Changeset f12357f in sasmodels for sasmodels/models/pearl_necklace.py

Timestamp:

Feb 3, 2016 8:49:57 AM (8 years ago)

Author:

krzywon

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:

a17fe40

Parents:

8696a87

Message:

Modified the pearl_necklace model for better double precision accuracy
and added unit tests.

File:

• sasmodels/models/pearl_necklace.py (modified) (3 diffs)

sasmodels/models/pearl_necklace.py

@@ -58 +58 @@
 """
 
-from numpy import inf
+from numpy import inf, pi
 
 name = "pearl_necklace"
@@ -96 +96 @@
 
 source = ["lib/Si.c", "pearl_necklace.c"]
+# new flag to let the compiler know to never use single precision
+single = False
+
+def volume(radius, edge_separation, string_thickness, number_of_pearls):
+    """
+    Calculates the total particle volume of the necklace.
+    Redundant with form_volume.
+    """
+    number_of_strings = number_of_pearls - 1.0
+    string_vol = edge_separation * pi * pow((string_thickness / 2.0), 2.0)
+    pearl_vol = 4.0 /3.0 * pi * pow(radius, 3.0)
+    total_vol = number_of_strings * string_vol
+    total_vol += number_of_pearls * pearl_vol
+    return total_vol
+
+def ER(radius, edge_separation, string_thickness, number_of_pearls):
+    """
+    Calculation for effective radius.
+    """
+    tot_vol = volume(radius, edge_separation, string_thickness, number_of_pearls)
+    rad_out = pow((3.0*tot_vol/4.0/pi), 0.33333)
+    return rad_out
 
 # parameters for demo
@@ -114 +136 @@
                string_thickness='thick_string', sld='sld_pearl',
                string_sld='sld_string', edge_separation='edge_separation')
+
+tests = [[{}, 0.001, 17380.245], [{}, 'ER', 115.39502]]