Changeset 02490b3 in sasmodels
 Timestamp:
 May 31, 2018 1:05:53 AM (7 months ago)
 Branches:
 master, F1F2models_grethe, beta_approx, cudatest, py3, ticket1015gpumemerror, ticket1015quickfix, ticket1157, ticket608userdefinedweights, ticket_1156
 Children:
 3cea5a0
 Parents:
 33969b6 (diff), 7994359 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.  gitauthor:
 Paul Butler <butlerpd@…> (05/31/18 01:05:53)
 gitcommitter:
 GitHub <noreply@…> (05/31/18 01:05:53)
 File:

 1 edited
Legend:
 Unmodified
 Added
 Removed

sasmodels/models/mass_surface_fractal.py
r2d81cfe r7994359 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 45 51  46 52 47 P Schmidt, *J Appl. Cryst.*, 24 (1991) 414435 Equation(19) 53 .. [#] P Schmidt, *J Appl. Cryst.*, 24 (1991) 414435 Equation(19) 54 .. [#] A J Hurd, D W Schaefer, J E Martin, *Phys. Rev. A*, 55 35 (1987) 23612364 Equation(2) 48 56 49 A J Hurd, D W Schaefer, J E Martin, *Phys. Rev. A*, 50 35 (1987) 23612364 Equation(2) 57 Authorship and Verification 58  59 60 * **Converted to sasmodels by:** Piotr Rozyczko **Date:** Jan 20, 2016 61 * **Last Reviewed by:** Richard Heenan **Date:** May 30, 2018 51 62 """ 52 63 … … 67 78 rg_primary = rg 68 79 background = background 69 Ref: Schmidt, J Appl Cryst, eq(19), (1991), 24, 41443570 80 Hurd, Schaefer, Martin, Phys Rev A, eq(2),(1987),35, 23612364 71 81 Note that 0 < Ds< 6 and 0 < Dm < 6. … … 78 88 ["fractal_dim_mass", "", 1.8, [0.0, 6.0], "", "Mass fractal dimension"], 79 89 ["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"],90 ["rg_cluster", "Ang", 4000., [0.0, inf], "", "Cluster radius of gyration"], 91 ["rg_primary", "Ang", 86.7, [0.0, inf], "", "Primary particle radius of gyration"], 82 92 ] 83 93 # pylint: enable=badwhitespace, linetoolong … … 107 117 fractal_dim_mass=1.8, 108 118 fractal_dim_surf=2.3, 109 rg_cluster= 86.7,110 rg_primary= 4000.0)119 rg_cluster=4000.0, 120 rg_primary=86.7) 111 121 112 122 tests = [ 113 123 114 # Accuracy tests based on content in test/utest_other_models.py 115 [{'fractal_dim_mass': 124 # 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 125 [{'fractal_dim_mass': 1.8, 116 126 'fractal_dim_surf': 2.3, 117 127 'rg_cluster': 86.7, … … 123 133 [{'fractal_dim_mass': 3.3, 124 134 'fractal_dim_surf': 1.0, 125 'rg_cluster': 90.0,126 'rg_primary': 4000.0,127 }, 0.001, 0. 18562699016],135 'rg_cluster': 4000.0, 136 'rg_primary': 90.0, 137 }, 0.001, 0.0932516614456], 128 138 129 139 [{'fractal_dim_mass': 1.3, 130 'fractal_dim_surf': 1.0,131 'rg_cluster': 90.0,132 'rg_primary': 2000.0,140 'fractal_dim_surf': 2.0, 141 'rg_cluster': 2000.0, 142 'rg_primary': 90.0, 133 143 'background': 0.8, 134 }, 0.001, 1. 16539753641],144 }, 0.001, 1.28296431786], 135 145 136 146 [{'fractal_dim_mass': 2.3, 137 'fractal_dim_surf': 1.0,138 'rg_cluster': 90.0,139 'rg_primary': 1000.0,147 'fractal_dim_surf': 3.1, 148 'rg_cluster': 1000.0, 149 'rg_primary': 30.0, 140 150 'scale': 10.0, 141 151 'background': 0.0, 142 }, 0.051, 0.00 0169548800377],152 }, 0.051, 0.00333804044899], 143 153 ]
Note: See TracChangeset
for help on using the changeset viewer.