Changeset 48438f9 in sasmodels


Ignore:
Timestamp:
Apr 8, 2017 7:51:51 AM (8 years ago)
Author:
richardh
Branches:
master, core_shell_microgels, costrafo411, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
Children:
3401a7a
Parents:
9b79f29 (diff), 85190c2 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.
Message:

more docs change for new rotation angles

Files:
18 edited
1 moved

Legend:

Unmodified
Added
Removed

  • explore/jitter.py

    r1b693ba r85190c2  
    2525 
    2626    ax.plot_surface(x, y, z, rstride=4, cstride=4, color='y', alpha=0.5) 
    27      
     27 
    2828def draw_shimmy(ax, theta, phi, psi, dtheta, dphi, dpsi): 
    29     size=[0.1, 0.4, 1.0]  
     29    size=[0.1, 0.4, 1.0] 
    3030    view=[theta, phi, psi] 
    3131    shimmy=[0,0,0] 
    3232    #draw_shape = draw_parallelepiped 
    3333    draw_shape = draw_ellipsoid 
    34      
     34 
    3535    #np.random.seed(10) 
    36     #cloud = np.random.randn(10,3)  
     36    #cloud = np.random.randn(10,3) 
    3737    cloud = [ 
    3838        [-1, -1, -1], 
    … …  
    121121    points = Rz(dpsi)*Ry(dtheta)*Rx(dphi)*points 
    122122    points = Rz(phi)*Ry(theta)*Rz(psi)*points 
    123          
     123 
    124124    x,y,z = [np.array(v).flatten() for v in points] 
    125125    ax.plot_trisurf(x, y, triangles=tri, Z=z, color='w', alpha=alpha) 

