Changeset 92dfe0c in sasmodels

Timestamp:

Mar 22, 2017 10:17:12 PM (8 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:

67595af

Parents:

d605080

Message:

core shell parallelepiped: adjust to new asymmetric orientation definition; start fixing docs. Refs #890.

Location:

sasmodels/models

Files:

• core_shell_parallelepiped.c (modified) (2 diffs)
• core_shell_parallelepiped.py (modified) (2 diffs)

sasmodels/models/core_shell_parallelepiped.c

@@ -134 +134 @@
     double psi)
 {
-    double q, cos_val_a, cos_val_b, cos_val_c;
-    ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, cos_val_c, cos_val_b, cos_val_a);
+    double q, zhat, yhat, xhat;
+    ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, xhat, yhat, zhat);
 
     // cspkernel in csparallelepiped recoded here
@@ -160 +160 @@
     double tc = length_a + 2.0*thick_rim_c;
     //handle arg=0 separately, as sin(t)/t -> 1 as t->0
-    double siA = sas_sinx_x(0.5*q*length_a*cos_val_a);
-    double siB = sas_sinx_x(0.5*q*length_b*cos_val_b);
-    double siC = sas_sinx_x(0.5*q*length_c*cos_val_c);
-    double siAt = sas_sinx_x(0.5*q*ta*cos_val_a);
-    double siBt = sas_sinx_x(0.5*q*tb*cos_val_b);
-    double siCt = sas_sinx_x(0.5*q*tc*cos_val_c);
+    double siA = sas_sinx_x(0.5*q*length_a*xhat);
+    double siB = sas_sinx_x(0.5*q*length_b*yhat);
+    double siC = sas_sinx_x(0.5*q*length_c*zhat);
+    double siAt = sas_sinx_x(0.5*q*ta*xhat);
+    double siBt = sas_sinx_x(0.5*q*tb*yhat);
+    double siCt = sas_sinx_x(0.5*q*tc*zhat);
     
 

sasmodels/models/core_shell_parallelepiped.py

@@ -44 +44 @@
 
     F_{a}(Q,\alpha,\beta)=
-    \Bigg(\frac{sin(Q(L_A+2t_A)/2sin\alpha sin\beta)}{Q(L_A+2t_A)/2sin\alpha
-    sin\beta)}
-    - \frac{sin(QL_A/2sin\alpha sin\beta)}{QL_A/2sin\alpha sin\beta)} \Bigg)
-    + \frac{sin(QL_B/2sin\alpha sin\beta)}{QL_B/2sin\alpha sin\beta)}
-    + \frac{sin(QL_C/2sin\alpha sin\beta)}{QL_C/2sin\alpha sin\beta)}
+    \left[\frac{\sin(Q(L_A+2t_A)/2\sin\alpha \sin\beta)}{Q(L_A+2t_A)/2\sin\alpha\sin\beta}
+    - \frac{\sin(QL_A/2\sin\alpha \sin\beta)}{QL_A/2\sin\alpha \sin\beta} \right]
+    \left[\frac{\sin(QL_B/2\sin\alpha \sin\beta)}{QL_B/2\sin\alpha \sin\beta} \right]
+    \left[\frac{\sin(QL_C/2\sin\alpha \sin\beta)}{QL_C/2\sin\alpha \sin\beta} \right]
 
 .. note::
@@ -58 +57 @@
 
 FITTING NOTES
-If the scale is set equal to the particle volume fraction, |phi|, the returned
+If the scale is set equal to the particle volume fraction, $\phi$, the returned
 value is the scattered intensity per unit volume, $I(q) = \phi P(q)$.
 However, **no interparticle interference effects are included in this