def test_gw_01(self):
a = np.ones(shape=[4, 4]) + 3 * np.eye(4)
a[0, 0] = 100
a[3, 3] = 25
a[0, 3] = 16
r = Utils.normalize_overlap_matrix(a)
e = np.matrix([[1., 0.05, 0.05, 0.32],
[0.05, 1., 0.25, 0.1],
[0.05, 0.25, 1., 0.1],
[0.02, 0.1, 0.1, 1.]])
np.testing.assert_array_almost_equal(r, e)
def test_bw_02(self):
"""Verify that an error is raised if the overlap matrix is not square."""
with self.assertRaisesRegex(AssertionError, 'square'):
a = np.matrix(np.arange(1, 5))
Utils.normalize_overlap_matrix(a)
def test_bw_01(self):
"""Verify that an error is raised if there is a zero on the diagonal"""
with self.assertRaisesRegex(AssertionError, 'diagonal'):
a = np.reshape(np.arange(16), [4, 4])
Utils.normalize_overlap_matrix(a)