  • sasmodels/models/core_shell_bicelle_elliptical.c

    rf4f85b3 r44e8a93  
    1 double form_volume(double radius, double x_core, double thick_rim, double thick_face, double length); 
    2 double Iq(double q, 
    3           double radius, 
    4           double x_core, 
    5           double thick_rim, 
    6           double thick_face, 
    7           double length, 
    8           double core_sld, 
    9           double face_sld, 
    10           double rim_sld, 
    11           double solvent_sld); 
    12  
    13  
    14 double Iqxy(double qx, double qy, 
    15           double radius, 
    16           double x_core, 
    17           double thick_rim, 
    18           double thick_face, 
    19           double length, 
    20           double core_sld, 
    21           double face_sld, 
    22           double rim_sld, 
    23           double solvent_sld, 
    24           double theta, 
    25           double phi, 
    26           double psi); 
    27  
    281// NOTE that "length" here is the full height of the core! 
    29 double form_volume(double radius, double x_core, double thick_rim, double thick_face, double length) 
     2static double 
     3form_volume(double r_minor, 
     4        double x_core, 
     5        double thick_rim, 
     6        double thick_face, 
     7        double length) 
    308{ 
    31     return M_PI*(radius+thick_rim)*(radius*x_core+thick_rim)*(length+2.0*thick_face); 
     9    return M_PI*(r_minor+thick_rim)*(r_minor*x_core+thick_rim)*(length+2.0*thick_face); 
    3210} 
    3311 
    34 double Iq(double q, 
    35           double rad, 
    36           double x_core, 
    37           double radthick, 
    38           double facthick, 
    39           double length, 
    40           double rhoc, 
    41           double rhoh, 
    42           double rhor, 
    43           double rhosolv) 
     12static double 
     13Iq(double q, 
     14        double r_minor, 
     15        double x_core, 
     16        double thick_rim, 
     17        double thick_face, 
     18        double length, 
     19        double rhoc, 
     20        double rhoh, 
     21        double rhor, 
     22        double rhosolv) 
    4423{ 
    4524    double si1,si2,be1,be2; 
    … …  
    5433    //const double vbj=M_PI; 
    5534 
    56     const double radius_major = rad * x_core; 
    57     const double rA = 0.5*(square(radius_major) + square(rad)); 
    58     const double rB = 0.5*(square(radius_major) - square(rad)); 
    59     const double dr1 = (rhoc-rhoh)   *M_PI*rad*radius_major*(2.0*halfheight);; 
    60     const double dr2 = (rhor-rhosolv)*M_PI*(rad+radthick)*(radius_major+radthick)*2.0*(halfheight+facthick); 
    61     const double dr3 = (rhoh-rhor)   *M_PI*rad*radius_major*2.0*(halfheight+facthick); 
    62     //const double vol1 = M_PI*rad*radius_major*(2.0*halfheight); 
    63     //const double vol2 = M_PI*(rad+radthick)*(radius_major+radthick)*2.0*(halfheight+facthick); 
    64     //const double vol3 = M_PI*rad*radius_major*2.0*(halfheight+facthick); 
     35    const double r_major = r_minor * x_core; 
     36    const double rA = 0.5*(square(r_major) + square(r_minor)); 
     37    const double rB = 0.5*(square(r_major) - square(r_minor)); 
     38    const double dr1 = (rhoc-rhoh)   *M_PI*r_minor*r_major*(2.0*halfheight);; 
     39    const double dr2 = (rhor-rhosolv)*M_PI*(r_minor+thick_rim)*(r_major+thick_rim)*2.0*(halfheight+thick_face); 
     40    const double dr3 = (rhoh-rhor)   *M_PI*r_minor*r_major*2.0*(halfheight+thick_face); 
     41    //const double vol1 = M_PI*r_minor*r_major*(2.0*halfheight); 
     42    //const double vol2 = M_PI*(r_minor+thick_rim)*(r_major+thick_rim)*2.0*(halfheight+thick_face); 
     43    //const double vol3 = M_PI*r_minor*r_major*2.0*(halfheight+thick_face); 
    6544 
    6645    //initialize integral 
    … …  
    7453        double inner_sum=0; 
    7554        double sinarg1 = q*halfheight*cos_alpha; 
    76         double sinarg2 = q*(halfheight+facthick)*cos_alpha; 
     55        double sinarg2 = q*(halfheight+thick_face)*cos_alpha; 
    7756        si1 = sas_sinx_x(sinarg1); 
    7857        si2 = sas_sinx_x(sinarg2); 
    … …  
    8362            const double rr = sqrt(rA - rB*cos(beta)); 
    8463            double besarg1 = q*rr*sin_alpha; 
    85             double besarg2 = q*(rr+radthick)*sin_alpha; 
     64            double besarg2 = q*(rr+thick_rim)*sin_alpha; 
    8665            be1 = sas_2J1x_x(besarg1); 
    8766            be2 = sas_2J1x_x(besarg2); 
    … …  
    9776} 
    9877 
    99 double  
     78static double 
    10079Iqxy(double qx, double qy, 
    101           double rad, 
     80          double r_minor, 
    10281          double x_core, 
    103           double radthick, 
    104           double facthick, 
     82          double thick_rim, 
     83          double thick_face, 
    10584          double length, 
    10685          double rhoc, 
    … …  
    11897    const double dr2 = rhor-rhosolv; 
    11998    const double dr3 = rhoh-rhor; 
    120     const double radius_major = rad*x_core; 
     99    const double r_major = r_minor*x_core; 
    121100    const double halfheight = 0.5*length; 
    122     const double vol1 = M_PI*rad*radius_major*length; 
    123     const double vol2 = M_PI*(rad+radthick)*(radius_major+radthick)*2.0*(halfheight+facthick); 
    124     const double vol3 = M_PI*rad*radius_major*2.0*(halfheight+facthick); 
     101    const double vol1 = M_PI*r_minor*r_major*length; 
     102    const double vol2 = M_PI*(r_minor+thick_rim)*(r_major+thick_rim)*2.0*(halfheight+thick_face); 
     103    const double vol3 = M_PI*r_minor*r_major*2.0*(halfheight+thick_face); 
    125104 
    126     // Compute:  r = sqrt((radius_major*zhat)^2 + (radius_minor*yhat)^2) 
    127     // Given:    radius_major = r_ratio * radius_minor   
    128     // ASSUME the sin_alpha is included in the separate integration over orientation of rod angle 
    129     const double rad_minor = rad; 
    130     const double rad_major = rad*x_core; 
    131     const double r_hat = sqrt(square(rad_major*xhat) + square(rad_minor*yhat)); 
    132     const double rshell_hat = sqrt(square((rad_major+radthick)*xhat) 
    133                                    + square((rad_minor+radthick)*yhat)); 
     105    // Compute effective radius in rotated coordinates 
     106    const double r_hat = sqrt(square(r_major*xhat) + square(r_minor*yhat)); 
     107    const double rshell_hat = sqrt(square((r_major+thick_rim)*xhat) 
     108                                   + square((r_minor+thick_rim)*yhat)); 
    134109    const double be1 = sas_2J1x_x( q*r_hat ); 
    135110    const double be2 = sas_2J1x_x( q*rshell_hat ); 
    136111    const double si1 = sas_sinx_x( q*halfheight*zhat ); 
    137     const double si2 = sas_sinx_x( q*(halfheight + facthick)*zhat ); 
     112    const double si2 = sas_sinx_x( q*(halfheight + thick_face)*zhat ); 
    138113    const double Aq = square( vol1*dr1*si1*be1 + vol2*dr2*si2*be2 +  vol3*dr3*si2*be1); 
    139     //const double vol = form_volume(radius_minor, r_ratio, length); 
    140114    return 1.0e-4 * Aq; 
    141115} 

