Changeset a34b811 in sasmodels for sasmodels/models/sphere.py
- Timestamp:
- Mar 28, 2019 5:02:53 PM (5 years ago)
- Branches:
- master, ticket-1257-vesicle-product, ticket_1156, ticket_822_more_unit_tests
- Children:
- db1d9d5
- Parents:
- e5cb3df
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
sasmodels/models/sphere.py
r6140894 ra34b811 81 81 source = ["lib/sas_3j1x_x.c", "sphere.c"] 82 82 have_Fq = True 83 effective_radius_type= ["radius"]83 radius_effective_modes = ["radius"] 84 84 85 85 def random(): … … 99 99 0.2, 792.0646662454202, 1166737.0473152, 120.0, 7246723.820358589, 1.0], # the longer list here checks F1, F2, R_eff, volume, volume_ratio = call_Fq(kernel, pars) 100 100 # But note P(Q) = F2/volume 101 # F and F^2 are "unscaled", with for n <F F*>S(q) or for beta approx I(q) = n [<F F*> + <F><F*> (S(q) - 1)] 102 # for n the number density and <.> the orientation average, and F = integral rho(r) exp(i q . r) dr. 103 # The number density is volume fraction divided by particle volume. 101 # F and F^2 are "unscaled", with for n <F F*>S(q) or for beta approx I(q) = n [<F F*> + <F><F*> (S(q) - 1)] 102 # for n the number density and <.> the orientation average, and F = integral rho(r) exp(i q . r) dr. 103 # The number density is volume fraction divided by particle volume. 104 104 # Effectively, this leaves F = V drho form, where form is the usual 3 j1(qr)/(qr) or whatever depending on the shape. 105 105 # [{"@S": "hardsphere"}, … … 124 124 "structure_factor_mode": 1, # 0 = normal decoupling approximation, 1 = beta(Q) approx 125 125 "radius_effective_mode": 0 # this used r_eff =0 or default 50? 126 }, 0.01, 1324.7375636587356 ], 126 }, 0.01, 1324.7375636587356 ], 127 127 [{"@S": "hardsphere", 128 128 "radius": 120., "radius_pd": 0.2, "radius_pd_n":45, … … 131 131 "structure_factor_mode": 1, # 0 = normal decoupling approximation, 1 = beta(Q) approx 132 132 "radius_effective_mode": 1 # this used 120 ??? 133 }, 0.01, 1579.2858949296565 ] 133 }, 0.01, 1579.2858949296565 ] 134 134 ] 135 135 # putting None for expected result will pass the test if there are no errors from the routine, but without any check on the value of the result
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