update python scripts

Author: mlund

examples/notebook/notebook.ipynb renamed to examples/notebook/interpolation-error.ipynb

@@ -4,9 +4,9 @@
 from math import ceil
 
 exact = True
-angle_res = 0.005 # radians
+angle_res = 0.005  # radians
 
-x, y, pot_interpolated, pot_exact, err = np.loadtxt('pot_at_angles.dat', unpack=True)
+x, y, pot_interpolated, pot_exact, err = np.loadtxt("pot_at_angles.dat", unpack=True)
 if exact:
     pot = pot_exact
 else:
@@ -19,18 +19,22 @@
 ngridy = ceil((y.max() - y.min()) / angle_res)
 xi = np.linspace(x.min(), x.max(), ngridx)
 yi = np.linspace(y.min(), y.max(), ngridy)
-zi = griddata((x, y), pot, (xi[None,:], yi[:,None]), method='linear')
-plt.contourf(xi, yi, zi, 20, cmap = plt.cm.RdBu)
+zi = griddata((x, y), pot, (xi[None, :], yi[:, None]), method="linear")
+plt.contourf(xi, yi, zi, 20, cmap=plt.cm.RdBu)
 
 # Overlay exact potential from each vertex (colored circles)
-x, y, z, theta, phi, pot = np.loadtxt('pot_at_vertices.dat', unpack=True)
-plt.scatter(theta, phi, c=pot, cmap=plt.cm.RdBu, s=15, marker='o', edgecolor='k', linewidths=0.1)
-plt.colorbar() # draw colorbar
+x, y, z, theta, phi, pot = np.loadtxt("pot_at_vertices.dat", unpack=True)
+plt.scatter(
+    theta, phi, c=pot, cmap=plt.cm.RdBu, s=15, marker="o", edgecolor="k", linewidths=0.1
+)
+plt.colorbar()  # draw colorbar
 plt.clim(-maxpot, maxpot)
-plt.ylim(0.0, 2.0*np.pi)
+plt.ylim(0.0, 2.0 * np.pi)
 plt.xlim(0.0, np.pi)
 plt.xlabel(r"Polar angle, $\theta$")
 plt.ylabel(r"Azimuthal angle, $\phi$")
-plt.title("Electric potential around a patchy particle:\n(Circles = ref. points on subdivided icosahedron)", fontsize=12)
-plt.savefig('potential.pdf')
-
+plt.title(
+    "Electric potential around a patchy particle:\n(Circles = ref. points on subdivided icosahedron)",
+    fontsize=12,
+)
+plt.savefig("potential.pdf")