From 19a907f7d42fec227cdf96a5ed57c82009fc6af7 Mon Sep 17 00:00:00 2001 From: Rocco Meli Date: Thu, 28 Nov 2024 14:36:10 +0100 Subject: [PATCH] small test change --- .../MDAnalysisTests/transformations/test_rotate.py | 14 +++++--------- 1 file changed, 5 insertions(+), 9 deletions(-) diff --git a/testsuite/MDAnalysisTests/transformations/test_rotate.py b/testsuite/MDAnalysisTests/transformations/test_rotate.py index cf28bdfd08..cc9ab0a492 100644 --- a/testsuite/MDAnalysisTests/transformations/test_rotate.py +++ b/testsuite/MDAnalysisTests/transformations/test_rotate.py @@ -21,13 +21,13 @@ # J. Comput. Chem. 32 (2011), 2319--2327, doi:10.1002/jcc.21787 # +import MDAnalysis as mda import numpy as np import pytest +from MDAnalysis.lib.transformations import rotation_matrix +from MDAnalysis.transformations import rotateby from numpy.testing import assert_array_almost_equal -import MDAnalysis as mda -from MDAnalysis.transformations import rotateby -from MDAnalysis.lib.transformations import rotation_matrix from MDAnalysisTests import make_Universe @@ -77,9 +77,7 @@ def test_rotateby_custom_point(rotate_universes, point): trans = trans_u.trajectory.ts ref = ref_u.trajectory.ts vector = [1, 0, 0] - pos = point.reshape( - 3, - ) + pos = point.reshape(3) angle = 90 matrix = rotation_matrix(np.deg2rad(angle), vector, pos) ref_u.atoms.transform(matrix) @@ -98,9 +96,7 @@ def test_rotateby_vector(rotate_universes, vector): ref = ref_u.trajectory.ts point = [0, 0, 0] angle = 90 - vec = vector.reshape( - 3, - ) + vec = vector.reshape(3) matrix = rotation_matrix(np.deg2rad(angle), vec, point) ref_u.atoms.transform(matrix) transformed = rotateby(angle, vector, point=point)(trans)