Changeset 64ca163 in sasmodels for explore

Timestamp:

Apr 20, 2017 11:59:12 AM (7 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

master, core_shell_microgels, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

4a43871

Parents:

7e0b281

Message:

add code to switch between sc/bcc/fcc in explore/sc.c

File:

• explore/sc.c (modified) (3 diffs)

explore/sc.c

@@ -4 +4 @@
     // Rewriting equations for efficiency, accuracy and readability, and so
     // code is reusable between 1D and 2D models.
+    #if 1  // SC
     const double a1 = qa;
     const double a2 = qb;
     const double a3 = qc;
+    #elif 1 // BCC
+    const double a1 = (+qa + qb + qc)/2.;
+    const double a2 = (-qa - qb + qc)/2.;
+    const double a3 = (-qa + qb - qc)/2.;
+    #elif 1 // FCC
+    const double a1 = ( qa + qb)/2.0;
+    const double a2 = (-qa + qc)/2.0;
+    const double a3 = (-qa + qb)/2.0;
+    #endif
 
     const double arg = -0.5*square(dnn*d_factor)*(a1*a1 + a2*a2 + a3*a3);
@@ -113 +123 @@
 }
 
-    return Zq;
+    //return Zq;
     const double Pq = sphere_form(q, radius, sld, solvent_sld);
     return sc_volume_fraction(radius, dnn) * Pq * Zq;
@@ -134 +144 @@
     const double Pq = sphere_form(q, radius, sld, solvent_sld);
     const double Zq = sc_Zq(qa, qb, qc, dnn, d_factor);
+    return Zq;
     return sc_volume_fraction(radius, dnn) * Pq * Zq;
 }