  • sasmodels/models/parallelepiped.py

    r9b79f29 r48438f9  
    2323 
    2424   The edge of the solid used to have to satisfy the condition that $A < B < C$. 
    25    After some improvements to the effective radius calculation, used with an S(Q), 
    26    it is beleived that this is no longer the case. 
     25   After some improvements to the effective radius calculation, used with 
     26   an S(Q), it is beleived that this is no longer the case. 
    2727 
    2828The 1D scattering intensity $I(q)$ is calculated as: 
    … …  
    7272 
    7373NB: The 2nd virial coefficient of the parallelepiped is calculated based on 
    74 the averaged effective radius, after appropriately 
    75 sorting the three dimensions, to give an oblate or prolate particle, $(=\sqrt{A B / \pi})$ and 
     74the averaged effective radius, after appropriately sorting the three 
     75dimensions, to give an oblate or prolate particle, $(=\sqrt{AB/\pi})$ and 
    7676length $(= C)$ values, and used as the effective radius for 
    7777$S(q)$ when $P(q) \cdot S(q)$ is applied. 
    … …  
    106106.. figure:: img/parallelepiped_angle_definition.png 
    107107 
    108     Definition of the angles for oriented parallelepiped, shown with $A < B < C$. 
     108    Definition of the angles for oriented parallelepiped, shown with $A<B<C$. 
    109109 
    110110.. figure:: img/parallelepiped_angle_projection.png 
    … …  
    167167---------------------------- 
    168168 
    169 * **Author:** This model is based on form factor calculations implemented in a c-library 
    170 provided by the NIST Center for Neutron Research (Kline, 2006). 
     169* **Author:** This model is based on form factor calculations implemented 
     170in a c-library provided by the NIST Center for Neutron Research (Kline, 2006). 
    171171* **Last Modified by:**  Paul Kienzle **Date:** April 05, 2017 
    172172* **Last Reviewed by:**  Richard Heenan **Date:** April 06, 2017 

  • sasmodels/models/sc_paracrystal.py

    r9b79f29 r48438f9  
    8585.. figure:: img/parallelepiped_angle_definition.png 
    8686 
    87     Orientation of the crystal with respect to the scattering plane, when  
     87    Orientation of the crystal with respect to the scattering plane, when 
    8888    $\theta = \phi = 0$ the $c$ axis is along the beam direction (the $z$ axis). 
    8989 

  • sasmodels/models/stacked_disks.py

    r9b79f29 r48438f9  
    5858and $\sigma_d$ = the Gaussian standard deviation of the d-spacing (*sigma_d*). 
    5959Note that $D\cos(\alpha)$ is the component of $D$ parallel to $q$ and the last 
    60 term in the equation above is effectively a Debye-Waller factor term.  
     60term in the equation above is effectively a Debye-Waller factor term. 
    6161 
    6262.. note:: 
    … …  
    158158tests = [ 
    159159# Accuracy tests based on content in test/utest_extra_models.py. 
    160 # Added 2 tests with n_stacked = 5 using SasView 3.1.2 - PDB; for which alas q=0.001 values seem closer to n_stacked=1 not 5, changed assuming my 4.1 code OK, RKH 
     160# Added 2 tests with n_stacked = 5 using SasView 3.1.2 - PDB; 
     161# for which alas q=0.001 values seem closer to n_stacked=1 not 5, 
     162# changed assuming my 4.1 code OK, RKH 
    161163    [{'thick_core': 10.0, 
    162164      'thick_layer': 15.0, 

