Changeset d138d43 in sasmodels for sasmodels/models/hollow_cylinder.py
- Timestamp:
- Nov 30, 2015 2:24:28 PM (8 years ago)
- Branches:
- master, core_shell_microgels, costrafo411, magnetic_model, release_v0.94, release_v0.95, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
- Children:
- eb69cce
- Parents:
- 1ec7efa
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
sasmodels/models/hollow_cylinder.py
r66ebdd6 rd138d43 1 1 r""" 2 This model provides the form factor, *P(q)*, for a monodisperse hollow right2 This model provides the form factor, $P(q)$, for a monodisperse hollow right 3 3 angle circular cylinder (tube) where the form factor is normalized by the 4 4 volume of the tube 5 5 6 *P(q)* = *scale* \* *<F*\ :sup:`2`\ *>* / *V*\ :sub:`shell` + *background* 6 .. math:: 7 7 8 where the averaging < > is applied only for the 1D calculation. 8 P(q) = \text{scale} \langle F^2 \rangle/V_\text{shell} + \text{background} 9 10 where the averaging $\langle \rangle$ is applied only for the 1D calculation. 9 11 10 12 The inside and outside of the hollow cylinder are assumed have the same SLD. … … 18 20 19 21 \begin{eqnarray} 20 P(q)&=&(\text{scale})V_{shell}(\Delta\rho)^2\int_0^{1}\Psi^2[q_z, 21 R_{shell}(1-x^2)^{1/2},R_{core}(1-x^2)^{1/2}][\frac{sin(qHx)}{qHx}]^2dx\\ 22 \Psi[q,y,z]&=&\frac{1}{1-\gamma^2}[\Lambda(qy)-\gamma^2\Lambda(qz)]\\ 23 \Lambda(a)&=&2J_1(a)/a\\ 24 \gamma&=&R_{core}/R_{shell}\\ 25 V_{shell}&=&\pi(R_{shell}^2-R_{core}^2)L\\ 26 J_1(x)&=&\frac{(sin(x)-x\cdot cos(x))}{x^2}\\ 22 P(q) &=& (\text{scale})V_\text{shell}\Delta\rho^2 23 \int_0^{1}\Psi^2 24 \left[q_z, R_\text{shell}(1-x^2)^{1/2}, 25 R_\text{core}(1-x^2)^{1/2}\right] 26 \left[\frac{\sin(qHx)}{qHx}\right]^2 dx \\ 27 \Psi[q,y,z] &=& \frac{1}{1-\gamma^2} 28 \left[ \Lambda(qy) - \gamma^2\Lambda(qz) \right] \\ 29 \Lambda(a) &=& 2 J_1(a) / a \\ 30 \gamma &=& R_\text{core} / R_\text{shell} \\ 31 V_\text{shell} &=& \pi \left(R_\text{shell}^2 - R_\text{core}^2 \right)L \\ 32 J_1(x) &=& \frac{(\sin(x)-x\cdot \cos(x))}{x^2} \\ 27 33 \end{eqnarray} 28 34 29 where *scale* is a scale factor and *J1* is the 1st order Bessel function. 35 where *scale* is a scale factor and $J_1$ is the 1st order 36 Bessel function. 30 37 31 38 To provide easy access to the orientation of the core-shell cylinder, we define 32 the axis of the cylinder using two angles |theta| and |phi|\ . As for the case39 the axis of the cylinder using two angles $\theta$ and $\phi$. As for the case 33 40 of the cylinder, those angles are defined in Figure 2 of the CylinderModel. 34 41 35 NB: The 2nd virial coefficient of the cylinder is calculated based on the radius 36 and 2 length values, and used as the effective radius for *S(Q)* when 37 *P(Q)* \* *S(Q)*is applied.42 **NB**: The 2nd virial coefficient of the cylinder is calculated 43 based on the radius and 2 length values, and used as the effective radius 44 for $S(Q)$ when $P(Q) * S(Q)$ is applied. 38 45 39 46 In the parameters, the contrast represents SLD :sub:`shell` - SLD :sub:`solvent` 40 and the *radius* = *R*\ :sub:`shell` while *core_radius* = *R*\ :sub:`core`.47 and the *radius* is $R_\text{shell}$ while *core_radius* is $R_\text{core}$. 41 48 42 .. image:: img/image074.jpg49 .. figure:: img/hollow_cylinder_1d.jpg 43 50 44 *Figure. 1D plot using the default values (w/1000 data point).* 51 1D plot using the default values (w/1000 data point). 45 52 46 Our model uses the form factor calculations implemented in a c-library provided 47 by the NIST Center for Neutron Research (Kline, 2006). 53 .. figure:: img/orientation.jpg 48 54 49 .. image:: img/image061.jpg 55 Definition of the angles for the oriented hollow_cylinder model. 50 56 51 *Figure. Definition of the angles for the oriented hollow_cylinder model.* 57 .. figure:: img/orientation2.jpg 52 58 53 .. image:: img/image062.jpg 59 Examples of the angles for oriented pp against the detector plane. 54 60 55 *Figure. Examples of the angles for oriented pp against the detector plane.* 56 57 REFERENCE 61 Reference 62 --------- 58 63 59 64 L A Feigin and D I Svergun, *Structure Analysis by Small-Angle X-Ray and
Note: See TracChangeset
for help on using the changeset viewer.