Changes in sasmodels/models/bcc_paracrystal.py [e7e9231:da7b26b] in sasmodels
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sasmodels/models/bcc_paracrystal.py
re7e9231 rda7b26b 1 1 r""" 2 .. warning:: This model and this model description are under review following 3 concerns raised by SasView users. If you need to use this model, 4 please email help@sasview.org for the latest situation. *The 5 SasView Developers. September 2018.* 6 2 7 Definition 3 8 ---------- … … 13 18 14 19 I(q) = \frac{\text{scale}}{V_p} V_\text{lattice} P(q) Z(q) 15 16 20 17 21 where *scale* is the volume fraction of spheres, $V_p$ is the volume of the … … 30 34 .. math:: 31 35 32 V_\text{lattice} = \frac{ 8\pi}{3} \frac{R^3}{\left(2D/\sqrt{3}\right)^3}36 V_\text{lattice} = \frac{16\pi}{3} \frac{R^3}{\left(D\sqrt{2}\right)^3} 33 37 34 38 … … 97 101 98 102 Authorship and Verification 99 --------------------------- -103 --------------------------- 100 104 101 105 * **Author:** NIST IGOR/DANSE **Date:** pre 2010 102 * **Last Modified by:** Paul Butler **Date:** September 16, 2018103 * **Last Reviewed by:** Paul Butler **Date:** September 16, 2018106 * **Last Modified by:** Paul Butler **Date:** September 29, 2016 107 * **Last Reviewed by:** Richard Heenan **Date:** March 21, 2016 104 108 """ 105 109 … … 123 127 # pylint: disable=bad-whitespace, line-too-long 124 128 # ["name", "units", default, [lower, upper], "type","description" ], 125 parameters = [[" lattice_spacing", "Ang", 220, [-inf, inf], "", "Lattice spacing"],126 [" lattice_distortion", "", 0.06, [-inf, inf], "", "Paracrystal distortion factor"],129 parameters = [["dnn", "Ang", 220, [-inf, inf], "", "Nearest neighbour distance"], 130 ["d_factor", "", 0.06, [-inf, inf], "", "Paracrystal distortion factor"], 127 131 ["radius", "Ang", 40, [0, inf], "volume", "Particle radius"], 128 132 ["sld", "1e-6/Ang^2", 4, [-inf, inf], "sld", "Particle scattering length density"], … … 145 149 # in this range 'cuz its easy. 146 150 radius = 10**np.random.uniform(1.3, 4) 147 lattice_distortion= 10**np.random.uniform(-2, -0.7) # sigma_d in 0.01-0.7148 lattice_spacing_fraction = np.random.beta(a=10, b=1)149 lattice_spacing = radius*4/np.sqrt(3)/lattice_spacing_fraction151 d_factor = 10**np.random.uniform(-2, -0.7) # sigma_d in 0.01-0.7 152 dnn_fraction = np.random.beta(a=10, b=1) 153 dnn = radius*4/np.sqrt(3)/dnn_fraction 150 154 pars = dict( 151 155 #sld=1, sld_solvent=0, scale=1, background=1e-32, 152 lattice_spacing=lattice_spacing,153 lattice_distortion=lattice_distortion,156 dnn=dnn, 157 d_factor=d_factor, 154 158 radius=radius, 155 159 )
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