  • sasmodels/models/triaxial_ellipsoid.py

    r9b79f29 r48438f9  
    1616    \frac{X^2}{R_a^2} + \frac{Y^2}{R_b^2} + \frac{Z^2}{R_c^2} = 1 
    1717 
    18 the scattering for randomly oriented particles is defined by the average over all orientations $\Omega$ of: 
     18the scattering for randomly oriented particles is defined by the average over 
     19all orientations $\Omega$ of: 
    1920 
    2021.. math:: 
    2122 
    22     P(q) = \text{scale}(\Delta\rho)^2\frac{V}{4 \pi}\int_\Omega \Phi^2(qr) d\Omega + \text{background} 
     23    P(q) = \text{scale}(\Delta\rho)^2\frac{V}{4 \pi}\int_\Omega\Phi^2(qr)\,d\Omega 
     24           + \text{background} 
    2325 
    2426where 
    … …  
    3840 .. math:: 
    3941 
    40      \langle\Phi^2\rangle = \int_0^{2\pi} \int_{-\pi/2}^{\pi/2} \Phi^2(qr) \cos \gamma\,d\gamma d\phi 
     42     \langle\Phi^2\rangle = \int_0^{2\pi} \int_{-\pi/2}^{\pi/2} \Phi^2(qr) 
     43                                                \cos \gamma\,d\gamma d\phi 
    4144 
    4245with $e = \cos\gamma \sin\phi$, $f = \cos\gamma \cos\phi$ and $g = \sin\gamma$. 
    … …  
    6972.. figure:: img/elliptical_cylinder_angle_definition.png 
    7073 
    71     Definition of angles for oriented triaxial ellipsoid, where radii shown here are $a < b << c$ 
    72     and angle $\Psi$ is a rotation around the axis of the particle. 
     74    Definition of angles for oriented triaxial ellipsoid, where radii shown 
     75    here are $a < b << c$ and angle $\Psi$ is a rotation around the axis 
     76    of the particle. 
    7377 
    7478The angle $\psi$ is the rotational angle around its own $c$ axis 
    … …  
    115119* **Last Reviewed by:** Paul Kienzle & Richard Heenan **Date:**  April 4, 2017 
    116120 
    117 """ 
    118  
    119121from numpy import inf, sin, cos, pi 
    120122 
    … …  
    122124title = "Ellipsoid of uniform scattering length density with three independent axes." 
    123125 
    124 description = """\ 
     126description = """ 
    125127Note: During fitting ensure that the inequality ra<rb<rc is not 
    126128        violated. Otherwise the calculation will 
    … …  
    157159    from .ellipsoid import ER as ellipsoid_ER 
    158160 
    159     # now that radii can be in any size order, radii need sorting a,b,c where a~b and c is either much smaller 
    160     # or much larger 
     161    # now that radii can be in any size order, radii need sorting a,b,c 
     162    # where a~b and c is either much smaller or much larger 
    161163    radii = np.vstack((radius_equat_major, radius_equat_minor, radius_polar)) 
    162164    radii = np.sort(radii, axis=0) 
    … …  
    178180 
    179181q = 0.1 
    180 # april 6 2017, rkh add unit tests, NOT compared with any other calc method, assume correct! 
     182# april 6 2017, rkh add unit tests 
     183#     NOT compared with any other calc method, assume correct! 
    181184# add 2d test after pull #890 
    182185qx = q*cos(pi/6.0) 

  • sasmodels/models/barbell.py

    r0b56f38 r9b79f29  
    108108              ["radius",      "Ang",         20, [0, inf],    "volume",      "Cylindrical bar radius"], 
    109109              ["length",      "Ang",        400, [0, inf],    "volume",      "Cylinder bar length"], 
    110               ["theta",       "degrees",     60, [-inf, inf], "orientation", "In plane angle"], 
    111               ["phi",         "degrees",     60, [-inf, inf], "orientation", "Out of plane angle"], 
     110              ["theta",       "degrees",     60, [-360, 360], "orientation", "Barbell axis to beam angle"], 
     111              ["phi",         "degrees",     60, [-360, 360], "orientation", "Rotation about beam"], 
    112112             ] 
    113113# pylint: enable=bad-whitespace, line-too-long 

