Changeset b00a646 in sasmodels


Ignore:
Timestamp:
Mar 22, 2017 5:48:13 PM (2 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:
3b571ae
Parents:
8267e0b
git-author:
Paul Kienzle <pkienzle@…> (03/22/17 17:40:28)
git-committer:
Paul Kienzle <pkienzle@…> (03/22/17 17:48:13)
Message:

orientation: use new orientation definition for asymmetric shapes. Refs #890.

File:
1 edited

Legend:

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  • sasmodels/kernel_header.c

    rdaeef4c rb00a646  
    148148inline double sas_sinx_x(double x) { return x==0 ? 1.0 : sin(x)/x; } 
    149149 
     150// To rotate from the canonical position to theta, phi, psi, first rotate by 
     151// psi about the major axis, oriented along z, which is a rotation in the 
     152// detector plane xy. Next rotate by theta about the y axis, aligning the major 
     153// axis in the xz plane. Finally, rotate by phi in the detector plane xy. 
     154// To compute the scattering, undo these rotations in reverse order: 
     155//     rotate in xy by -phi, rotate in xz by -theta, rotate in xy by -psi 
     156// The returned q is the length of the q vector and (xhat, yhat, zhat) is a unit 
     157// vector in the q direction. 
     158// To change between counterclockwise and clockwise rotation, change the 
     159// sign of phi and psi. 
     160 
    150161#if 1 
    151162//think cos(theta) should be sin(theta) in new coords, RKH 11Jan2017 
     
    166177#endif 
    167178 
     179#if 1 
     180#define ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, xhat, yhat, zhat) do { \ 
     181    q = sqrt(qx*qx + qy*qy); \ 
     182    const double qxhat = qx/q; \ 
     183    const double qyhat = qy/q; \ 
     184    double sin_theta, cos_theta; \ 
     185    double sin_phi, cos_phi; \ 
     186    double sin_psi, cos_psi; \ 
     187    SINCOS(theta*M_PI_180, sin_theta, cos_theta); \ 
     188    SINCOS(phi*M_PI_180, sin_phi, cos_phi); \ 
     189    SINCOS(psi*M_PI_180, sin_psi, cos_psi); \ 
     190    xhat = qxhat*(-sin_phi*sin_psi + cos_theta*cos_phi*cos_psi) \ 
     191         + qyhat*( cos_phi*sin_psi + cos_theta*sin_phi*cos_psi); \ 
     192    yhat = qxhat*(-sin_phi*cos_psi - cos_theta*cos_phi*sin_psi) \ 
     193         + qyhat*( cos_phi*cos_psi - cos_theta*sin_phi*sin_psi); \ 
     194    zhat = qxhat*(-sin_theta*cos_phi) \ 
     195         + qyhat*(-sin_theta*sin_phi); \ 
     196    } while (0) 
     197#else 
     198// SasView 3.x definition of orientation 
    168199#define ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, cos_alpha, cos_mu, cos_nu) do { \ 
    169200    q = sqrt(qx*qx + qy*qy); \ 
     
    180211    cos_nu = (-cos_phi*sin_psi*sin_theta + sin_phi*cos_psi)*qxhat + sin_psi*cos_theta*qyhat; \ 
    181212    } while (0) 
     213#endif 
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