Changeset a430f5f in sasmodels

Timestamp:

Mar 28, 2019 6:13:16 AM (6 years ago)

Author:

richardh

Branches:

master, ticket-1257-vesicle-product, ticket_1156, ticket_822_more_unit_tests

Children:

adb84f6, 6652522

Parents:

facb052

Message:

more progress with model_test, see sphere.py

Location:

sasmodels

Files:

• model_test.py (modified) (2 diffs)
• models/sphere.py (modified) (1 diff)

sasmodels/model_test.py

@@ -242 +242 @@
                     # build the P@S model
                     s_info = load_model_info(s_name)
-                    print("in run_all: s_info:", s_info)
+                    #print("in run_all: s_info:", s_info)
                     ps_info = product.make_product_info(self.info, s_info)
                     ps_model = build_model(ps_info, dtype=self.dtype,
@@ -414 +414 @@
     """
     import math
-    shift = 10**math.ceil(math.log10(abs(target)))
-    return abs(target-actual)/shift < 1.5*10**-digits
+    shift = 10**math.ceil(math.log10(np.abs(target)))
+    return np.abs(target-actual)/shift < 1.5*10**-digits
 
 # CRUFT: old interface; should be deprecated and removed

sasmodels/models/sphere.py

@@ -95 +95 @@
     [{"scale": 1., "background": 0., "sld": 6., "sld_solvent": 1.,
       "radius": 120., "radius_pd": 0.2, "radius_pd_n":45},
-     0.2, 0.228843],
-    [{"radius": 120., "radius_pd": 0.2, "radius_pd_n":45},
-     0.1, None, None, 120., None, 1.0],
+     0.2, 0.2288431],
+    [{"radius": 120., "radius_pd": 0.02, "radius_pd_n":45},
+     0.2, 792.0646662454202, [1166737.0473152], 120.0, 7246723.820358589, 1.0], # the longer list here checks  F1, F2, R_eff, volume, volume_ratio = call_Fq(kernel, pars)
+    #          But note P(Q) = F2/volume,  F1 and F2 are vectors, for some reason only F2 needs square brackets
+    #          BUT what is scaling of F1 ???  At low Pd F2 ~ F1^2 ?
+   [{"radius": 120., "radius_pd": 0.2, "radius_pd_n":45},
+     0.2, 1.233304061, [1850806.119736], 120.0, 8087664.1226, 1.0], # the longer list here checks  F1, F2, R_eff, volume, volume_ratio = call_Fq(kernel, pars)
     [{"@S": "hardsphere"},
-       0.1, 0.7940350343881906], # Q=0.1 this is current value, not verified elsewhere yet
+       0.01, 55.881884232102124], # this is current value, not verified elsewhere yet
+    [{"@S": "hardsphere"},
+       0.2, 0.14730859242492958], #  this is current value, not verified elsewhere yet
+    [{"@S": "hardsphere"},
+       0.1, 0.7940350343811906], #  this is current value, not verified elsewhere yet
         [{"@S": "hardsphere",          # hard sphere structure factor
      "structure_factor_mode": 1,  # decoupling approximation