示例#1
0
def plot_random_rdf():
    """
    Will plot an rdf distribution against the radius for some random numbers.
    """
    rand_coords = np.random.random((6000, 3))

    r, rdf = RDF.calc_RDF(rand_coords)

    plt.plot(r, rdf)
    plt.title("g(r) of random points")
    plt.xlabel("R")
    plt.ylabel("g(R)")
    plt.show()
示例#2
0
def plot_ordered_rdf():
    """
    Will plot the rdf of structured data.
    """
    x, y, z = np.arange(0, 10, 1), np.arange(0, 10, 1), np.arange(0, 10, 1)
    crds = np.meshgrid(x, y, z)
    crds = [[crds[xyz][i, j, k] for xyz in range(len(crds))]
            for i in range(len(y)) for j in range(len(x))
            for k in range(len(z))]
    crds = np.array(crds)

    r, rdf = RDF.calc_RDF(crds)

    plt.plot(r, rdf)
    plt.title("g(r) of points arranged in a grid")
    plt.xlabel("R")
    plt.ylabel("g(R)")
    plt.show()