Changeset 2d81cfe in sasmodels for sasmodels/models/sc_paracrystal.py
- Timestamp:
- Nov 29, 2017 11:13:23 AM (6 years ago)
- Branches:
- master, core_shell_microgels, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
- Children:
- 237b800f
- Parents:
- a839b22
- File:
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- 1 edited
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sasmodels/models/sc_paracrystal.py
reda8b30 r2d81cfe 23 23 equations (13)-(15) from the 1987 paper for Z1, Z2, and Z3. 24 24 25 The lattice correction (the occupied volume of the lattice) for a simple 26 cubicstructure of particles of radius *R* and nearest neighbor separation *D* is25 The lattice correction (the occupied volume of the lattice) for a simple cubic 26 structure of particles of radius *R* and nearest neighbor separation *D* is 27 27 28 28 .. math:: … … 73 73 carried out with a high density of points to properly capture the sharp 74 74 peaks of the paracrystalline scattering. 75 So be warned that the calculation is slow. Fitting of any experimental data 76 must be resolution smeared for any meaningful fit. This makes a triple integral77 which may be very slow.75 So be warned that the calculation is slow. Fitting of any experimental data 76 must be resolution smeared for any meaningful fit. This makes a triple 77 integral which may be very slow. 78 78 79 79 The 2D (Anisotropic model) is based on the reference below where *I(q)* is 80 80 approximated for 1d scattering. Thus the scattering pattern for 2D may not 81 be accurate particularly at low $q$. For general details of the calculation 81 be accurate particularly at low $q$. For general details of the calculation 82 82 and angular dispersions for oriented particles see :ref:`orientation` . 83 83 Note that we are not responsible for any incorrectness of the … … 96 96 Hideki Matsuoka et. al. *Physical Review B,* 41 (1990) 3854 -3856 97 97 (Corrections to FCC and BCC lattice structure calculation) 98 99 98 """ 100 99 100 import numpy as np 101 101 from numpy import inf 102 102 … … 140 140 141 141 def random(): 142 import numpy as np143 142 # copied from bcc_paracrystal 144 143 radius = 10**np.random.uniform(1.3, 4)
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