  • sasmodels/models/bcc_paracrystal.py

    r1f65db5 r9b79f29  
    123123              ["sld",         "1e-6/Ang^2",  4,    [-inf, inf], "sld",         "Particle scattering length density"], 
    124124              ["sld_solvent", "1e-6/Ang^2",  1,    [-inf, inf], "sld",         "Solvent scattering length density"], 
    125               ["theta",       "degrees",    60,    [-inf, inf], "orientation", "In plane angle"], 
    126               ["phi",         "degrees",    60,    [-inf, inf], "orientation", "Out of plane angle"], 
    127               ["psi",         "degrees",    60,    [-inf, inf], "orientation", "Out of plane angle"] 
     125              ["theta",       "degrees",    60,    [-360, 360], "orientation", "c axis to beam angle"], 
     126              ["phi",         "degrees",    60,    [-360, 360], "orientation", "rotation about beam"], 
     127              ["psi",         "degrees",    60,    [-360, 360], "orientation", "rotation about c axis"] 
    128128             ] 
    129129# pylint: enable=bad-whitespace, line-too-long 

  • sasmodels/models/capped_cylinder.py

    r0b56f38 r9b79f29  
    129129              ["radius_cap", "Ang",     20, [0, inf],    "volume", "Cap radius"], 
    130130              ["length",     "Ang",    400, [0, inf],    "volume", "Cylinder length"], 
    131               ["theta",      "degrees", 60, [-inf, inf], "orientation", "inclination angle"], 
    132               ["phi",        "degrees", 60, [-inf, inf], "orientation", "deflection angle"], 
     131              ["theta",      "degrees", 60, [-360, 360], "orientation", "cylinder axis to beam angle"], 
     132              ["phi",        "degrees", 60, [-360, 360], "orientation", "rotation about beam"], 
    133133             ] 
    134134# pylint: enable=bad-whitespace, line-too-long 

  • sasmodels/models/core_shell_bicelle.py

    r0b56f38 r9b79f29  
    4747.. math:: 
    4848 
    49         \begin{align}     
     49    \begin{align}     
    5050    F(Q,\alpha) = &\bigg[  
    5151    (\rho_c - \rho_f) V_c \frac{2J_1(QRsin \alpha)}{QRsin\alpha}\frac{sin(QLcos\alpha/2)}{Q(L/2)cos\alpha} \\ 
    … …  
    6969.. figure:: img/cylinder_angle_definition.jpg 
    7070 
    71     Definition of the angles for the oriented core shell bicelle tmodel. 
     71    Definition of the angles for the oriented core shell bicelle model, 
     72    note that the cylinder axis of the bicelle starts along the beam direction 
     73    when $\theta  = \phi = 0$. 
    7274 
    7375 
    … …  
    135137    ["sld_rim",        "1e-6/Ang^2", 4, [-inf, inf], "sld",         "Cylinder rim scattering length density"], 
    136138    ["sld_solvent",    "1e-6/Ang^2", 1, [-inf, inf], "sld",         "Solvent scattering length density"], 
    137     ["theta",          "degrees",   90, [-inf, inf], "orientation", "In plane angle"], 
    138     ["phi",            "degrees",    0, [-inf, inf], "orientation", "Out of plane angle"], 
     139    ["theta",          "degrees",   90, [-360, 360], "orientation", "cylinder axis to beam angle"], 
     140    ["phi",            "degrees",    0, [-360, 360], "orientation", "rotation about beam"] 
    139141    ] 
    140142 
    … …  
    160162qy = q*sin(pi/6.0) 
    161163tests = [[{}, 0.05, 7.4883545957], 
    162         [{'theta':80., 'phi':10.}, (qx, qy), 2.81048892474 ], 
     164        [{'theta':80., 'phi':10.}, (qx, qy), 2.81048892474 ] 
    163165        ] 
    164166del qx, qy  # not necessary to delete, but cleaner 

