Merge 5675177 into 9562ac8

diffsims/generators/diffraction_generator.py

@@ -21,25 +21,20 @@
 """
 
 import numpy as np
-from math import pi
 from transforms3d.euler import euler2mat
 
 from diffsims.sims.diffraction_simulation import DiffractionSimulation
 from diffsims.sims.diffraction_simulation import ProfileSimulation
 
-from diffsims.utils.atomic_scattering_params import ATOMIC_SCATTERING_PARAMS
 from diffsims.utils.sim_utils import (
     get_electron_wavelength,
     get_kinematical_intensities,
-    get_unique_families,
     get_points_in_sphere,
-    get_vectorized_list_for_atomic_scattering_factors,
     is_lattice_hexagonal,
     get_intensities_params,
-    get_scattering_params_dict,
 )
 from diffsims.utils.fourier_transform import from_recip
-from diffsims.utils.shape_factor_models import linear, binary, sinc
+from diffsims.utils.shape_factor_models import linear
 
 
 class DiffractionGenerator(object):

diffsims/generators/library_generator.py

@@ -19,12 +19,8 @@
 """Diffraction pattern library generator and associated tools.
 """
 
-import itertools
-import math
-
 import numpy as np
 from tqdm import tqdm
-from transforms3d.euler import euler2mat
 
 from diffsims.libraries.diffraction_library import DiffractionLibrary
 from diffsims.libraries.vector_library import DiffractionVectorLibrary

diffsims/generators/rotation_list_generators.py

@@ -21,17 +21,11 @@
 """
 
 import numpy as np
-import warnings
 from itertools import product
 
 from orix.sampling.sample_generators import get_sample_fundamental, get_sample_local
 from orix.quaternion.rotation import Rotation
 from orix.vector.neo_euler import AxAngle
-from orix.vector import Vector3d
-
-from transforms3d.euler import euler2axangle, axangle2euler
-from transforms3d.euler import axangle2euler, euler2axangle, euler2mat
-from transforms3d.quaternions import quat2axangle, axangle2quat, mat2quat, qmult
 
 from diffsims.utils.vector_utils import vectorised_spherical_polars_to_cartesians
 

diffsims/libraries/structure_library.py

@@ -16,8 +16,6 @@
 # You should have received a copy of the GNU General Public License
 # along with diffsims.  If not, see <http://www.gnu.org/licenses/>.
 
-import diffsims as ds
-
 
 class StructureLibrary:
     """

diffsims/libraries/vector_library.py

@@ -17,7 +17,6 @@
 # along with diffsims.  If not, see <http://www.gnu.org/licenses/>.
 
 import pickle
-import numpy as np
 
 
 def load_VectorLibrary(filename, safety=False):

diffsims/sims/diffraction_simulation.py

@@ -20,8 +20,6 @@
 import numpy as np
 from scipy import ndimage as ndi
 
-from diffsims.utils.sim_utils import get_unique_families
-
 
 class DiffractionSimulation:
     """Holds the result of a kinematic diffraction pattern simulation.

diffsims/tests/test_generators/test_diffraction_generator.py

@@ -19,7 +19,6 @@
 import numpy as np
 import pytest
 
-from diffsims.sims.diffraction_simulation import DiffractionSimulation
 from diffsims.sims.diffraction_simulation import ProfileSimulation
 from diffsims.generators.diffraction_generator import (
     DiffractionGenerator,

diffsims/tests/test_generators/test_library_generator.py

@@ -17,7 +17,6 @@
 # along with diffsims.  If not, see <http://www.gnu.org/licenses/>.
 
 import pytest
-import diffpy.structure
 
 from diffsims.generators.diffraction_generator import DiffractionGenerator
 from diffsims.generators.library_generator import DiffractionLibraryGenerator

diffsims/tests/test_library/test_vector_library.py

@@ -19,7 +19,6 @@
 import pytest
 import os
 import numpy as np
-import diffpy.structure
 
 from diffsims.generators.library_generator import (
     VectorLibraryGenerator,

diffsims/tests/test_sims/__init__.py

@@ -0,0 +1,17 @@
+# -*- coding: utf-8 -*-
+# Copyright 2017-2020 The diffsims developers
+#
+# This file is part of diffsims.
+#
+# diffsims is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+#
+# diffsims is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU General Public License for more details.
+#
+# You should have received a copy of the GNU General Public License
+# along with diffsims.  If not, see <http://www.gnu.org/licenses/>.

