Changeset 15a90c1 in sasmodels for sasmodels/models/parallelepiped.py

Timestamp:

Apr 6, 2017 11:20:47 AM (7 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:

14207bb

Parents:

4aaf89a

Message:

more changes for new axes, and a bug in cylinder.py docs

File:

• sasmodels/models/parallelepiped.py (modified) (6 diffs)

sasmodels/models/parallelepiped.py

@@ -21 +21 @@
 .. note::
 
-   The edge of the solid must satisfy the condition that $A < B < C$.
-   This requirement is not enforced in the model, so it is up to the
-   user to check this during the analysis.
+   The edge of the solid used to have to satisfy the condition that $A < B < C$.
+   After some improvements to the effective radius calculation, used with an S(Q),
+   it is beleived that this is no longer the case. 
 
 The 1D scattering intensity $I(q)$ is calculated as:
@@ -71 +71 @@
 
 NB: The 2nd virial coefficient of the parallelepiped is calculated based on
-the averaged effective radius $(=\sqrt{A B / \pi})$ and
+the averaged effective radius, after appropriately
+sorting the three dimensions, to give an oblate or prolate particle, $(=\sqrt{A B / \pi})$ and
 length $(= C)$ values, and used as the effective radius for
 $S(q)$ when $P(q) \cdot S(q)$ is applied.
@@ -102 +103 @@
 .. _parallelepiped-orientation:
 
-.. figure:: img/parallelepiped_angle_definition.jpg
-
-    Definition of the angles for oriented parallelepipeds.
-
-.. figure:: img/parallelepiped_angle_projection.jpg
-
-    Examples of the angles for oriented parallelepipeds against the
+.. figure:: img/parallelepiped_angle_definition.png
+
+    Definition of the angles for oriented parallelepiped, shown with $A < B < C$.
+
+.. figure:: img/parallelepiped_angle_projection.png
+
+    Examples of the angles for an oriented parallelepiped against the
     detector plane.
 
@@ -116 +117 @@
 .. math::
 
-    P(q_x, q_y) = \left[\frac{\sin(qA\cos\alpha/2)}{(qA\cos\alpha/2)}\right]^2
-                  \left[\frac{\sin(qB\cos\beta/2)}{(qB\cos\beta/2)}\right]^2
-                  \left[\frac{\sin(qC\cos\gamma/2)}{(qC\cos\gamma/2)}\right]^2
+    P(q_x, q_y) = \left[\frac{\sin(\tfrac{1}{2}qA\cos\alpha)}{(\tfrac{1}{2}qA\cos\alpha)}\right]^2
+                  \left[\frac{\sin(\tfrac{1}{2}qB\cos\beta)}{(\tfrac{1}{2}qB\cos\beta)}\right]^2
+                  \left[\frac{\sin(\tfrac{1}{2}qC\cos\gamma)}{(\tfrac{1}{2}qC\cos\gamma)}\right]^2
 
 with
@@ -154 +155 @@
 angles.
 
-This model is based on form factor calculations implemented in a c-library
-provided by the NIST Center for Neutron Research (Kline, 2006).
 
 References
@@ -163 +162 @@
 
 R Nayuk and K Huber, *Z. Phys. Chem.*, 226 (2012) 837-854
+
+Authorship and Verification
+----------------------------
+
+* **Author:** This model is based on form factor calculations implemented in a c-library
+provided by the NIST Center for Neutron Research (Kline, 2006).
+* **Last Modified by:**  Paul Kienzle **Date:** April 05, 2017
+* **Last Reviewed by:**  Richard Heenan **Date:** April 06, 2017
+
 """