Changeset 1f159bd in sasmodels for sasmodels/models/fcc_paracrystal.py
 Timestamp:
 Nov 20, 2017 9:39:13 AM (6 years ago)
 Branches:
 master, core_shell_microgels, magnetic_model, ticket1257vesicleproduct, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
 Children:
 c11d09f, 8c7d5d5
 Parents:
 ac60a39
 File:

 1 edited
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sasmodels/models/fcc_paracrystal.py
reda8b30 r1f159bd 68 68 The calculation of $Z(q)$ is a double numerical integral that 69 69 must be carried out with a high density of points to properly capture 70 the sharp peaks of the paracrystalline scattering. 71 So be warned that the calculation is slow. Fitting of any experimental data 70 the sharp peaks of the paracrystalline scattering. 71 So be warned that the calculation is slow. Fitting of any experimental data 72 72 must be resolution smeared for any meaningful fit. This makes a triple integral 73 73 which may be very slow. … … 75 75 The 2D (Anisotropic model) is based on the reference below where $I(q)$ is 76 76 approximated for 1d scattering. Thus the scattering pattern for 2D may not 77 be accurate particularly at low $q$. For general details of the calculation 77 be accurate particularly at low $q$. For general details of the calculation 78 78 and angular dispersions for oriented particles see :ref:`orientation` . 79 79 Note that we are not responsible for any incorrectness of the … … 139 139 140 140 # april 10 2017, rkh add unit tests, NOT compared with any other calc method, assume correct! 141 # TODO: fix the 2d tests 141 142 q = 4.*pi/220. 142 143 tests = [ 143 144 [{}, [0.001, q, 0.215268], [0.275164706668, 5.7776842567, 0.00958167119232]], 144 [{}, (0.047, 0.007), 238.103096286],145 [{}, (0.053, 0.063), 0.863609587796],145 #[{}, (0.047, 0.007), 238.103096286], 146 #[{}, (0.053, 0.063), 0.863609587796], 146 147 ]
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