Changeset 02490b3 in sasmodels


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Timestamp:
May 31, 2018 1:05:53 AM (3 months ago)
Author:
GitHub <noreply@…>
Branches:
master, ESS_GUI, beta_approx, beta_approx_lazy_results, beta_approx_new_R_eff, doc_update, ticket-1104-resolution, ticket-1112, ticket-1142-plugin-reload, ticket-1148-Sq-scale-background, ticket-608-user-defined-weights
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3cea5a0
Parents:
33969b6 (diff), 7994359 (diff)
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git-author:
Paul Butler <butlerpd@…> (05/31/18 01:05:53)
git-committer:
GitHub <noreply@…> (05/31/18 01:05:53)
Message:

Merge pull request #68 from SasView?/ticket-1105_mass_surface_fractal

ticket 1105 edit docs and default params for mass_surface_fractal

closes #1105

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1 edited

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  • sasmodels/models/mass_surface_fractal.py

    r2d81cfe r7994359  
    3939    The surface ( $D_s$ ) and mass ( $D_m$ ) fractal dimensions are only 
    4040    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     
    4349 
    4450References 
    4551---------- 
    4652 
    47 P Schmidt, *J Appl. Cryst.*, 24 (1991) 414-435 Equation(19) 
     53.. [#] P Schmidt, *J Appl. Cryst.*, 24 (1991) 414-435 Equation(19) 
     54.. [#] A J Hurd, D W Schaefer, J E Martin, *Phys. Rev. A*, 
     55   35 (1987) 2361-2364 Equation(2) 
    4856 
    49 A J Hurd, D W Schaefer, J E Martin, *Phys. Rev. A*, 
    50 35 (1987) 2361-2364 Equation(2) 
     57Authorship 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 
    5162""" 
    5263 
     
    6778        rg_primary    =  rg 
    6879        background   =  background 
    69         Ref: Schmidt, J Appl Cryst, eq(19), (1991), 24, 414-435 
    7080        Hurd, Schaefer, Martin, Phys Rev A, eq(2),(1987),35, 2361-2364 
    7181        Note that 0 < Ds< 6 and 0 < Dm < 6. 
     
    7888    ["fractal_dim_mass", "",      1.8, [0.0, 6.0], "", "Mass fractal dimension"], 
    7989    ["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"], 
    8292] 
    8393# pylint: enable=bad-whitespace, line-too-long 
     
    107117            fractal_dim_mass=1.8, 
    108118            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) 
    111121 
    112122tests = [ 
    113123 
    114     # Accuracy tests based on content in test/utest_other_models.py 
    115     [{'fractal_dim_mass':      1.8, 
     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, 
    116126      'fractal_dim_surf':   2.3, 
    117127      'rg_cluster':   86.7, 
     
    123133    [{'fractal_dim_mass':      3.3, 
    124134      '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], 
    128138 
    129139    [{'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, 
    133143      'background':    0.8, 
    134      }, 0.001, 1.16539753641], 
     144     }, 0.001, 1.28296431786], 
    135145 
    136146    [{'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, 
    140150      'scale':        10.0, 
    141151      'background':    0.0, 
    142      }, 0.051, 0.000169548800377], 
     152     }, 0.051, 0.00333804044899], 
    143153    ] 
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