import numpy as np from numpy import exp, sin, degrees, radians, pi, sqrt from sasmodels.weights import Dispersion as BaseDispersion class Dispersion(BaseDispersion): r""" Maier-Saupe dispersion on orientation (equal weights). .. math: w(\theta) = e^{a{\cos^2 \theta}} This provides a close match to the gaussian distribution for low angles, but the tails are limited to $\pm 90^\circ$. For $a \ll 1$ the distribution is approximately uniform. The usual polar coordinate projection applies, with $\theta$ weights scaled by $\cos \theta$ and $\phi$ weights unscaled. This is equivalent to a cyclic gaussian distribution $w(\theta) = e^{-sin^2(\theta)/(2\sigma^2)}. The $\theta$ points are spaced such that each interval has an equal contribution to the distribution. This works surprisingly poorly. Try:: $ sascomp cylinder -2d theta=45 phi=20 phi_pd_type=maier_saupe_eq \ phi_pd_n=100,1000 radius=50 length=2*radius -midq phi_pd=5 Leaving it here for others to improve. """ type = "maier_saupe_eq" default = dict(npts=35, width=1, nsigmas=None) # Note: center is always zero for orientation distributions def _weights(self, center, sigma, lb, ub): # use the width parameter as the value for Maier-Saupe "a" a = sigma sigma = 1./sqrt(2.*a) # Create a lookup table for finding n points equally spaced # in the cumulative density function. # Limit width to +/-90 degrees. width = min(self.nsigmas*sigma, pi/2) xp = np.linspace(-width, width, max(self.npts*10, 100)) # Compute CDF. Since we normalized the sum of the weights to 1, # we can scale by an arbitrary scale factor c = exp(m) to get: # w = exp(m*cos(x)**2)/c = exp(-m*sin(x)**2) yp = np.cumsum(exp(-a*sin(xp)**2)) yp /= yp[-1] # Find the mid-points of the equal-weighted intervals in the CDF y = np.linspace(0, 1, self.npts+2)[1:-1] x = np.interp(y, yp, xp) wx = np.ones(self.npts) # Truncate the distribution in case the parameter value is limited index = (x >= lb) & (x <= ub) x, wx = x[index], wx[index] return degrees(x), wx