Changes in sasmodels/models/sphere.py [2ed7de0:b39bf3b] in sasmodels
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sasmodels/models/sphere.py
r2ed7de0 rb39bf3b 75 75 ["sld_solvent", "1e-6/Ang^2", 6, [-inf, inf], "sld", 76 76 "Solvent scattering length density"], 77 ["radius", "Ang", 50, [0, inf], "volume",77 ["radius", "Ang", 45, [0, inf], "volume", 78 78 "Sphere radius"], 79 79 ] … … 92 92 93 93 tests = [ 94 [{}, 0.2, 0.726362], 95 [{"scale": 1., "background": 0., "sld": 6., "sld_solvent": 1., 96 "radius": 120., "radius_pd": 0.2, "radius_pd_n":45}, 97 0.2, 0.2288431], 98 [{"radius": 120., "radius_pd": 0.02, "radius_pd_n":45}, 0.2, 99 # F1, F2, R_eff, volume, volume_ratio = call_Fq(kernel, pars) at q=0.2 100 792.0646662454202, 1166737.0473152, 120.0, 7246723.820358589, 1.0], 101 # But note P(Q) = F2/volume+background, F1 and F2 are vectors 102 # BUT what is scaling of F1 ??? At low Pd F2 ~ F1^2 ? 103 [{"radius": 120., "radius_pd": 0.2, "radius_pd_n":45}, 0.2, 104 # F1, F2, R_eff, volume, volume_ratio = call_Fq(kernel, pars) at q=0.2 105 1.233304061, 1850806.119736, 120.0, 8087664.1226, 1.0], 106 [{"@S": "hardsphere"}, 107 0.01, 55.881884232102124], # current value, not verified elsewhere yet 108 [{"@S": "hardsphere"}, 109 0.2, 0.14730859242492958], # current value, not verified elsewhere yet 110 [{"@S": "hardsphere"}, 111 0.1, 0.7940350343811906], # current value, not verified elsewhere yet 112 [{"@S": "hardsphere", # hard sphere structure factor 113 "structure_factor_mode": 1, # decoupling approximation 114 "radius_effective_mode": 1, 115 # Currently have hardwired model_test to accept radius_effective 116 "radius_effective": 27.0, # equivalent sphere 117 # direct_model has the name & value BUT does it get passed to S(Q)??? 118 # What about volfracion, plus the many parameters used by other S(Q) ? 94 # [{}, 0.2, 0.726362], 95 # [{"scale": 1., "background": 0., "sld": 6., "sld_solvent": 1., 96 # "radius": 120., "radius_pd": 0.2, "radius_pd_n":45}, 97 # 0.2, 0.2288431], 98 # [{"radius": 120., "radius_pd": 0.02, "radius_pd_n":45}, 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 # # But note P(Q) = F2/volume, F1 and F2 are vectors, for some reason only F2 needs square brackets 101 # # BUT what is scaling of F1 ??? At low Pd F2 ~ F1^2 ? 102 # [{"@S": "hardsphere"}, 103 # 0.01, 55.881884232102124], # this is current value, not verified elsewhere yet 104 # [{"radius": 120., "radius_pd": 0.2, "radius_pd_n":45}, 105 # 0.2, 1.233304061, [1850806.119736], 120.0, 8087664.1226, 1.0], # the longer list here checks F1, F2, R_eff, volume, volume_ratio = call_Fq(kernel, pars) 106 # [{"@S": "hardsphere"}, 107 # 0.2, 0.14730859242492958], # this is current value, not verified elsewhere yet 108 # [{"@S": "hardsphere"}, 109 # 0.1, 0.7940350343811906], # this is current value, not verified elsewhere yet 110 [{"@S": "hardsphere", 111 "radius": 120., "radius_pd": 0.2, "radius_pd_n":45, 112 "volfraction":0.2, 113 "radius_effective":45.0, # hard sphere structure factor 114 "structure_factor_mode": 1, # decoupling approximation 115 #"effective_radius_type": 1 # equivalent sphere Currently have hardwired model_test to accept radius_effective 116 # direct_model has the name & value BUT does it get passed to S(Q)??? What about volfracion, plus the many parameters used by other S(Q) ? 119 117 # effective_radius_type does NOT appear in the list, has it been stripped out??? 120 }, 0. 1, 0.7940350343881906],121 #[{"@S": "hardsphere", # hard sphere structure factor122 # "structure_factor_mode": 3, # - WHY same result?123 # "effective_radius_type": 3, "radius_effective":23.0 #124 #}, 0.1, 0.7940350343881906]118 }, 0.01, 0.7940350343881906], 119 # [{"@S": "hardsphere", # hard sphere structure factor 120 # "structure_factor_mode": 2, # - WHY same result? 121 # "effective_radius_type": 2, "radius_effective":23.0 # 122 # }, 0.1, 0.7940350343881906] 125 123 ] 126 # putting None for expected result will pass the test if there are no errors 127 # from the routine, but without any check on the value of the result 124 # 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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