Changeset 65279d8 in sasmodels

Timestamp:

Apr 7, 2016 12:05:21 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:

3a45c2c, 416609b

Parents:

e6408d0

Message:

vectorize poly_gauss_coil

Location:

sasmodels/models

Files:

• broad_peak.py (modified) (1 diff)
• poly_gauss_coil.py (modified) (2 diffs)

sasmodels/models/broad_peak.py

@@ -101 +101 @@
     """
     return Iq(sqrt(qx ** 2 + qy ** 2), *args)
-
 Iqxy.vectorized = True # Iqxy accepts an array of qx, qy values
 

sasmodels/models/poly_gauss_coil.py

@@ -50 +50 @@
 """
 
-from numpy import inf, sqrt, exp, power
+import numpy as np
+from numpy import inf, exp, power, sqrt
 
 name =  "poly_gauss_coil"
@@ -70 +71 @@
     # pylint: disable = missing-docstring
     u = polydispersity - 1.0
-    z = ((q * radius_gyration) * (q * radius_gyration)) / (1.0 + 2.0 * u)
-    if (q == 0).any():
-        inten = i_zero
+    z = (q*radius_gyration)**2 / (1.0 + 2.0*u)
+    # need to trap the case of the polydispersity being 1 (ie, monodispersity!)
+    if polydispersity == 1.0:
+        inten = i_zero * 2.0 * (exp(-z) + z - 1.0)
     else:
-    # need to trap the case of the polydispersity being 1 (ie, monodispersity!)
-        if polydispersity == 1:
-            inten = i_zero * 2.0 * (exp(-z) + z - 1.0 ) / (z * z)
-        else:
-            minusoneonu = -1.0 / u
-            inten = i_zero * 2.0 * (power((1.0 + u * z),minusoneonu) + z - 1.0 ) / ((1.0 + u) * (z * z))
+        inten = i_zero * 2.0 * (power(1.0 + u*z, -1.0/u) + z - 1.0) / (1.0 + u)
+    index = q != 0.
+    inten[~index] = i_zero
+    inten[index] /= z[index]**2
     return inten
-#Iq.vectorized =  True  # Iq accepts an array of q values
+Iq.vectorized =  True  # Iq accepts an array of q values
 
 def Iqxy(qx, qy, *args):
     # pylint: disable = missing-docstring
     return Iq(sqrt(qx ** 2 + qy ** 2), *args)
-#Iqxy.vectorized = True # Iqxy accepts an array of qx, qy values
+Iqxy.vectorized = True # Iqxy accepts an array of qx, qy values
 
 demo =  dict(scale = 1.0,