Changes in / [02490b3:33969b6] in sasmodels


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  • sasmodels/models/mass_surface_fractal.py

    r7994359 r2d81cfe  
    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     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      
     41    $(surface\_dim + mass\_dim ) < 6$ . 
     42 
    4943 
    5044References 
    5145---------- 
    5246 
    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) 
     47P Schmidt, *J Appl. Cryst.*, 24 (1991) 414-435 Equation(19) 
    5648 
    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 
     49A J Hurd, D W Schaefer, J E Martin, *Phys. Rev. A*, 
     5035 (1987) 2361-2364 Equation(2) 
    6251""" 
    6352 
     
    7867        rg_primary    =  rg 
    7968        background   =  background 
     69        Ref: Schmidt, J Appl Cryst, eq(19), (1991), 24, 414-435 
    8070        Hurd, Schaefer, Martin, Phys Rev A, eq(2),(1987),35, 2361-2364 
    8171        Note that 0 < Ds< 6 and 0 < Dm < 6. 
     
    8878    ["fractal_dim_mass", "",      1.8, [0.0, 6.0], "", "Mass fractal dimension"], 
    8979    ["fractal_dim_surf", "",      2.3, [0.0, 6.0], "", "Surface fractal dimension"], 
    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"], 
     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"], 
    9282] 
    9383# pylint: enable=bad-whitespace, line-too-long 
     
    117107            fractal_dim_mass=1.8, 
    118108            fractal_dim_surf=2.3, 
    119             rg_cluster=4000.0, 
    120             rg_primary=86.7) 
     109            rg_cluster=86.7, 
     110            rg_primary=4000.0) 
    121111 
    122112tests = [ 
    123113 
    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, 
     114    # Accuracy tests based on content in test/utest_other_models.py 
     115    [{'fractal_dim_mass':      1.8, 
    126116      'fractal_dim_surf':   2.3, 
    127117      'rg_cluster':   86.7, 
     
    133123    [{'fractal_dim_mass':      3.3, 
    134124      'fractal_dim_surf':   1.0, 
    135       'rg_cluster': 4000.0, 
    136       'rg_primary':   90.0, 
    137      }, 0.001, 0.0932516614456], 
     125      'rg_cluster':   90.0, 
     126      'rg_primary': 4000.0, 
     127     }, 0.001, 0.18562699016], 
    138128 
    139129    [{'fractal_dim_mass':      1.3, 
    140       'fractal_dim_surf':   2.0, 
    141       'rg_cluster': 2000.0, 
    142       'rg_primary':   90.0, 
     130      'fractal_dim_surf':   1.0, 
     131      'rg_cluster':   90.0, 
     132      'rg_primary': 2000.0, 
    143133      'background':    0.8, 
    144      }, 0.001, 1.28296431786], 
     134     }, 0.001, 1.16539753641], 
    145135 
    146136    [{'fractal_dim_mass':      2.3, 
    147       'fractal_dim_surf':   3.1, 
    148       'rg_cluster':  1000.0, 
    149       'rg_primary':  30.0, 
     137      'fractal_dim_surf':   1.0, 
     138      'rg_cluster':   90.0, 
     139      'rg_primary': 1000.0, 
    150140      'scale':        10.0, 
    151141      'background':    0.0, 
    152      }, 0.051, 0.00333804044899], 
     142     }, 0.051, 0.000169548800377], 
    153143    ] 
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