Changeset 92dfe0c in sasmodels


Ignore:
Timestamp:
Mar 22, 2017 10:17:12 PM (9 months ago)
Author:
Paul Kienzle <pkienzle@…>
Branches:
master, boltzmann, costrafo411, doc_update, generic_integration_loop, ticket-1043, ticket-786
Children:
67595af
Parents:
d605080
Message:

core shell parallelepiped: adjust to new asymmetric orientation definition; start fixing docs. Refs #890.

Location:
sasmodels/models
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • sasmodels/models/core_shell_parallelepiped.c

    r1e7b0db r92dfe0c  
    134134    double psi) 
    135135{ 
    136     double q, cos_val_a, cos_val_b, cos_val_c; 
    137     ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, cos_val_c, cos_val_b, cos_val_a); 
     136    double q, zhat, yhat, xhat; 
     137    ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, xhat, yhat, zhat); 
    138138 
    139139    // cspkernel in csparallelepiped recoded here 
     
    160160    double tc = length_a + 2.0*thick_rim_c; 
    161161    //handle arg=0 separately, as sin(t)/t -> 1 as t->0 
    162     double siA = sas_sinx_x(0.5*q*length_a*cos_val_a); 
    163     double siB = sas_sinx_x(0.5*q*length_b*cos_val_b); 
    164     double siC = sas_sinx_x(0.5*q*length_c*cos_val_c); 
    165     double siAt = sas_sinx_x(0.5*q*ta*cos_val_a); 
    166     double siBt = sas_sinx_x(0.5*q*tb*cos_val_b); 
    167     double siCt = sas_sinx_x(0.5*q*tc*cos_val_c); 
     162    double siA = sas_sinx_x(0.5*q*length_a*xhat); 
     163    double siB = sas_sinx_x(0.5*q*length_b*yhat); 
     164    double siC = sas_sinx_x(0.5*q*length_c*zhat); 
     165    double siAt = sas_sinx_x(0.5*q*ta*xhat); 
     166    double siBt = sas_sinx_x(0.5*q*tb*yhat); 
     167    double siCt = sas_sinx_x(0.5*q*tc*zhat); 
    168168     
    169169 
  • sasmodels/models/core_shell_parallelepiped.py

    r797a8e3 r92dfe0c  
    4444 
    4545    F_{a}(Q,\alpha,\beta)= 
    46     \Bigg(\frac{sin(Q(L_A+2t_A)/2sin\alpha sin\beta)}{Q(L_A+2t_A)/2sin\alpha 
    47     sin\beta)} 
    48     - \frac{sin(QL_A/2sin\alpha sin\beta)}{QL_A/2sin\alpha sin\beta)} \Bigg) 
    49     + \frac{sin(QL_B/2sin\alpha sin\beta)}{QL_B/2sin\alpha sin\beta)} 
    50     + \frac{sin(QL_C/2sin\alpha sin\beta)}{QL_C/2sin\alpha sin\beta)} 
     46    \left[\frac{\sin(Q(L_A+2t_A)/2\sin\alpha \sin\beta)}{Q(L_A+2t_A)/2\sin\alpha\sin\beta} 
     47    - \frac{\sin(QL_A/2\sin\alpha \sin\beta)}{QL_A/2\sin\alpha \sin\beta} \right] 
     48    \left[\frac{\sin(QL_B/2\sin\alpha \sin\beta)}{QL_B/2\sin\alpha \sin\beta} \right] 
     49    \left[\frac{\sin(QL_C/2\sin\alpha \sin\beta)}{QL_C/2\sin\alpha \sin\beta} \right] 
    5150 
    5251.. note:: 
     
    5857 
    5958FITTING NOTES 
    60 If the scale is set equal to the particle volume fraction, |phi|, the returned 
     59If the scale is set equal to the particle volume fraction, $\phi$, the returned 
    6160value is the scattered intensity per unit volume, $I(q) = \phi P(q)$. 
    6261However, **no interparticle interference effects are included in this 
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