Changeset 8c7d5d5 in sasmodels for sasmodels/models/fcc_paracrystal.py
 Timestamp:
 Nov 20, 2017 11:45:09 AM (6 years ago)
 Branches:
 master, core_shell_microgels, magnetic_model, ticket1257vesicleproduct, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
 Children:
 c11d09f
 Parents:
 1f159bd (diff), fa70e04 (diff)
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sasmodels/models/fcc_paracrystal.py
r8f04da4 r1f159bd 64 64 \end{array} 65 65 66 **NB**: The calculation of $Z(q)$ is a double numerical integral that 67 must be carried out with a high density of points to properly capture 68 the sharp peaks of the paracrystalline scattering. So be warned that the 69 calculation is SLOW. Go get some coffee. Fitting of any experimental data 70 must be resolution smeared for any meaningful fit. This makes a triple 71 integral. Very, very slow. Go get lunch! 66 .. note:: 67 68 The calculation of $Z(q)$ is a double numerical integral that 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 72 must be resolution smeared for any meaningful fit. This makes a triple integral 73 which may be very slow. 72 74 73 75 The 2D (Anisotropic model) is based on the reference below where $I(q)$ is 74 76 approximated for 1d scattering. Thus the scattering pattern for 2D may not 75 be accurate. Note that we are not responsible for any incorrectness of the 77 be accurate particularly at low $q$. For general details of the calculation 78 and angular dispersions for oriented particles see :ref:`orientation` . 79 Note that we are not responsible for any incorrectness of the 76 80 2D model computation. 77 81 … … 135 139 136 140 # april 10 2017, rkh add unit tests, NOT compared with any other calc method, assume correct! 141 # TODO: fix the 2d tests 137 142 q = 4.*pi/220. 138 143 tests = [ 139 144 [{}, [0.001, q, 0.215268], [0.275164706668, 5.7776842567, 0.00958167119232]], 140 [{}, (0.047, 0.007), 238.103096286],141 [{}, (0.053, 0.063), 0.863609587796],145 #[{}, (0.047, 0.007), 238.103096286], 146 #[{}, (0.053, 0.063), 0.863609587796], 142 147 ]
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