Changeset e9b0ef3 in sasmodels


Ignore:
Timestamp:
Dec 20, 2016 4:46:25 PM (8 years ago)
Author:
Paul Kienzle <pkienzle@…>
Branches:
master, core_shell_microgels, costrafo411, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
Children:
41b1edd
Parents:
d2deac2
Message:

round to nearest number of pearls; tweak equation format; limit to at least one pearl

Location:
sasmodels/models
Files:
2 edited

Legend:

Unmodified
Added
Removed

  • sasmodels/models/linear_pearls.c

    r4962519 re9b0ef3  
    44            double radius, 
    55            double edge_sep, 
    6             double num_pearls, 
     6            double fp_num_pearls, 
    77            double pearl_sld, 
    88            double solvent_sld); 
    … …  
    1111            double radius, 
    1212            double edge_sep, 
    13             double num_pearls, 
     13            int num_pearls, 
    1414            double pearl_sld, 
    1515            double solvent_sld); 
    1616 
    1717 
    18 double form_volume(double radius, double num_pearls) 
     18double form_volume(double radius, double fp_num_pearls) 
    1919{ 
     20    int num_pearls = (int)(fp_num_pearls + 0.5); 
    2021    // Pearl volume 
    2122    double pearl_vol = M_4PI_3 * cube(radius); 
    … …  
    2728            double radius, 
    2829            double edge_sep, 
    29             double num_pearls, 
     30            int num_pearls, 
    3031            double pearl_sld, 
    3132            double solvent_sld) 
    3233{ 
    33     double n_contrib; 
    3434    //relative sld 
    3535    double contrast_pearl = pearl_sld - solvent_sld; 
    … …  
    4747 
    4848    // N pearls contribution 
    49     int n_max = num_pearls - 1; 
    50     n_contrib = num_pearls; 
    51     for(int num=1; num<=n_max; num++) { 
    52         n_contrib += (2.0*(num_pearls-num)*sinc(q*separation*num)); 
     49    double n_contrib = (double)num_pearls; 
     50    for(int num=1; num<num_pearls; num++) { 
     51        n_contrib += 2.0*(num_pearls-num)*sinc(q*separation*num); 
    5352    } 
    5453    // form factor for num_pearls 
    … …  
    6160            double radius, 
    6261            double edge_sep, 
    63             double num_pearls, 
     62            double fp_num_pearls, 
    6463            double pearl_sld, 
    6564            double solvent_sld) 
    6665{ 
    6766 
     67    int num_pearls = (int)(fp_num_pearls + 0.5); 
    6868        double result = linear_pearls_kernel(q, 
    6969                    radius, 

  • sasmodels/models/linear_pearls.py

    r4962519 re9b0ef3  
    1616.. math:: 
    1717 
    18     P(Q) = \frac{scale}{V}\left[ m_{p}^2 
    19     \left(N+2\sum_{n-1}^{N-1}(N-n)\frac{sin(qnl)}{qnl}\right) 
    20     \left( 3\frac{sin(qR)-qRcos(qR)}{(qr)^3}\right)^2\right] 
     18    P(Q) = \frac{\text{scale}}{V}\left[ m_{p}^2 
     19    \left(N+2\sum_{n-1}^{N-1}(N-n)\frac{\sin(qnl)}{qnl}\right) 
     20    \left( 3\frac{\sin(qR)-qR\cos(qR)}{(qr)^3}\right)^2\right] 
    2121 
    2222where the mass $m_p$ is $(SLD_{pearl}-SLD_{solvent})*(volume\ of\ N\ pearls)$. 
    … …  
    5656    ["radius",      "Ang",       80.0, [0, inf],     "", "Radius of the pearls"], 
    5757    ["edge_sep",    "Ang",      350.0, [0, inf],     "", "Length of the string segment - surface to surface"], 
    58     ["num_pearls",  "",           3.0, [0, inf],     "", "Number of the pearls"], 
     58    ["num_pearls",  "",           3.0, [1, inf],     "", "Number of the pearls"], 
    5959    ["sld",   "1e-6/Ang^2", 1.0, [-inf, inf],  "sld", "SLD of the pearl spheres"], 
    6060    ["sld_solvent", "1e-6/Ang^2", 6.3, [-inf, inf],  "sld", "SLD of the solvent"], 
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