Changeset 5b0335b in sasmodels for sasmodels/models/spherical_sld.py

Timestamp:

Apr 4, 2016 11:36:11 AM (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:

68e7f9d

Parents:

885ee37 (diff), 204fd9b (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge remote-tracking branch 'origin/master' into polydisp

Conflicts:

sasmodels/core.py
sasmodels/models/spherical_sld.py

File:

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

sasmodels/models/spherical_sld.py

@@ -168 +168 @@
 category = "sphere-based"
 
+INTERFACE_CASES = ["Erf", "RPower", "LPower", "RExp", "LExp"]
+
 # pylint: disable=bad-whitespace, line-too-long
 #            ["name", "units", default, [lower, upper], "type", "description"],
 parameters = [["n_shells",                "",               1,      [0, 9],      "", "number of shells"],
-              ["thick_inter[n_shells]",   "Ang",            50,     [-inf, inf], "", "intern layer thickness"],
-              ["func_inter[n_shells]",    "",               0,      [0, 4],      "", "Erf:0, RPower:1, LPower:2, RExp:3, LExp:4"],
+              ["radius_core",             "Ang",            50.0,   [0, inf],    "", "intern layer thickness"],
               ["sld_core",                "1e-6/Ang^2",     2.07,   [-inf, inf], "", "sld function flat"],
               ["sld_solvent",             "1e-6/Ang^2",     1.0,    [-inf, inf], "", "sld function solvent"],
               ["sld_flat[n_shells]",      "1e-6/Ang^2",     4.06,   [-inf, inf], "", "sld function flat"],
+              ["thick_flat[n_shells]",    "Ang",            100.0,  [0, inf],    "", "flat layer_thickness"],
+              ["func_inter[n_shells]",    "",               0,      INTERFACE_CASES,  "", "shape of the interface between shells"],
+              ["nu_inter[n_shells]",      "",               2.5,    [-inf, inf], "", "steepness parameter"],
               ["thick_inter[n_shells]",   "Ang",            50.0,   [0, inf],    "", "intern layer thickness"],
-              ["thick_flat[n_shells]",    "Ang",            100.0,  [0, inf],    "", "flat layer_thickness"],
-              ["inter_nu[n_shells]",      "",               2.5,    [-inf, inf], "", "steepness parameter"],
-              ["npts_inter",              "",               35,     [0, 35],     "", "number of points in each sublayer Must be odd number"],
-              ["core_rad",                "Ang",            50.0,   [0, inf],    "", "intern layer thickness"],
+              ["n_points_inter",          "",               35,     [0, 35],     "", "number of points in each sublayer Must be odd number"],
               ]
 # pylint: enable=bad-whitespace, line-too-long
@@ -193 +194 @@
     solvent_sld=1.0,
     background=0.0,
-    npts_inter=35.0,
-    func_inter_0=0,
-    nu_inter_0=2.5,
-    rad_core_0=50.0,
-    core0_sld=2.07,
-    thick_inter_0=50.0,
-    func_inter_1=0,
-    nu_inter_1=2.5,
-    thick_inter_1=50.0,
-    flat1_sld=4.0,
-    thick_flat_1=100.0,
-    func_inter_2=0,
-    nu_inter_2=2.5,
-    thick_inter_2=50.0,
-    flat2_sld=3.5,
-    thick_flat_2=100.0,
-    func_inter_3=0,
-    nu_inter_3=2.5,
-    thick_inter_3=50.0,
-    flat3_sld=4.0,
-    thick_flat_3=100.0,
-    func_inter_4=0,
-    nu_inter_4=2.5,
-    thick_inter_4=50.0,
-    flat4_sld=3.5,
-    thick_flat_4=100.0,
-    func_inter_5=0,
-    nu_inter_5=2.5,
-    thick_inter_5=50.0,
-    flat5_sld=4.0,
-    thick_flat_5=100.0,
-    func_inter_6=0,
-    nu_inter_6=2.5,
-    thick_inter_6=50.0,
-    flat6_sld=3.5,
-    thick_flat_6=100.0,
-    func_inter_7=0,
-    nu_inter_7=2.5,
-    thick_inter_7=50.0,
-    flat7_sld=4.0,
-    thick_flat_7=100.0,
-    func_inter_8=0,
-    nu_inter_8=2.5,
-    thick_inter_8=50.0,
-    flat8_sld=3.5,
-    thick_flat_8=100.0,
-    func_inter_9=0,
-    nu_inter_9=2.5,
-    thick_inter_9=50.0,
-    flat9_sld=4.0,
-    thick_flat_9=100.0,
-    func_inter_10=0,
-    nu_inter_10=2.5,
-    thick_inter_10=50.0,
-    flat10_sld=3.5,
-    thick_flat_10=100.0
+    n_points_inter=35.0,
     )
 
