Changes in / [e5bbe64:a8a1d48] in sasmodels

Location:

sasmodels

Files:

• compare.py (modified) (1 diff)
• direct_model.py (modified) (1 diff)
• generate.py (modified) (1 diff)
• modelinfo.py (modified) (6 diffs)
• models/hardsphere.py (modified) (1 diff)
• sasview_model.py (modified) (3 diffs)

sasmodels/compare.py

@@ -1152 +1152 @@
         'rel_err'   : True,
         'explore'   : False,
-        'use_demo'  : True,
+        'use_demo'  : False,
         'zero'      : False,
         'html'      : False,

sasmodels/direct_model.py

@@ -332 +332 @@
 
         # Need to pull background out of resolution for multiple scattering
-        background = pars.get('background', DEFAULT_BACKGROUND)
+        default_background = self._model.info.parameters.common_parameters[1].default
+        background = pars.get('background', default_background)
         pars = pars.copy()
         pars['background'] = 0.

sasmodels/generate.py

@@ -1006 +1006 @@
         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

@@ -404 +404 @@
       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
@@ -416 +420 @@
     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()
@@ -468 +475 @@
                          if p.polydisperse and p.type not in ('orientation', 'magnetic'))
         self.pd_2d = set(p.name for p in self.call_parameters if p.polydisperse)
+
+    def set_zero_background(self):
+        """
+        Set the default background to zero for this model.  This is done for
+        structure factor models.
+        """
+        # type: () -> None
+        # Make sure background is the second common parameter.
+        assert self.common_parameters[1].id == "background"
+        self.common_parameters[1].default = 0.0
+        self.defaults = self._get_defaults()
 
     def check_angles(self):
@@ -567 +585 @@
     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:
@@ -670 +688 @@
 
         # 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'):
@@ -770 +788 @@
 
     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:
+        parameters.set_zero_background()
+
+    # 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]

sasmodels/models/hardsphere.py

@@ -162 +162 @@
     return pars
 
-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

sasmodels/sasview_model.py

@@ -382 +382 @@
             hidden.add('scale')
             hidden.add('background')
-            self._model_info.parameters.defaults['background'] = 0.
 
         # Update the parameter lists to exclude any hidden parameters
@@ -931 +930 @@
     CylinderModel().evalDistribution([0.1, 0.1])
 
+def test_structure_factor_background():
+    # type: () -> None
+    """
+    Check that sasview model and direct model match, with background=0.
+    """
+    from .data import empty_data1D
+    from .core import load_model_info, build_model
+    from .direct_model import DirectModel
+
+    model_name = "hardsphere"
+    q = [0.0]
+
+    sasview_model = _make_standard_model(model_name)()
+    sasview_value = sasview_model.evalDistribution(np.array(q))[0]
+
+    data = empty_data1D(q)
+    model_info = load_model_info(model_name)
+    model = build_model(model_info)
+    direct_model = DirectModel(data, model)
+    direct_value_zero_background = direct_model(background=0.0)
+
+    assert sasview_value == direct_value_zero_background
+
+    # Additionally check that direct value background defaults to zero
+    direct_value_default = direct_model()
+    assert sasview_value == direct_value_default
+
+
 def magnetic_demo():
     Model = _make_standard_model('sphere')
@@ -951 +978 @@
     #print("rpa:", test_rpa())
     #test_empty_distribution()
+    #test_structure_factor_background()