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from unittest import TestCase
from shelxfile.fit.quatfit import matrix_minus_vect, matrix_plus_vect, transpose, centroid
class Test(TestCase):
def test_matrix_minus_vect(self):
source = [[-0.01453, 1.6659, 0.10966], [-0.00146, 0.26814, 0.06351], [-0.27813, -0.21605, 1.52795]]
cent = [-0.09804, 0.57266333, 0.56704]
self.assertEqual([[0.08351, 1.09323667, -0.45738], [0.09658, -0.30452333000000004, -0.50353],
[-0.18008999999999997, -0.78871333, 0.9609099999999999]], matrix_minus_vect(source, cent))
self.assertEqual([[0, 0, 0], [1, 1, 1], [2, 2, 2]],
matrix_minus_vect([[1, 1, 1], [2, 2, 2], [3, 3, 3]], [1, 1, 1]))
def test_matrix_plus_vect(self):
source = [[-0.01453, 1.6659, 0.10966], [-0.00146, 0.26814, 0.06351], [-0.27813, -0.21605, 1.52795]]
cent = [-0.09804, 0.57266333, 0.56704]
self.assertEqual([[-0.11257, 2.23856333, 0.6767], [-0.0995, 0.84080333, 0.6305499999999999],
[-0.37617, 0.35661333000000006, 2.09499]], matrix_plus_vect(source, cent))
self.assertEqual([[2, 2, 2], [3, 3, 3], [4, 4, 4]],
matrix_plus_vect([[1, 1, 1], [2, 2, 2], [3, 3, 3]], [1, 1, 1]))
def test_transpose(self):
m = [[1, 2, 3], [1, 2, 3], [1, 2, 3]]
self.assertEqual([(1, 1, 1), (2, 2, 2), (3, 3, 3)], transpose(m))
def test_centroid(self):
self.assertEqual((-0.09804, 0.5726633333333333, 0.56704), centroid(
[[-1.45300e-02, 1.66590e+00, 1.09660e-01], [-1.46000e-03, 2.68140e-01, 6.35100e-02],
[-2.78130e-01, -2.16050e-01, 1.52795e+00]]))
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