Changeset 4c2c535 in sasmodels

Timestamp:

Dec 21, 2015 12:26:36 PM (9 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:

cade620

Parents:

c138211

Message:

return NAN to signal invalid kernel parameters (for python as well)

File:

• sasmodels/kernelpy.py (modified) (3 diffs)

sasmodels/kernelpy.py

@@ -203 +203 @@
             args[pd_index[0]] = fast_value[fast_index]
             weight[0] = fast_weight[fast_index]
-        # This computes the weight, and if it is sufficient, calls the
-        # scattering function and adds it to the total.  If there is a volume
-        # normalization, it will also be added here.
-        # Note: make sure this is consistent with the code in PY_LOOP_BODY!!
-        # Note: can precompute w1*w2*...*wn
+
+        # Computes the weight, and if it is not sufficient then ignore this
+        # parameter set.
+        # Note: could precompute w1*...*wn so we only need to multiply by w0
         w = np.prod(weight)
         if w > cutoff:
-            I = form(*args)
-            #positive = (I >= 0.0)
-
             # Note: can precompute spherical correction if theta_index is not
             # the fast index. Correction factor for spherical integration
@@ -219 +215 @@
                                     if theta_index >= 0 else 1.0)
             #spherical_correction = 1.0
-            ret += w * I * spherical_correction #* positive
-            norm += w #* positive
+
+            # Call the scattering function and adds it to the total.
+            I = form(*args)
+            if np.isnan(I).any(): continue
+            ret += w * I * spherical_correction
+            norm += w
 
             # 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)
+                vol_norm += vol_weight
 
     positive = (vol * vol_norm != 0.0)