Changeset ff18db1 in sasmodels
 Timestamp:
 May 30, 2018 12:01:37 PM (7 months ago)
 Branches:
 master, F1F2models_grethe, beta_approx, cudatest, py3, ticket1015gpumemerror, ticket1015quickfix, ticket1157, ticket608userdefinedweights, ticket_1156
 Children:
 7994359
 Parents:
 33969b6
 File:

 1 edited
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sasmodels/models/mass_surface_fractal.py
r2d81cfe rff18db1 39 39 The surface ( $D_s$ ) and mass ( $D_m$ ) fractal dimensions are only 40 40 valid if $0 < surface\_dim < 6$ , $0 < mass\_dim < 6$ , and 41 $(surface\_dim + mass\_dim ) < 6$ . 42 41 $(surface\_dim + mass\_dim ) < 6$ . 42 Older versions of sasview may have the default primary particle radius 43 larger than the cluster radius, this was an error, also present in the 44 Schmidt review paper below. The primary particle should be the smaller 45 as described in the original Hurd et.al. who also point out that 46 polydispersity in the primary particle sizes may affect their 47 apparent surface fractal dimension. 48 43 49 44 50 References … … 49 55 A J Hurd, D W Schaefer, J E Martin, *Phys. Rev. A*, 50 56 35 (1987) 23612364 Equation(2) 57 58 * **Last Reviewed by:** Richard Heenan **Date:** May 30, 2018 59 51 60 """ 52 61 … … 67 76 rg_primary = rg 68 77 background = background 69 Ref: Schmidt, J Appl Cryst, eq(19), (1991), 24, 41443570 78 Hurd, Schaefer, Martin, Phys Rev A, eq(2),(1987),35, 23612364 71 79 Note that 0 < Ds< 6 and 0 < Dm < 6. … … 78 86 ["fractal_dim_mass", "", 1.8, [0.0, 6.0], "", "Mass fractal dimension"], 79 87 ["fractal_dim_surf", "", 2.3, [0.0, 6.0], "", "Surface fractal dimension"], 80 ["rg_cluster", "Ang", 86.7, [0.0, inf], "", "Cluster radius of gyration"],81 ["rg_primary", "Ang", 4000., [0.0, inf], "", "Primary particle radius of gyration"],88 ["rg_cluster", "Ang", 4000., [0.0, inf], "", "Cluster radius of gyration"], 89 ["rg_primary", "Ang", 86.7, [0.0, inf], "", "Primary particle radius of gyration"], 82 90 ] 83 91 # pylint: enable=badwhitespace, linetoolong … … 107 115 fractal_dim_mass=1.8, 108 116 fractal_dim_surf=2.3, 109 rg_cluster= 86.7,110 rg_primary= 4000.0)117 rg_cluster=4000.0, 118 rg_primary=86.7) 111 119 112 120 tests = [ 113 121 114 # Accuracy tests based on content in test/utest_other_models.py 115 [{'fractal_dim_mass': 122 # Accuracy tests based on content in test/utest_other_models.py All except first, changed so rg_cluster is the larger, RKH 30 May 2018 123 [{'fractal_dim_mass': 1.8, 116 124 'fractal_dim_surf': 2.3, 117 125 'rg_cluster': 86.7, … … 123 131 [{'fractal_dim_mass': 3.3, 124 132 'fractal_dim_surf': 1.0, 125 'rg_cluster': 90.0,126 'rg_primary': 4000.0,127 }, 0.001, 0. 18562699016],133 'rg_cluster': 4000.0, 134 'rg_primary': 90.0, 135 }, 0.001, 0.0932516614456], 128 136 129 137 [{'fractal_dim_mass': 1.3, 130 'fractal_dim_surf': 1.0,131 'rg_cluster': 90.0,132 'rg_primary': 2000.0,138 'fractal_dim_surf': 2.0, 139 'rg_cluster': 2000.0, 140 'rg_primary': 90.0, 133 141 'background': 0.8, 134 }, 0.001, 1. 16539753641],142 }, 0.001, 1.28296431786], 135 143 136 144 [{'fractal_dim_mass': 2.3, 137 'fractal_dim_surf': 1.0,138 'rg_cluster': 90.0,139 'rg_primary': 1000.0,145 'fractal_dim_surf': 3.1, 146 'rg_cluster': 1000.0, 147 'rg_primary': 30.0, 140 148 'scale': 10.0, 141 149 'background': 0.0, 142 }, 0.051, 0.00 0169548800377],150 }, 0.051, 0.00333804044899], 143 151 ]
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