Changeset 062c56d in sasmodels

Timestamp:

Nov 24, 2015 3:41:47 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:

b514adf

Parents:

5753e4e

git-author:

Paul Kienzle <pkienzle@…> (11/24/15 15:38:56)

git-committer:

Paul Kienzle <pkienzle@…> (11/24/15 15:41:47)

Message:

allow negative I(q) in models

Location:

sasmodels

Files:

• kernel_template.c (modified) (4 diffs)
• kernelpy.py (modified) (3 diffs)

sasmodels/kernel_template.c

@@ -125 +125 @@
     if (weight > cutoff) {
       const double scattering = Iq(qi, IQ_PARAMETERS);
-      if (scattering >= 0.0) { // scattering cannot be negative
+      //if (scattering >= 0.0) { // scattering cannot be negative
         ret += weight*scattering;
         norm += weight;
@@ -133 +133 @@
         norm_vol += vol_weight;
       #endif
-      }
+      //}
     //else { printf("exclude qx,qy,I:%%g,%%g,%%g\n",qi,scattering); }
     }
@@ -198 +198 @@
 
       const double scattering = Iqxy(qxi, qyi, IQXY_PARAMETERS);
-      if (scattering >= 0.0) { // scattering cannot be negative
+      //if (scattering >= 0.0) { // scattering cannot be negative
         // TODO: use correct angle for spherical correction
         // Definition of theta and phi are probably reversed relative to the
@@ -219 +219 @@
       #endif
         norm_vol += vol_weight;
-      }
+      //}
       //else { printf("exclude qx,qy,I:%%g,%%g,%%g\n",qi,scattering); }
     }

sasmodels/kernelpy.py

@@ -211 +211 @@
         if w > cutoff:
             I = form(*args)
-            positive = (I >= 0.0)
+            #positive = (I >= 0.0)
 
             # Note: can precompute spherical correction if theta_index is not
@@ -219 +219 @@
                                     if theta_index >= 0 else 1.0)
             #spherical_correction = 1.0
-            ret += w * I * spherical_correction * positive
-            norm += w * positive
+            ret += w * I * spherical_correction #* positive
+            norm += w #* positive
 
             # Volume normalization.
@@ -230 +230 @@
                 vol_args = [args[index] for index in vol_index]
                 vol_weight = np.prod(weight[vol_weight_index])
-                vol += vol_weight * form_volume(*vol_args) * positive
-                vol_norm += vol_weight * positive
+                vol += vol_weight * form_volume(*vol_args) #* positive
+                vol_norm += vol_weight #* positive
 
     positive = (vol * vol_norm != 0.0)