  • sasmodels/models/core_shell_bicelle_elliptical.py

    r16a8c63 r9b79f29  
    119119    ["radius",         "Ang",       30, [0, inf],    "volume",      "Cylinder core radius"], 
    120120    ["x_core",        "None",       3,  [0, inf],    "volume",      "axial ratio of core, X = r_polar/r_equatorial"], 
    121     ["thick_rim",  "Ang",        8, [0, inf],    "volume",      "Rim shell thickness"], 
    122     ["thick_face", "Ang",       14, [0, inf],    "volume",      "Cylinder face thickness"], 
    123     ["length",         "Ang",      50, [0, inf],    "volume",      "Cylinder length"], 
     121    ["thick_rim",  "Ang",            8, [0, inf],    "volume",      "Rim shell thickness"], 
     122    ["thick_face", "Ang",           14, [0, inf],    "volume",      "Cylinder face thickness"], 
     123    ["length",         "Ang",       50, [0, inf],    "volume",      "Cylinder length"], 
    124124    ["sld_core",       "1e-6/Ang^2", 4, [-inf, inf], "sld",         "Cylinder core scattering length density"], 
    125125    ["sld_face",       "1e-6/Ang^2", 7, [-inf, inf], "sld",         "Cylinder face scattering length density"], 
    126126    ["sld_rim",        "1e-6/Ang^2", 1, [-inf, inf], "sld",         "Cylinder rim scattering length density"], 
    127127    ["sld_solvent",    "1e-6/Ang^2", 6, [-inf, inf], "sld",         "Solvent scattering length density"], 
    128     ["theta",          "degrees",   90, [-360, 360], "orientation", "In plane angle"], 
    129     ["phi",            "degrees",    0, [-360, 360], "orientation", "Out of plane angle"], 
    130     ["psi",            "degrees",    0, [-360, 360], "orientation", "Major axis angle relative to Q"], 
     128    ["theta",       "degrees",    90.0, [-360, 360], "orientation", "cylinder axis to beam angle"], 
     129    ["phi",         "degrees",    0,    [-360, 360], "orientation", "rotation about beam"], 
     130    ["psi",         "degrees",    0,    [-360, 360], "orientation", "rotation about cylinder axis"] 
    131131    ] 
    132132 

  • sasmodels/models/core_shell_cylinder.py

    r0b56f38 r9b79f29  
    117117              ["length", "Ang", 400, [0, inf], "volume", 
    118118               "Cylinder length"], 
    119               ["theta", "degrees", 60, [-inf, inf], "orientation", 
    120                "In plane angle"], 
    121               ["phi", "degrees", 60, [-inf, inf], "orientation", 
    122                "Out of plane angle"], 
     119              ["theta", "degrees", 60, [-360, 360], "orientation", 
     120               "cylinder axis to beam angle"], 
     121              ["phi", "degrees",   60, [-360, 360], "orientation", 
     122               "rotation about beam"], 
    123123             ] 
    124124 

  • sasmodels/models/core_shell_ellipsoid.py

    rdaeef4c r9b79f29  
    132132    ["sld_shell",     "1e-6/Ang^2", 1,   [-inf, inf], "sld",         "Shell scattering length density"], 
    133133    ["sld_solvent",   "1e-6/Ang^2", 6.3, [-inf, inf], "sld",         "Solvent scattering length density"], 
    134     ["theta",         "degrees",    0,   [-inf, inf], "orientation", "Oblate orientation wrt incoming beam"], 
    135     ["phi",           "degrees",    0,   [-inf, inf], "orientation", "Oblate orientation in the plane of the detector"], 
     134    ["theta",         "degrees",    0,   [-360, 360], "orientation", "elipsoid axis to beam angle"], 
     135    ["phi",           "degrees",    0,   [-360, 360], "orientation", "rotation about beam"], 
    136136    ] 
    137137# pylint: enable=bad-whitespace, line-too-long 

  • sasmodels/models/core_shell_parallelepiped.py

    r1f65db5 r9b79f29  
    153153              ["thick_rim_c", "Ang", 10, [0, inf], "volume", 
    154154               "Thickness of C rim"], 
    155               ["theta", "degrees", 0, [-inf, inf], "orientation", 
    156                "In plane angle"], 
    157               ["phi", "degrees", 0, [-inf, inf], "orientation", 
    158                "Out of plane angle"], 
    159               ["psi", "degrees", 0, [-inf, inf], "orientation", 
    160                "Rotation angle around its own c axis against q plane"], 
     155              ["theta", "degrees", 0, [-360, 360], "orientation", 
     156               "c axis to beam angle"], 
     157              ["phi", "degrees", 0, [-360, 360], "orientation", 
     158               "rotation about beam"], 
     159              ["psi", "degrees", 0, [-360, 360], "orientation", 
     160               "rotation about c axis"], 
    161161             ] 
    162162 

