Changeset 50beefe in sasmodels


Ignore:
Timestamp:
Mar 22, 2017 8:24:42 PM (9 months ago)
Author:
Paul Kienzle <pkienzle@…>
Branches:
master, boltzmann, costrafo411, doc_update, generic_integration_loop, ticket-1043, ticket-786
Children:
b260926
Parents:
61104c8
Message:

paracrystal: adjust to new asymmetric orientation definition. Refs #890.

Location:
sasmodels/models
Files:
3 edited

Legend:

Unmodified
Added
Removed
  • sasmodels/models/bcc_paracrystal.c

    r4962519 r50beefe  
    9090    double theta, double phi, double psi) 
    9191{ 
    92     double q, cos_a1, cos_a2, cos_a3; 
    93     ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, cos_a3, cos_a2, cos_a1); 
     92    double q, zhat, yhat, xhat; 
     93    ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, xhat, yhat, zhat); 
    9494 
    95     const double a1 = +cos_a3 - cos_a1 + cos_a2; 
    96     const double a2 = +cos_a3 + cos_a1 - cos_a2; 
    97     const double a3 = -cos_a3 + cos_a1 + cos_a2; 
     95    const double a1 = +xhat - zhat + yhat; 
     96    const double a2 = +xhat + zhat - yhat; 
     97    const double a3 = -xhat + zhat + yhat; 
    9898 
    9999    const double qd = 0.5*q*dnn; 
  • sasmodels/models/fcc_paracrystal.c

    r4962519 r50beefe  
    9090    double theta, double phi, double psi) 
    9191{ 
    92     double q, cos_a1, cos_a2, cos_a3; 
    93     ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, cos_a3, cos_a2, cos_a1); 
     92    double q, zhat, yhat, xhat; 
     93    ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, xhat, yhat, zhat); 
    9494 
    95     const double a1 = cos_a2 + cos_a3; 
    96     const double a2 = cos_a3 + cos_a1; 
    97     const double a3 = cos_a2 + cos_a1; 
     95    const double a1 = yhat + xhat; 
     96    const double a2 = xhat + zhat; 
     97    const double a3 = yhat + zhat; 
    9898    const double qd = 0.5*q*dnn; 
    9999    const double arg = 0.5*square(qd*d_factor)*(a1*a1 + a2*a2 + a3*a3); 
  • sasmodels/models/sc_paracrystal.c

    r4962519 r50beefe  
    111111          double psi) 
    112112{ 
    113     double q, cos_a1, cos_a2, cos_a3; 
    114     ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, cos_a3, cos_a2, cos_a1); 
     113    double q, zhat, yhat, xhat; 
     114    ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, xhat, yhat, zhat); 
    115115 
    116116    const double qd = q*dnn; 
     
    118118    const double tanh_qd = tanh(arg); 
    119119    const double cosh_qd = cosh(arg); 
    120     const double Zq = tanh_qd/(1. - cos(qd*cos_a1)/cosh_qd) 
    121                     * tanh_qd/(1. - cos(qd*cos_a2)/cosh_qd) 
    122                     * tanh_qd/(1. - cos(qd*cos_a3)/cosh_qd); 
     120    const double Zq = tanh_qd/(1. - cos(qd*zhat)/cosh_qd) 
     121                    * tanh_qd/(1. - cos(qd*yhat)/cosh_qd) 
     122                    * tanh_qd/(1. - cos(qd*xhat)/cosh_qd); 
    123123 
    124124    const double Fq = sphere_form(q, radius, sphere_sld, solvent_sld)*Zq; 
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