Changeset d8e81f7 in sasmodels

Timestamp:

Mar 28, 2019 11:49:06 AM (6 years ago)

Author:

ajj

Branches:

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

Children:

6140894

Parents:

b39bf3b (diff), 2ed7de0 (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:

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

sasmodels/core.py

@@ -376 +376 @@
     # type: () -> None
     """Check that model load works"""
+    from .product import RADIUS_ID, VOLFRAC_ID, STRUCTURE_MODE_ID, RADIUS_MODE_ID
     #Test the the model produces the parameters that we would expect
     model = load_model("cylinder@hardsphere*sphere")
     actual = [p.name for p in model.info.parameters.kernel_parameters]
-    target = ("sld sld_solvent radius length theta phi"
-              " radius_effective volfraction "
-              " structure_factor_mode effective_radius_type"
-              " A_sld A_sld_solvent A_radius").split()
+    target = ["sld", "sld_solvent", "radius", "length", "theta", "phi",
+              RADIUS_ID, VOLFRAC_ID, STRUCTURE_MODE_ID, RADIUS_MODE_ID,
+              "A_sld", "A_sld_solvent", "A_radius"]
     assert target == actual, "%s != %s"%(target, actual)
 

sasmodels/direct_model.py

@@ -76 +76 @@
     R_eff_type = int(pars.pop(RADIUS_MODE_ID, 1.0))
     mesh = get_mesh(calculator.info, pars, dim=calculator.dim, mono=mono)
-    print("in call_Fq: pars", list(zip(*mesh))[0])
+    #print("in call_Fq: pars", list(zip(*mesh))[0])
     call_details, values, is_magnetic = make_kernel_args(calculator, mesh)
     #print("in call_Fq: values:", values)

sasmodels/model_test.py

@@ -247 +247 @@
                                            platform=self.platform)
                     # run the tests
+<<<<<<< HEAD
                     #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])
+=======
+>>>>>>> 2ed7de04217c5103c5fd8d7c14e29e04923269d5
                     results.append(self.run_one(ps_model, ps_test))
 
@@ -394 +397 @@
     invalid = []
     for par in sorted(pars.keys()):
-        # special handling of R_eff mode, which is not a usual parameter
+        # Ignore the R_eff mode parameter when checking for valid parameters.
+        # It is an allowed parameter for a model even though it does not exist
+        # in the parameter table.  The call_Fq() function pops it from the
+        # parameter list and sends it directly to kernel.Fq().
         if par == product.RADIUS_MODE_ID:
-            continue
-        if par == product.RADIUS_TYPE_ID:
-            continue
-        if par == product.STRUCTURE_MODE_ID:
             continue
         parts = par.split('_pd')

sasmodels/product.py

@@ -39 +39 @@
 STRUCTURE_MODE_ID = "structure_factor_mode"
 RADIUS_MODE_ID = "radius_effective_mode"
-# rkh add this to pass to model_test
-RADIUS_TYPE_ID = "effective_radius_type"
 RADIUS_ID = "radius_effective"
 VOLFRAC_ID = "volfraction"

sasmodels/models/sphere.py

@@ -75 +75 @@
               ["sld_solvent", "1e-6/Ang^2", 6, [-inf, inf], "sld",
                "Solvent scattering length density"],
-              ["radius", "Ang", 50, [0, inf], "volume",
+              ["radius", "Ang", 45, [0, inf], "volume",
                "Sphere radius"],
              ]
@@ -92 +92 @@
 
 tests = [
-    [{}, 0.2, 0.726362],
-    [{"scale": 1., "background": 0., "sld": 6., "sld_solvent": 1.,
-      "radius": 120., "radius_pd": 0.2, "radius_pd_n":45},
-     0.2, 0.2288431],
-    [{"radius": 120., "radius_pd": 0.02, "radius_pd_n":45}, 0.2,
-     # F1, F2, R_eff, volume, volume_ratio = call_Fq(kernel, pars) at q=0.2
-     792.0646662454202, 1166737.0473152, 120.0, 7246723.820358589, 1.0],
-    #  But note P(Q) = F2/volume+background,  F1 and F2 are vectors
-    #  BUT what is scaling of F1 ???  At low Pd F2 ~ F1^2 ?
-   [{"radius": 120., "radius_pd": 0.2, "radius_pd_n":45}, 0.2,
-     # F1, F2, R_eff, volume, volume_ratio = call_Fq(kernel, pars) at q=0.2
-     1.233304061, 1850806.119736, 120.0, 8087664.1226, 1.0],
-    [{"@S": "hardsphere"},
-       0.01, 55.881884232102124], # current value, not verified elsewhere yet
-    [{"@S": "hardsphere"},
-       0.2, 0.14730859242492958], # current value, not verified elsewhere yet
-    [{"@S": "hardsphere"},
-       0.1, 0.7940350343811906], # current value, not verified elsewhere yet
-    [{"@S": "hardsphere",        # hard sphere structure factor
-     "structure_factor_mode": 1, # decoupling approximation
-     "radius_effective_mode": 1,
-     # Currently have hardwired model_test to accept radius_effective
-     "radius_effective": 27.0, # equivalent sphere
-     # direct_model has the name & value BUT does it get passed to S(Q)???
-     # What about volfracion, plus the many parameters used by other S(Q) ?
+   #  [{}, 0.2, 0.726362],
+   #  [{"scale": 1., "background": 0., "sld": 6., "sld_solvent": 1.,
+   #    "radius": 120., "radius_pd": 0.2, "radius_pd_n":45},
+   #   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 ?
+   # [{"@S": "hardsphere"},
+   #    0.01, 55.881884232102124], # this is current value, not verified elsewhere yet
+   # [{"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"},
+   #     0.2, 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",
+     "radius": 120., "radius_pd": 0.2, "radius_pd_n":45,
+     "volfraction":0.2,
+     "radius_effective":45.0,        # hard sphere structure factor
+     "structure_factor_mode": 1,  # decoupling approximation
+     #"effective_radius_type": 1 # equivalent sphere   Currently have hardwired model_test to accept radius_effective
+     # direct_model has the name & value BUT does it get passed to S(Q)???  What about volfracion, plus the many parameters used by other S(Q) ?
      # effective_radius_type does NOT appear in the list, has it been stripped out???
-     }, 0.1, 0.7940350343881906],
-#    [{"@S": "hardsphere",          # hard sphere structure factor
-#     "structure_factor_mode": 3,  #  -  WHY same result?
-#     "effective_radius_type": 3, "radius_effective": 23.0    #
-#     }, 0.1, 0.7940350343881906]
+     }, 0.01, 0.7940350343881906],
+        # [{"@S": "hardsphere",          # hard sphere structure factor
+    # "structure_factor_mode": 2,  #  -  WHY same result?
+    # "effective_radius_type": 2, "radius_effective":23.0    #
+        #  }, 0.1, 0.7940350343881906]
 ]
-# putting None for expected result will pass the test if there are no errors
-# from the routine, but without any check on the value of the result
+# putting None for expected result will pass the test if there are no errors from the routine, but without any check on the value of the result