Changeset ff18db1 in sasmodels


Ignore:
Timestamp:
May 30, 2018 12:01:37 PM (5 months ago)
Author:
richardh
Branches:
master, F1F2models_grethe, beta_approx, cuda-test, py3, ticket-1074-gammainc, ticket-1084, ticket-1102-pinhole, ticket-1142-plugin-reload, ticket-1155BE_PolyElectrolyte, ticket-1157, ticket-608-user-defined-weights, ticket_1156
Children:
7994359
Parents:
33969b6
Message:

ticket 1105 edit docs and default params for mass_surface_fractal

File:
1 edited

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  • sasmodels/models/mass_surface_fractal.py

    r2d81cfe rff18db1  
    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 
     
    4955A J Hurd, D W Schaefer, J E Martin, *Phys. Rev. A*, 
    505635 (1987) 2361-2364 Equation(2) 
     57 
     58* **Last Reviewed by:** Richard Heenan **Date:** May 30, 2018 
     59 
    5160""" 
    5261 
     
    6776        rg_primary    =  rg 
    6877        background   =  background 
    69         Ref: Schmidt, J Appl Cryst, eq(19), (1991), 24, 414-435 
    7078        Hurd, Schaefer, Martin, Phys Rev A, eq(2),(1987),35, 2361-2364 
    7179        Note that 0 < Ds< 6 and 0 < Dm < 6. 
     
    7886    ["fractal_dim_mass", "",      1.8, [0.0, 6.0], "", "Mass fractal dimension"], 
    7987    ["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"], 
    8290] 
    8391# pylint: enable=bad-whitespace, line-too-long 
     
    107115            fractal_dim_mass=1.8, 
    108116            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) 
    111119 
    112120tests = [ 
    113121 
    114     # Accuracy tests based on content in test/utest_other_models.py 
    115     [{'fractal_dim_mass':      1.8, 
     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, 
    116124      'fractal_dim_surf':   2.3, 
    117125      'rg_cluster':   86.7, 
     
    123131    [{'fractal_dim_mass':      3.3, 
    124132      '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], 
    128136 
    129137    [{'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, 
    133141      'background':    0.8, 
    134      }, 0.001, 1.16539753641], 
     142     }, 0.001, 1.28296431786], 
    135143 
    136144    [{'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, 
    140148      'scale':        10.0, 
    141149      'background':    0.0, 
    142      }, 0.051, 0.000169548800377], 
     150     }, 0.051, 0.00333804044899], 
    143151    ] 
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