Changeset 0f00d95 in sasmodels

Timestamp:

Jul 28, 2016 4:47:07 PM (8 years ago)

Author:

Paul Kienzle <pkienzle@…>

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:

4f1f876

Parents:

2547694

Message:

tweak spherical correction implementation

Location:

sasmodels

Files:

• generate.py (modified) (1 diff)
• kernel_iq.c (modified) (2 diffs)
• kernel_iq.cl (modified) (2 diffs)

sasmodels/generate.py

@@ -166 +166 @@
 import re
 import string
-import warnings
 
 import numpy as np  # type: ignore

sasmodels/kernel_iq.c

@@ -173 +173 @@
 
 
-  double spherical_correction=1.0;
+#if MAX_PD>0
   const int theta_par = details->theta_par;
-#if MAX_PD>0
   const int fast_theta = (theta_par == p0);
   const int slow_theta = (theta_par >= 0 && !fast_theta);
+  double spherical_correction = 1.0;
 #else
-  const int slow_theta = (theta_par >= 0);
+  // Note: if not polydisperse the weights cancel and we don't need the
+  // spherical correction.
+  const double spherical_correction = 1.0;
 #endif
 
@@ -218 +220 @@
     const double weight1 = 1.0;
 #endif
-    if (slow_theta) { // Theta is not in inner loop
-      spherical_correction = fmax(fabs(cos(M_PI_180*pvec[theta_par])), 1.e-6);
-    }
-#if MAX_PD>0
+#if MAX_PD>0
+  if (slow_theta) { // Theta is not in inner loop
+    spherical_correction = fmax(fabs(cos(M_PI_180*pvec[theta_par])), 1.e-6);
+  }
   while(i0 < n0) {
     pvec[p0] = v0[i0];

sasmodels/kernel_iq.cl

@@ -166 +166 @@
 
 
-  double spherical_correction=1.0;
+#if MAX_PD>0
   const int theta_par = details->theta_par;
-#if MAX_PD>0
-  const int fast_theta = (theta_par == p0);
-  const int slow_theta = (theta_par >= 0 && !fast_theta);
+  const bool fast_theta = (theta_par == p0);
+  const bool slow_theta = (theta_par >= 0 && !fast_theta);
+  double spherical_correction = 1.0;
 #else
-  const int slow_theta = (theta_par >= 0);
+  // Note: if not polydisperse the weights cancel and we don't need the
+  // spherical correction.
+  const double spherical_correction = 1.0;
 #endif
 
@@ -211 +213 @@
     const double weight1 = 1.0;
 #endif
-    if (slow_theta) { // Theta is not in inner loop
-      spherical_correction = fmax(fabs(cos(M_PI_180*pvec[theta_par])), 1.e-6);
-    }
-#if MAX_PD>0
+#if MAX_PD>0
+  if (slow_theta) { // Theta is not in inner loop
+    spherical_correction = fmax(fabs(cos(M_PI_180*pvec[theta_par])), 1.e-6);
+  }
   while(i0 < n0) {
     pvec[p0] = v0[i0];