Changeset eda8b30 in sasmodels for sasmodels/models/elliptical_cylinder.py
- Timestamp:
- Oct 28, 2017 6:42:15 AM (6 years ago)
- Branches:
- master, core_shell_microgels, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
- Children:
- 5f8b72b
- Parents:
- da5536f
- File:
-
- 1 edited
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sasmodels/models/elliptical_cylinder.py
rd9ec8f9 reda8b30 1 1 # pylint: disable=line-too-long 2 2 r""" 3 Definition for 2D (orientated system)4 -------------------------------------5 6 The angles $\theta$ and $\phi$ define the orientation of the axis of the7 cylinder. The angle $\Psi$ is defined as the orientation of the major8 axis of the ellipse with respect to the vector $Q$. A gaussian polydispersity9 can be added to any of the orientation angles, and also for the minor10 radius and the ratio of the ellipse radii.11 3 12 4 .. figure:: img/elliptical_cylinder_geometry.png … … 44 36 45 37 46 Definition for 1D (no preferred orientation) 47 -------------------------------------------- 48 49 The form factor is averaged over all possible orientation before normalized 38 For 1D scattering, with no preferred orientation, the form factor is averaged over all possible orientations and normalized 50 39 by the particle volume 51 40 … … 54 43 P(q) = \text{scale} <F^2> / V 55 44 56 To provide easy access to the orientation of the elliptical cylinder, we 57 define the axis of the cylinder using two angles $\theta$, $\phi$ and $\Psi$ 58 (see :ref:`cylinder orientation <cylinder-angle-definition>`). The angle 59 $\Psi$ is the rotational angle around its own long_c axis. 45 For 2d data the orientation of the particle is required, described using a different set 46 of angles as in the diagrams below, for further details of the calculation and angular 47 dispersions see :ref:`orientation` . 60 48 61 All angle parameters are valid and given only for 2D calculation; ie, an62 oriented system.63 49 64 50 .. figure:: img/elliptical_cylinder_angle_definition.png 65 51 66 Definition of angles for oriented elliptical cylinder, where axis_ratio is drawn >1, 67 and angle $\Psi$ is now a rotation around the axis of the cylinder. 52 Note that the angles here are not the same as in the equations for the scattering function. 53 Rotation $\theta$, initially in the $xz$ plane, is carried out first, then 54 rotation $\phi$ about the $z$ axis, finally rotation $\Psi$ is now around the axis of the cylinder. 55 The neutron or X-ray beam is along the $z$ axis. 68 56 69 57 .. figure:: img/elliptical_cylinder_angle_projection.png … … 73 61 74 62 The $\theta$ and $\phi$ parameters to orient the cylinder only appear in the model when fitting 2d data. 75 On introducing "Orientational Distribution" in the angles, "distribution of theta" and "distribution of phi" parameters will 76 appear. These are actually rotations about the axes $\delta_1$ and $\delta_2$ of the cylinder, the $b$ and $a$ axes of the 77 cylinder cross section. (When $\theta = \phi = 0$ these are parallel to the $Y$ and $X$ axes of the instrument.) 78 The third orientation distribution, in $\psi$, is about the $c$ axis of the particle. Some experimentation may be required to 79 understand the 2d patterns fully. (Earlier implementations had numerical integration issues in some circumstances when orientation 80 distributions passed through 90 degrees, such situations, with very broad distributions, should still be approached with care.) 63 81 64 82 65 NB: The 2nd virial coefficient of the cylinder is calculated based on the
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