Changeset 09ebe8c in sasmodels


Ignore:
Timestamp:
Jan 27, 2016 3:55:41 PM (8 years ago)
Author:
Paul Kienzle <pkienzle@…>
Branches:
master, core_shell_microgels, costrafo411, magnetic_model, release_v0.94, release_v0.95, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
Children:
384d114
Parents:
fdc538a
Message:

doc and delint

File:
1 edited

Legend:

Unmodified
Added
Removed
  • sasmodels/sesans.py

    r3c56da87 r09ebe8c  
    1212import numpy as np 
    1313from numpy import pi, exp 
    14  
    1514from scipy.special import jv as besselj 
    1615 
    17 def make_q(q_zmax, Rmax): 
     16def make_q(q_max, Rmax): 
     17    """ 
     18    Return a $q$ vector suitable for SESANS covering from $2\pi/ (10 R_{\max})$ 
     19    to $q_max$. 
     20    """ 
    1821    q_min = dq = 0.1 * 2*pi / Rmax 
    19     #q_min = 0.00003 
    20     return np.arange(q_min, q_zmax, dq) 
    21  
    22 # TODO: dead code; for now the call to the hankel transform happens in BumpsModel 
    23 class SesansCalculator: 
    24     def __init__(self, kernel, q_zmax, Rmax, SElength, wavelength, thickness): 
    25         self._set_kernel(kernel, q_zmax, Rmax) 
    26         self.SElength = SElength 
    27         self.wavelength = wavelength 
    28         self.thickness = thickness 
    29  
    30     def _set_kernel(self, kernel, q_zmax, Rmax): 
    31         kernel_input = kernel.make_input([make_q(q_zmax, Rmax)]) 
    32         self.sans_calculator = kernel(kernel_input) 
    33  
    34     def __call__(self, pars, pd_pars, cutoff=1e-5): 
    35         Iq = self.sans_calculator(pars, pd_pars, cutoff) 
    36         P = hankel(self.SElength, self.wavelength, self.thickness, self.q, Iq) 
    37         self.Iq = Iq 
    38         return P 
     22    return np.arange(q_min, q_max, dq) 
    3923 
    4024def hankel(SElength, wavelength, thickness, q, Iq): 
     
    6044    G = np.zeros(len(SElength), 'd') 
    6145    for i in range(len(SElength)): 
    62         integr = besselj(0,q*SElength[i])*Iq*q 
     46        integr = besselj(0, q*SElength[i])*Iq*q 
    6347        G[i] = np.sum(integr) 
    6448    dq=(q[1]-q[0])*1e10   # [m^-1] step size in q, needed for integration 
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