Changeset 81751c2 in sasmodels

Timestamp:

Oct 25, 2018 4:16:04 PM (5 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

master, core_shell_microgels, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

869fd7b

Parents:

39a06c9

Message:

allow structure factor tests in model file. Refs #822.

Files:

• doc/guide/plugin.rst (modified) (2 diffs)
• sasmodels/model_test.py (modified) (3 diffs)
• sasmodels/models/sphere.py (modified) (1 diff)

doc/guide/plugin.rst

@@ -1035 +1035 @@
         [{"radius": 120., "radius_pd": 0.2, "radius_pd_n":45},
          0.1, None, None, 120., None, 1.],  # q, F, F^2, R_eff, V, form:shell
+        [{"@S": "hardsphere"}, 0.1, None],
     ]
 
@@ -1056 +1057 @@
   effective radius test, but include values for the first two elements,
   $<F(q)>$ and $<F^2(q)>$.
+- for testing interaction between form factor and structure factor, specify
+  the structure factor name in the parameters as *{"@S": "name", ...}* with
+  the remaining list of parameters defined by the *P@S* product model.
 
 .. _Test_Your_New_Model:

sasmodels/model_test.py

@@ -64 +64 @@
 from .kernelcl import use_opencl
 from .kernelcuda import use_cuda
+from . import product
 
 # pylint: disable=unused-import
@@ -214 +215 @@
                 ({}, [0.001, 0.01, 0.1], [None]*3),
                 ({}, [(0.1, 0.1)]*2, [None]*2),
-                # test that Fq will run
+                # test that Fq will run, and return R_eff, V, V_r
                 ({}, 0.1, None, None, None, None, None),
                 ]
@@ -221 +222 @@
             if self.info.tests is not None:
                 tests += self.info.tests
+            S_tests = [test for test in tests if '@S' in test[0]]
+            P_tests = [test for test in tests if '@S' not in test[0]]
             try:
                 model = build_model(self.info, dtype=self.dtype,
                                     platform=self.platform)
-                results = [self.run_one(model, test) for test in tests]
+                results = [self.run_one(model, test) for test in P_tests]
+                for test in S_tests:
+                    # pull the S model name out of the test defn
+                    pars = test[0].copy()
+                    s_name = pars.pop('@S')
+                    ps_test = [pars] + list(test[1:])
+                    # build the P@S model
+                    s_info = load_model_info(s_name)
+                    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
+                    results.append(self.run_one(ps_model, ps_test))
+
                 if self.stash:
                     for test, target, actual in zip(tests, self.stash[0], results):

sasmodels/models/sphere.py

@@ -85 +85 @@
     [{"radius": 120., "radius_pd": 0.2, "radius_pd_n":45},
      0.1, None, None, 120., None, 1.0],
+    [{"@S": "hardsphere"}, 0.1, None],
 ]