  • sasmodels/models/cylinder.py

    r3fd0499 r9b79f29  
    127127              ["length", "Ang", 400, [0, inf], "volume", 
    128128               "Cylinder length"], 
    129               ["theta", "degrees", 60, [-inf, inf], "orientation", 
    130                "latitude"], 
    131               ["phi", "degrees", 60, [-inf, inf], "orientation", 
    132                "longitude"], 
     129              ["theta", "degrees", 60, [-360, 360], "orientation", 
     130               "cylinder axis to beam angle"], 
     131              ["phi", "degrees",   60, [-360, 360], "orientation", 
     132               "rotation about beam"], 
    133133             ] 
    134134 

  • sasmodels/models/ellipsoid.py

    r0b56f38 r9b79f29  
    151151              ["radius_equatorial", "Ang", 400, [0, inf], "volume", 
    152152               "Equatorial radius"], 
    153               ["theta", "degrees", 60, [-inf, inf], "orientation", 
    154                "In plane angle"], 
    155               ["phi", "degrees", 60, [-inf, inf], "orientation", 
    156                "Out of plane angle"], 
     153              ["theta", "degrees", 60, [-360, 360], "orientation", 
     154               "ellipsoid axis to beam angle"], 
     155              ["phi", "degrees", 60, [-360, 360], "orientation", 
     156               "rotation about beam"], 
    157157             ] 
    158158 

  • sasmodels/models/elliptical_cylinder.py

    r16a8c63 r9b79f29  
    126126              ["sld",         "1e-6/Ang^2", 4.0,   [-inf, inf], "sld",         "Cylinder scattering length density"], 
    127127              ["sld_solvent", "1e-6/Ang^2", 1.0,   [-inf, inf], "sld",         "Solvent scattering length density"], 
    128               ["theta",       "degrees",    90.0,  [-360, 360], "orientation", "In plane angle"], 
    129               ["phi",         "degrees",    0,     [-360, 360], "orientation", "Out of plane angle"], 
    130               ["psi",         "degrees",    0,     [-360, 360], "orientation", "Major axis angle relative to Q"]] 
     128              ["theta",       "degrees",    90.0,  [-360, 360], "orientation", "cylinder axis to beam angle"], 
     129              ["phi",         "degrees",    0,     [-360, 360], "orientation", "rotation about beam"], 
     130              ["psi",         "degrees",    0,     [-360, 360], "orientation", "rotation about cylinder axis"]] 
    131131 
    132132# pylint: enable=bad-whitespace, line-too-long 

  • sasmodels/models/fcc_paracrystal.py

    r1f65db5 r9b79f29  
    111111              ["sld", "1e-6/Ang^2", 4, [-inf, inf], "sld", "Particle scattering length density"], 
    112112              ["sld_solvent", "1e-6/Ang^2", 1, [-inf, inf], "sld", "Solvent scattering length density"], 
    113               ["theta", "degrees", 60, [-inf, inf], "orientation", "In plane angle"], 
    114               ["phi", "degrees", 60, [-inf, inf], "orientation", "Out of plane angle"], 
    115               ["psi", "degrees", 60, [-inf, inf], "orientation", "Out of plane angle"] 
     113              ["theta",       "degrees",    60,    [-360, 360], "orientation", "c axis to beam angle"], 
     114              ["phi",         "degrees",    60,    [-360, 360], "orientation", "rotation about beam"], 
     115              ["psi",         "degrees",    60,    [-360, 360], "orientation", "rotation about c axis"] 
    116116             ] 
    117117# pylint: enable=bad-whitespace, line-too-long 

  • sasmodels/models/hollow_cylinder.py

    r0b56f38 r9b79f29  
    8282    ["sld",         "1/Ang^2",  6.3, [-inf, inf], "sld",         "Cylinder sld"], 
    8383    ["sld_solvent", "1/Ang^2",  1,   [-inf, inf], "sld",         "Solvent sld"], 
    84     ["theta",       "degrees", 90,   [-360, 360], "orientation", "Theta angle"], 
    85     ["phi",         "degrees",  0,   [-360, 360], "orientation", "Phi angle"], 
     84    ["theta",       "degrees", 90,   [-360, 360], "orientation", "Cylinder axis to beam angle"], 
     85    ["phi",         "degrees",  0,   [-360, 360], "orientation", "Rotation about beam"], 
    8686    ] 
    8787# pylint: enable=bad-whitespace, line-too-long 
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