diffsims/tests/test_sims/test_diffraction_simulation.py

@@ -20,7 +20,6 @@
 import pytest
 from diffsims.sims.diffraction_simulation import DiffractionSimulation
 from diffsims.sims.diffraction_simulation import ProfileSimulation
-from diffsims.generators.diffraction_generator import DiffractionGenerator
 
 
 @pytest.mark.xfail(raises=ValueError)

diffsims/tests/test_utils/__init__.py

@@ -0,0 +1,17 @@
+# -*- coding: utf-8 -*-
+# Copyright 2017-2020 The diffsims developers
+#
+# This file is part of diffsims.
+#
+# diffsims is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+#
+# diffsims is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU General Public License for more details.
+#
+# You should have received a copy of the GNU General Public License
+# along with diffsims.  If not, see <http://www.gnu.org/licenses/>.

diffsims/tests/test_utils/test_sim_utils.py

@@ -19,18 +19,15 @@
 import pytest
 import numpy as np
 import diffpy
-from transforms3d.euler import euler2mat
 
 
 from diffsims.utils.sim_utils import (
     get_electron_wavelength,
     get_interaction_constant,
     get_unique_families,
     get_kinematical_intensities,
-    get_vectorized_list_for_atomic_scattering_factors,
     get_points_in_sphere,
     simulate_kinematic_scattering,
-    is_lattice_hexagonal,
     uvtw_to_uvw,
     get_holz_angle,
     scattering_angle_to_lattice_parameter,
@@ -44,7 +41,6 @@
     diffraction_scattering_angle,
     get_intensities_params,
 )
-from diffsims.tests.test_generators.test_diffraction_generator import make_structure
 
 
 @pytest.mark.parametrize(

diffsims/utils/atomic_diffraction_generator_utils.py

@@ -21,7 +21,7 @@
 """
 
 from diffsims.utils.discretise_utils import get_discretisation
-from numpy import array, pi, sin, cos, empty, maximum, sqrt
+from numpy import array, pi, sin, cos, empty
 from scipy.interpolate import interpn
 from diffsims.utils.fourier_transform import (
     get_DFT,

diffsims/utils/discretise_utils.py

@@ -38,7 +38,6 @@
 )
 from diffsims.utils.generic_utils import get_grid
 from psutil import virtual_memory
-from scipy.special import erf
 import numba
 from .generic_utils import _CUDA, cuda
 

diffsims/utils/kinematic_simulation_utils.py

@@ -24,7 +24,7 @@
 @author: Rob Tovey
 """
 from diffsims.utils.discretise_utils import get_discretisation
-from numpy import array, pi, sin, cos, empty, maximum, sqrt
+from numpy import array, pi, sin, cos, empty
 from scipy.interpolate import interpn
 from diffsims.utils.fourier_transform import (
     get_DFT,

diffsims/utils/sim_utils.py

@@ -23,16 +23,9 @@
 import collections
 import diffpy.structure
 
-from transforms3d.axangles import axangle2mat
-from transforms3d.euler import mat2euler
-from transforms3d.euler import euler2mat
-
 from .atomic_scattering_params import ATOMIC_SCATTERING_PARAMS
 from .lobato_scattering_params import ATOMIC_SCATTERING_PARAMS_LOBATO
 
-# from diffsims.sims.diffraction_simulation import DiffractionSimulation
-from diffsims.utils.vector_utils import get_angle_cartesian
-
 
 def get_electron_wavelength(accelerating_voltage):
     """Calculates the (relativistic) electron wavelength in Angstroms for a

diffsims/utils/vector_utils.py

@@ -19,8 +19,6 @@
 import numpy as np
 import math
 
-from transforms3d.axangles import axangle2mat
-
 
 def get_angle_cartesian_vec(a, b):
     """Compute the angles between two lists of vectors in a cartesian