Changeset 348557a in sasmodels for sasmodels/models/hayter_msa.py

Timestamp:

Mar 16, 2016 11:41:50 AM (8 years ago)

Author:

richardh

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:

5041682

Parents:

91c5fdc

Message:

rkh new hayter_msa, new squarewell, unit test to lamellar

File:

• sasmodels/models/hayter_msa.py (moved) (moved from sasmodels/models/HayterMSAsq.py) (4 diffs)

sasmodels/models/hayter_msa.py

@@ -45 +45 @@
 from numpy import inf
 
-source = ["HayterMSAsq_kernel.c"]
+source = ["hayter_msa_kernel.c"]
 
-name = "HayterMSAsq"
+name = "hayter_msa"
 title = "Hayter-Penfold MSA charged sphere interparticle S(Q) structure factor"
 description = """\
@@ -57 +57 @@
         parameters used in P(Q).
 """
-single = False  # double precision only for now
+single = False  # double precision only!
 
 # pylint: disable=bad-whitespace, line-too-long
@@ -99 +99 @@
             effect_radius_pd_n=40)
 #
-# attempt to use same values as old sasview unit test
+# attempt to use same values as old sasview unit test at Q=.001 was 0.0712928, 
+# then add lots new ones assuming values from new model are OK, need some low Q values to test the small Q Taylor expansion
 tests = [
     [{'scale': 1.0,
@@ -110 +111 @@
       'dielectconst': 78.0,
       'effect_radius_pd': 0},
-     [0.0010], [0.0712928]]
+     [0.00001,0.0010,0.01,0.075], [0.0711646,0.0712928,0.0847006,1.07150]],
+    [{'scale': 1.0,
+      'background': 0.0,
+      'effect_radius': 20.75,
+      'charge': 19.0,
+      'volfraction': 0.0192,
+      'temperature': 298.0,
+      'saltconc': 0.05,
+      'dielectconst': 78.0,
+      'effect_radius_pd': 0.1,
+      'effect_radius_pd_n': 40},
+     [0.00001,0.0010,0.01,0.075], [0.450272,0.450420,0.465116,1.039625]]
     ]