 oldname = "SphereSLDModel"
 oldpars = dict(
-    n_shells="n_shells",
-    scale="scale",
-    background='background',
-    npts_inter='npts_inter',
-    solvent_sld='sld_solv',
-
-    func_inter_0='func_inter0',
-    nu_inter_0='nu_inter0',
-    rad_core_0='rad_core0',
-    core0_sld='sld_core0',
-    thick_inter_0='thick_inter0',
-    func_inter_1='func_inter1',
-    nu_inter_1='nu_inter1',
-    thick_inter_1='thick_inter1',
-    flat1_sld='sld_flat1',
-    thick_flat_1='thick_flat1',
-    func_inter_2='func_inter2',
-    nu_inter_2='nu_inter2',
-    thick_inter_2='thick_inter2',
-    flat2_sld='sld_flat2',
-    thick_flat_2='thick_flat2',
-    func_inter_3='func_inter3',
-    nu_inter_3='nu_inter3',
-    thick_inter_3='thick_inter3',
-    flat3_sld='sld_flat3',
-    thick_flat_3='thick_flat3',
-    func_inter_4='func_inter4',
-    nu_inter_4='nu_inter4',
-    thick_inter_4='thick_inter4',
-    flat4_sld='sld_flat4',
-    thick_flat_4='thick_flat4',
-    func_inter_5='func_inter5',
-    nu_inter_5='nu_inter5',
-    thick_inter_5='thick_inter5',
-    flat5_sld='sld_flat5',
-    thick_flat_5='thick_flat5',
-    func_inter_6='func_inter6',
-    nu_inter_6='nu_inter6',
-    thick_inter_6='thick_inter6',
-    flat6_sld='sld_flat6',
-    thick_flat_6='thick_flat6',
-    func_inter_7='func_inter7',
-    nu_inter_7='nu_inter7',
-    thick_inter_7='thick_inter7',
-    flat7_sld='sld_flat7',
-    thick_flat_7='thick_flat7',
-    func_inter_8='func_inter8',
-    nu_inter_8='nu_inter8',
-    thick_inter_8='thick_inter8',
-    flat8_sld='sld_flat8',
-    thick_flat_8='thick_flat8',
-    func_inter_9='func_inter9',
-    nu_inter_9='nu_inter9',
-    thick_inter_9='thick_inter9',
-    flat9_sld='sld_flat9',
-    thick_flat_9='thick_flat9',
-    func_inter_10='func_inter10',
-    nu_inter_10='nu_inter10',
-    thick_inter_10='thick_inter10',
-    flat10_sld='sld_flat10',
-    thick_flat_10='thick_flat10')
+    #scale="scale",
+    #background='background',
+    #n_shells="n_shells",
+    radius_core='rad_core',
+    #sld_core='sld_core',
+    #sld_flat='sld_flat',
+    #thick_flat='thick_flat',
+    #func_inter='func_inter',
+    #thick_inter='thick_inter',
+    #nu_inter='nu_inter',
+    #points_inter='npts_inter',
+    sld_solvent='sld_solv',
+    )
 
 #TODO: Not working yet
 tests = [
     # Accuracy tests based on content in test/utest_extra_models.py
-    [{'npts_iter':35,
-        'sld_solv':1,
-        'func_inter_1':0.0,
-        'nu_inter':2.5,
-        'thick_inter_1':50,
-        'sld_flat_1':4,
-        'thick_flat_1':100,
-        'func_inter_0':0.0,
-        'nu_inter_0':2.5,
-        'rad_core_0':50.0,
-        'sld_core_0':2.07,
-        'thick_inter_0':50,
-        'background': 0.0,
-    }, 0.001, 1000],
+    [{'n_points_inter':35,
+      'sld_solv':1,
+      'radius_core':50.0,
+      'sld_core':2.07,
+      'func_inter2':0.0,
+      'thick_inter2':50,
+      'nu_inter2':2.5,
+      'sld_flat2':4,
+      'thick_flat2':100,
+      'func_inter1':0.0,
+      'thick_inter1':50,
+      'nu_inter1':2.5,
+      'background': 0.0,
+     }, 0.001, 0.001],
 ]