Changes in sasmodels/models/fcc_paracrystal.py [e7e9231:da7b26b] in sasmodels
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sasmodels/models/fcc_paracrystal.py
re7e9231 rda7b26b 3 3 #note - calculation requires double precision 4 4 r""" 5 .. warning:: This model and this model description are under review following 6 concerns raised by SasView users. If you need to use this model, 7 please email help@sasview.org for the latest situation. *The 8 SasView Developers. September 2018.* 9 5 10 Definition 6 11 ---------- … … 10 15 negligible, and the size of the paracrystal is infinitely large. 11 16 Paracrystalline distortion is assumed to be isotropic and characterized by 12 a Gaussian distribution. 17 a Gaussian distribution. 13 18 14 19 The scattering intensity $I(q)$ is calculated as … … 95 100 96 101 Authorship and Verification 97 --------------------------- -102 --------------------------- 98 103 99 104 * **Author:** NIST IGOR/DANSE **Date:** pre 2010 100 * **Last Modified by:** Paul Butler **Date:** September 16, 2018101 * **Last Reviewed by:** Paul Butler **Date:** September 16, 2018105 * **Last Modified by:** Paul Butler **Date:** September 29, 2016 106 * **Last Reviewed by:** Richard Heenan **Date:** March 21, 2016 102 107 """ 103 108 … … 118 123 # pylint: disable=bad-whitespace, line-too-long 119 124 # ["name", "units", default, [lower, upper], "type","description"], 120 parameters = [[" lattice_spacing", "Ang", 220, [-inf, inf], "", "Lattice spacing"],121 [" lattice_distortion", "", 0.06, [-inf, inf], "", "Paracrystal distortion factor"],125 parameters = [["dnn", "Ang", 220, [-inf, inf], "", "Nearest neighbour distance"], 126 ["d_factor", "", 0.06, [-inf, inf], "", "Paracrystal distortion factor"], 122 127 ["radius", "Ang", 40, [0, inf], "volume", "Particle radius"], 123 128 ["sld", "1e-6/Ang^2", 4, [-inf, inf], "sld", "Particle scattering length density"], … … 134 139 # copied from bcc_paracrystal 135 140 radius = 10**np.random.uniform(1.3, 4) 136 lattice_distortion= 10**np.random.uniform(-2, -0.7) # sigma_d in 0.01-0.7137 lattice_spacing_fraction = np.random.beta(a=10, b=1)138 lattice_spacing = radius*4/np.sqrt(2)/lattice_spacing_fraction141 d_factor = 10**np.random.uniform(-2, -0.7) # sigma_d in 0.01-0.7 142 dnn_fraction = np.random.beta(a=10, b=1) 143 dnn = radius*4/np.sqrt(2)/dnn_fraction 139 144 pars = dict( 140 145 #sld=1, sld_solvent=0, scale=1, background=1e-32, 141 latice_spacing=lattice_spacing,142 lattice_distortion=d_factor,146 dnn=dnn, 147 d_factor=d_factor, 143 148 radius=radius, 144 149 )
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