Changeset b6dab59 in sasmodels

Timestamp:

Sep 11, 2018 10:40:07 AM (6 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:

1e420e6

Parents:

2c12061

Message:

set structure factor background default to 0.0

Location:

sasmodels

Files:

• compare.py (modified) (1 diff)
• generate.py (modified) (1 diff)
• modelinfo.py (modified) (6 diffs)
• models/hardsphere.py (modified) (1 diff)

sasmodels/compare.py

@@ -1151 +1151 @@
         'rel_err'   : True,
         'explore'   : False,
-        'use_demo'  : True,
+        'use_demo'  : False,
         'zero'      : False,
         'html'      : False,

sasmodels/generate.py

@@ -968 +968 @@
         pars = model_info.parameters.kernel_parameters
     else:
-        pars = model_info.parameters.COMMON + model_info.parameters.kernel_parameters
+        pars = (model_info.parameters.common_parameters
+                + model_info.parameters.kernel_parameters)
     partable = make_partable(pars)
     subst = dict(id=model_info.id.replace('_', '-'),

sasmodels/modelinfo.py

@@ -405 +405 @@
       parameters counted as n individual parameters p1, p2, ...
 
+    * *common_parameters* is the list of common parameters, with a unique
+      copy for each model so that structure factors can have a default
+      background of 0.0.
+
     * *call_parameters* is the complete list of parameters to the kernel,
       including scale and background, with vector parameters recorded as
@@ -417 +421 @@
     parameters don't use vector notation, and instead use p1, p2, ...
     """
-    # scale and background are implicit parameters
-    COMMON = [Parameter(*p) for p in COMMON_PARAMETERS]
-
     def __init__(self, parameters):
         # type: (List[Parameter]) -> None
+
+        # scale and background are implicit parameters
+        # Need them to be unique to each model in case they have different
+        # properties, such as default=0.0 for structure factor backgrounds.
+        self.common_parameters = [Parameter(*p) for p in COMMON_PARAMETERS]
+
         self.kernel_parameters = parameters
         self._set_vector_lengths()
@@ -570 +577 @@
     def _get_call_parameters(self):
         # type: () -> List[Parameter]
-        full_list = self.COMMON[:]
+        full_list = self.common_parameters[:]
         for p in self.kernel_parameters:
             if p.length == 1:
@@ -673 +680 @@
 
         # Gather the user parameters in order
-        result = control + self.COMMON
+        result = control + self.common_parameters
         for p in self.kernel_parameters:
             if not is2d and p.type in ('orientation', 'magnetic'):
@@ -772 +779 @@
         return kernel_module.model_info
     info = ModelInfo()
+
+    # Build the parameter table
     #print("make parameter table", kernel_module.parameters)
     parameters = make_parameter_table(getattr(kernel_module, 'parameters', []))
+
+    # background defaults to zero for structure factor models
+    structure_factor = getattr(kernel_module, 'structure_factor', False)
+    if structure_factor:
+        # Make sure background is the second common parameter
+        assert COMMON_PARAMETERS[1][0] == "background"
+        parameters.common_parameters[1].default = 0.0
+
+    # TODO: remove demo parameters
+    # The plots in the docs are generated from the model default values.
+    # Sascomp set parameters from the command line, and so doesn't need
+    # demo values for testing.
     demo = expand_pars(parameters, getattr(kernel_module, 'demo', None))
+
     filename = abspath(kernel_module.__file__).replace('.pyc', '.py')
     kernel_id = splitext(basename(filename))[0]
@@ -791 +813 @@
     info.docs = kernel_module.__doc__
     info.category = getattr(kernel_module, 'category', None)
-    info.structure_factor = getattr(kernel_module, 'structure_factor', False)
+    info.structure_factor = structure_factor
     info.profile_axes = getattr(kernel_module, 'profile_axes', ['x', 'y'])
     info.source = getattr(kernel_module, 'source', [])

sasmodels/models/hardsphere.py

@@ -171 +171 @@
 # VR defaults to 1.0
 
-demo = dict(radius_effective=200, volfraction=0.2,
-            radius_effective_pd=0.1, radius_effective_pd_n=40)
 # Q=0.001 is in the Taylor series, low Q part, so add Q=0.1,
 # assuming double precision sasview is correct