Beispiel #1
0
def expected_sq_displacement(trj: TrajaDataFrame,
                             n: int = 0,
                             eqn1: bool = True) -> float:
    """Expected displacement.

    .. note::

        This method is experimental and needs testing.

    """
    sl = traja.step_lengths(trj)
    ta = traja.angles(trj)
    l = np.mean(sl)
    l2 = np.mean(sl**2)
    c = np.mean(np.cos(ta))
    s = np.mean(np.sin(ta))
    s2 = s**2

    if eqn1:
        # Eqn 1
        alpha = np.arctan2(s, c)
        gamma = ((1 - c)**2 - s2) * np.cos(
            (n + 1) * alpha) - 2 * s * (1 - c) * np.sin((n + 1) * alpha)
        esd = (n * l2 + 2 * l**2 * ((c - c**2 - s2) * n - c) /
               ((1 - c)**2 + s2) + 2 * l**2 * ((2 * s2 +
                                                (c + s2)**((n + 1) / 2)) /
                                               ((1 - c)**2 + s2)**2) * gamma)
        return abs(esd)
    else:
        logger.info("This method is experimental and requires testing.")
        # Eqn 2
        esd = n * l2 + 2 * l**2 * c / (1 - c) * (n - (1 - c**n) / (1 - c))
        return esd
Beispiel #2
0
def test_step_lengths():
    df_copy = df.copy()
    step_lengths = traja.step_lengths(df_copy)
    actual = step_lengths.to_numpy()[:5]
    expected = np.array(
        [np.nan, 1.829_180_85, 1.489_402_04, 2.130_723_72, 2.172_887_24])
    npt.assert_allclose(actual, expected)
    assert len(step_lengths == len(df_copy))