import scipy.linalg as la
@@ -7,7 +6,7 @@ from .. import kwant_rmt
from ..hamiltonian_generator import continuum_hamiltonian, check_symmetry, \
bloch_family, make_basis_pretty, constrain_family, continuum_variables, \
continuum_pairing, remove_duplicates, subtract_family, display_family
-from ..groups import PointGroupElement, Model, time_reversal, chiral, rotation
+from ..groups import PointGroupElement, time_reversal, chiral, rotation
from ..model import _commutative_momenta, Model, BlochModel
from ..linalg import nullspace, family_to_vectors
diff --git a/qsymm/tests/test_model.py b/qsymm/tests/test_model.py
index a58e4130d12c1fcace7e7da6d3fd8121d33760b3..61875e57619605f0d58b146b4ed570431d78e7f1 100644
--- a/qsymm/tests/test_model.py
+++ b/qsymm/tests/test_model.py
@@ -1,5 +1,3 @@
-import pytest
-import warnings
import sympy
from sympy.core.numbers import One
from scipy.sparse import csr_matrix
diff --git a/qsymm/tests/test_mutual.py b/qsymm/tests/test_mutual.py
index 5e42ea23ded4e2a6542b321c1da7f9b6d7f6b169..76402255e4ef4689f4399c562636cd07239c6c50 100644
--- a/qsymm/tests/test_mutual.py
+++ b/qsymm/tests/test_mutual.py
@@ -1,4 +1,3 @@
-import pytest
import numpy as np
import scipy.linalg as la
from copy import deepcopy
@@ -71,7 +70,7 @@ def test_mutual_continuum():
# More realistic symmetry action
TR = PointGroupElement(np.eye(dim), True, False, np.kron(sigma[1], np.eye(2)))
PH = PointGroupElement(np.eye(dim), True, True, np.kron(np.eye(2), sigma[2]))
- I = PointGroupElement(-np.eye(dim), False, False, np.eye(4))
+ I = PointGroupElement(-np.eye(dim), False, False, np.eye(4)) # Noqa: E741
gens = {TR, PH, I}
group = generate_group(gens)
groupnoU = deepcopy(group)
diff --git a/qsymm/tests/test_symmetry_finder.py b/qsymm/tests/test_symmetry_finder.py
index 36aa2a01ab0d1dd84ce85ed277f8037da0bb58d2..9ee8127b5c9ec0ceae854c191e71e9f266c607ee 100644
--- a/qsymm/tests/test_symmetry_finder.py
+++ b/qsymm/tests/test_symmetry_finder.py
@@ -1,11 +1,15 @@
import itertools as it
-import pytest
import sympy
+import numpy as np
+from scipy import linalg as la
from .. import kwant_rmt
-from ..symmetry_finder import *
-from ..symmetry_finder import _reduced_model, _reduce_hamiltonian, bravais_point_group
-from ..linalg import *
+from ..symmetry_finder import discrete_symmetries, symmetry_adapted_sun, solve_mat_eqn,\
+ time_reversal, particle_hole, chiral, generate_group, continuous_symmetries,\
+ _reduce_hamiltonian, bravais_point_group
+from ..model import Model
+from ..groups import PointGroupElement
+from ..linalg import mtm, simult_diag
from .. import kwant_continuum
sigma = np.array([[[1, 0], [0, 1]], [[0, 1], [ 1, 0]], [[0, -1j], [1j, 0]], [[1, 0], [0, -1]]])
@@ -455,8 +459,7 @@ def test_continuum():
# Cubic point group
eye = np.array(np.eye(3), int)
- E = PointGroupElement(eye, False, False, None)
- I = PointGroupElement(-eye, False, False, None)
+ I = PointGroupElement(-eye, False, False, None) # Noqa: E741
C4 = PointGroupElement(np.array([[1, 0, 0],
[0, 0, 1],
[0, -1, 0]], int), False, False, None)
@@ -524,7 +527,6 @@ def test_bloch():
# Simple tests for Bloch models
# Hexagonal point group
- eyesym = sympy.ImmutableMatrix(sympy.eye(2))
Mx = PointGroupElement(sympy.ImmutableMatrix([[-1, 0],
[0, 1]]),
False, False, None)
diff --git a/qsymm/tests/test_util.py b/qsymm/tests/test_util.py
index 87b1ef1f02d4a6d36c9d3952d4e68ddccfc23792..b8340a9f625e956cd19674fc74bf8a8e4716d61e 100644
--- a/qsymm/tests/test_util.py
+++ b/qsymm/tests/test_util.py
@@ -1,12 +1,11 @@
import pytest
-import warnings
import sympy
import itertools
import numpy as np
import scipy.linalg as la
from pytest import raises
-from ..linalg import matrix_basis, sparse_basis
+from ..linalg import sparse_basis
from ..groups import PointGroupElement
@@ -49,4 +48,4 @@ def test_spatial_types():
assert C6s == C6f
# Mixing sympy with other types raises an error
with raises(ValueError):
- S = C6s * C6f
+ C6s * C6f