Ignore:
Timestamp:
Apr 8, 2017 4:32:39 AM (7 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:
afd4692, 3a45c2c
Parents:
16a8c63 (diff), b2921d0 (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:

Merge branch 'master' into ticket-890

File:
1 edited

Legend:

Unmodified
Added
Removed

  • sasmodels/models/core_shell_parallelepiped.py

    rcb0dc22 r1916c52  
    1010 
    1111.. note:: 
    12    This model was originally ported from NIST IGOR macros. However,t is not 
    13    yet fully understood by the SasView developers and is currently review. 
     12   This model was originally ported from NIST IGOR macros. However, it is not 
     13   yet fully understood by the SasView developers and is currently under review. 
    1414 
    1515The form factor is normalized by the particle volume $V$ such that 
    … …  
    4848amplitudes of the core and shell, in the same manner as a core-shell model. 
    4949 
     50.. math:: 
     51 
     52    F_{a}(Q,\alpha,\beta)= 
     53    \left[\frac{\sin(\tfrac{1}{2}Q(L_A+2t_A)\sin\alpha \sin\beta)}{\tfrac{1}{2}Q(L_A+2t_A)\sin\alpha\sin\beta} 
     54    - \frac{\sin(\tfrac{1}{2}QL_A\sin\alpha \sin\beta)}{\tfrac{1}{2}QL_A\sin\alpha \sin\beta} \right] 
     55    \left[\frac{\sin(\tfrac{1}{2}QL_B\sin\alpha \sin\beta)}{\tfrac{1}{2}QL_B\sin\alpha \sin\beta} \right] 
     56    \left[\frac{\sin(\tfrac{1}{2}QL_C\sin\alpha \sin\beta)}{\tfrac{1}{2}QL_C\sin\alpha \sin\beta} \right] 
    5057 
    5158.. note:: 
    5259 
     60    Why does t_B not appear in the above equation? 
    5361    For the calculation of the form factor to be valid, the sides of the solid 
    54     MUST be chosen such that** $A < B < C$. 
     62    MUST (perhaps not any more?) be chosen such that** $A < B < C$. 
    5563    If this inequality is not satisfied, the model will not report an error, 
    5664    but the calculation will not be correct and thus the result wrong. 
    5765 
    5866FITTING NOTES 
    59 If the scale is set equal to the particle volume fraction, |phi|, the returned 
     67If the scale is set equal to the particle volume fraction, $\phi$, the returned 
    6068value is the scattered intensity per unit volume, $I(q) = \phi P(q)$. 
    6169However, **no interparticle interference effects are included in this 
    … …  
    7381NB: The 2nd virial coefficient of the core_shell_parallelepiped is calculated 
    7482based on the the averaged effective radius $(=\sqrt{(A+2t_A)(B+2t_B)/\pi})$ 
    75 and length $(C+2t_C)$ values, and used as the effective radius 
    76 for $S(Q)$ when $P(Q) * S(Q)$ is applied. 
     83and length $(C+2t_C)$ values, after appropriately 
     84sorting the three dimensions to give an oblate or prolate particle, to give an  
     85effective radius, for $S(Q)$ when $P(Q) * S(Q)$ is applied. 
    7786 
    7887To provide easy access to the orientation of the parallelepiped, we define the 
    … …  
    8392*x*-axis of the detector. 
    8493 
    85 .. figure:: img/parallelepiped_angle_definition.jpg 
     94.. figure:: img/parallelepiped_angle_definition.png 
    8695 
    8796    Definition of the angles for oriented core-shell parallelepipeds. 
    8897 
    89 .. figure:: img/parallelepiped_angle_projection.jpg 
     98.. figure:: img/parallelepiped_angle_projection.png 
    9099 
    91100    Examples of the angles for oriented core-shell parallelepipeds against the 
    … …  
    112121 
    113122import numpy as np 
    114 from numpy import pi, inf, sqrt 
     123from numpy import pi, inf, sqrt, cos, sin 
    115124 
    116125name = "core_shell_parallelepiped" 
    … …  
    186195            psi_pd=10, psi_pd_n=1) 
    187196 
    188 qx, qy = 0.2 * np.cos(2.5), 0.2 * np.sin(2.5) 
     197# rkh 7/4/17 add random unit test for 2d, note make all params different, 2d values not tested against other codes or models 
     198qx, qy = 0.2 * cos(pi/6.), 0.2 * sin(pi/6.) 
    189199tests = [[{}, 0.2, 0.533149288477], 
    190200         [{}, [0.2], [0.533149288477]], 
    191          [{'theta':10.0, 'phi':10.0}, (qx, qy), 0.032102135569], 
    192          [{'theta':10.0, 'phi':10.0}, [(qx, qy)], [0.032102135569]], 
     201         [{'theta':10.0, 'phi':20.0}, (qx, qy), 0.0853299803222], 
     202         [{'theta':10.0, 'phi':20.0}, [(qx, qy)], [0.0853299803222]], 
    193203        ] 
    194204del qx, qy  # not necessary to delete, but cleaner 
Note: See TracChangeset for help on using the changeset viewer.