Changeset ee60aa7 in sasmodels for sasmodels/models/parallelepiped.py

Timestamp:

Sep 10, 2018 4:16:46 PM (6 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

master, core_shell_microgels, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

d299327

Parents:

3f818b2

Message:

clean up effective radius functions; improve mono_gauss_coil accuracy; start moving VR into C

File:

• sasmodels/models/parallelepiped.py (modified) (2 diffs)

sasmodels/models/parallelepiped.py

@@ -140 +140 @@
    ensuring that the inequality $A < B < C$ is not violated,  The calculation
    will not report an error, but the results may be not correct.
-   
+
 .. _parallelepiped-orientation:
 
@@ -231 +231 @@
 source = ["lib/gauss76.c", "parallelepiped.c"]
 have_Fq = True
-effective_radius_type = ["equivalent sphere","half length_a", "half length_b", "half length_c",
-                         "equivalent circular cross-section","half ab diagonal","half diagonal"]
-
-#def ER(length_a, length_b, length_c):
-#    """
-#    Return effective radius (ER) for P(q)*S(q)
-#    """
-#    # now that axes can be in any size order, need to sort a,b,c
-#    # where a~b and c is either much smaller or much larger
-#    abc = np.vstack((length_a, length_b, length_c))
-#    abc = np.sort(abc, axis=0)
-#    selector = (abc[1] - abc[0]) > (abc[2] - abc[1])
-#    length = np.where(selector, abc[0], abc[2])
-#    # surface average radius (rough approximation)
-#    radius = sqrt(np.where(~selector, abc[0]*abc[1], abc[1]*abc[2]) / pi)
-#
-#    ddd = 0.75 * radius * (2*radius*length + (length + radius)*(length + pi*radius))
-#    return 0.5 * (ddd) ** (1. / 3.)
-
-# VR defaults to 1.0
-
+effective_radius_type = [
+    "equivalent sphere", "half length_a", "half length_b", "half length_c",
+    "equivalent circular cross-section", "half ab diagonal", "half diagonal",
+    ]
 
 def random():