Changeset a0494e9 in sasmodels

Timestamp:

Jul 18, 2016 11:43:54 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:

c7ff92c

Parents:

263daec

Message:

allow comparison between onion/spherical_sld and sasview

Location:

sasmodels

Files:

• convert.json (modified) (2 diffs)
• convert.py (modified) (3 diffs)
• models/onion.py (modified) (3 diffs)
• models/spherical_sld.py (modified) (2 diffs)

sasmodels/convert.json

@@ -475 +475 @@
   ], 
   "onion": [
-    "OnionModel",
-    {
+    "OnionExpShellModel",
+    {
+      "n_shells": "n_shells",
       "A": "A_shell", 
       "sld_core": "sld_core0",
-      "core_radius": "rad_core0", 
-      "n": "n_shells",
+      "core_radius": "rad_core0",
       "sld_solvent": "sld_solv",
       "thickness": "thick_shell", 
@@ -636 +636 @@
   ],
   "spherical_sld": [
-    "SphereSLDModel", 
-    {
-      "n": "n_shells",
-      "radius_core": "rad_core", 
+    "SphericalSLDModel",
+    {
+      "radius_core": "rad_core0",
+      "sld_core": "sld_core0",
       "sld_solvent": "sld_solv"
     }

sasmodels/convert.py

@@ -243 +243 @@
             _remove_pd(oldpars, 'rimB', name)
             _remove_pd(oldpars, 'rimC', name)
+        elif name == 'spherical_sld':
+            for k in range(1, int(pars['n_shells'])+1):
+                _remove_pd(oldpars, 'thick_flat'+str(k), 'thick_flat')
+                _remove_pd(oldpars, 'thick_inter'+str(k), 'thick_inter')
         elif name == 'rpa':
             # convert scattering lengths from femtometers to centimeters
@@ -263 +267 @@
         elif name in ['mono_gauss_coil','poly_gauss_coil']:
             del oldpars['i_zero']
+        elif name == 'onion':
+            oldpars.pop('n_shells', None)
 
     return oldpars
@@ -302 +308 @@
         elif name == 'core_multi_shell':
             pars['n'] = min(math.ceil(pars['n']), 4)
-
+        elif name == 'spherical_sld':
+            for k in range(1, 11):
+                pars['thick_flat%d_pd_n'%k] = 0
+                pars['thick_inter%d_pd_n'%k] = 0
+

sasmodels/models/onion.py

@@ -312 +312 @@
 
 source = ["lib/sph_j1c.c", "onion.c"]
+single = False
 
 #def Iq(q, *args, **kw):
@@ -375 +376 @@
     "sld_core": 1.0,
     "core_radius": 100,
-    "n": 4,
+    "n_shells": 4,
     "sld_in": [0.5, 1.5, 0.9, 2.0],
     "sld_out": [nan, 0.9, 1.2, 1.6],
@@ -381 +382 @@
     "A": [0, -1, 1e-4, 1],
     # Could also specify them individually as
-    # "A[1]": 0, "A[2]": -1, "A[3]": 1e-4, "A[4]": 1,
+    # "A1": 0, "A2": -1, "A3": 1e-4, "A4": 1,
     }
 

sasmodels/models/spherical_sld.py

@@ -202 +202 @@
 # pylint: disable=bad-whitespace, line-too-long
 #            ["name", "units", default, [lower, upper], "type", "description"],
-parameters = [["n_shells",          "",               1,      [0, 9],         "volume", "number of shells"],
-              ["npts_inter",        "",               35,     [0, inf],        "", "number of points in each sublayer Must be odd number"],
+parameters = [["n_shells",          "",               1,      [0, 10],        "volume", "number of shells"],
+              ["npts_inter",        "",               35,     [0, inf],       "", "number of points in each sublayer Must be odd number"],
               ["radius_core",       "Ang",            50.0,   [0, inf],       "volume", "intern layer thickness"],
               ["sld_core",          "1e-6/Ang^2",     2.07,   [-inf, inf],    "", "sld function flat"],
@@ -218 +218 @@
 # pylint: enable=bad-whitespace, line-too-long
 source = ["lib/librefl.c",  "lib/sph_j1c.c", "spherical_sld.c"]
+single = False
 
 profile_axes = ['Radius (A)', 'SLD (1e-6/A^2)']