Changeset 6dccecc in sasmodels

Timestamp:

Mar 28, 2019 10:19:14 AM (6 years ago)

Author:

ajj

Branches:

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

Children:

adb84f6

Parents:

a7db39fa (diff), a430f5f (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 branch 'ticket_822_v5_unit_tests' of ​https://github.com/SasView/sasmodels into ticket_822_v5_unit_tests

Location:

sasmodels

Files:

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

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

sasmodels/direct_model.py

@@ -59 +59 @@
     """
     mesh = get_mesh(calculator.info, pars, dim=calculator.dim, mono=mono)
-    print("in call_kernel: pars:", list(zip(*mesh))[0])
+    #print("in call_kernel: pars:", list(zip(*mesh))[0])
     call_details, values, is_magnetic = make_kernel_args(calculator, mesh)
     #print("in call_kernel: values:", values)
@@ -118 +118 @@
         active = lambda name: True
 
-    print("in get_mesh: pars:",[p.id for p in parameters.call_parameters])
+    #print("in get_mesh: pars:",[p.id for p in parameters.call_parameters])
     mesh = [_get_par_weights(p, values, active(p.name))
             for p in parameters.call_parameters]

sasmodels/model_test.py

@@ -240 +240 @@
                     s_name = pars.pop('@S')
                     ps_test = [pars] + list(test[1:])
+                    #print("PS TEST PARAMS!!!",ps_test)
                     # build the P@S model
                     s_info = load_model_info(s_name)
-                    #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,
                                            platform=self.platform)
                     # run the tests
+                    self.info = ps_model.info
+                    #print("SELF.INFO PARAMS!!!",[p.id for p in self.info.parameters.call_parameters])
+                    #print("PS MODEL PARAMETERS:",[p.id for p in ps_model.info.parameters.call_parameters])
                     results.append(self.run_one(ps_model, ps_test))
 
@@ -397 +400 @@
         if par == product.STRUCTURE_MODE_ID:
             continue
-        if par == "radius_effective":    # test should not need this??
-            continue
         parts = par.split('_pd')
         if len(parts) > 1 and parts[1] not in ("", "_n", "nsigma", "type"):