Changes in sasmodels/modelinfo.py [39a06c9:d8eaa3d] in sasmodels

File:

• sasmodels/modelinfo.py (modified) (11 diffs)

sasmodels/modelinfo.py

@@ -290 +290 @@
     example, might be used to set the value of a shape parameter.
 
-    These values are set by :func:`make_parameter_table` and
+    Control parameters are used for variant models such as :ref:`rpa` which
+    have different cases with different parameters, as well as models
+    like :ref:`spherical_sld` with its user defined number of shells.
+    The control parameter should appear in the parameter table along with the
+    parameters it is is controlling.  For variant models, use *[CASES]* in
+    place of the parameter limits Within the parameter definition table,
+    with case names such as::
+
+         CASES = ["diblock copolymer", "triblock copolymer", ...]
+
+    This should give *limits=[[case1, case2, ...]]*, but the model loader
+    translates it to *limits=[0, len(CASES)-1]*, and adds *choices=CASES* to
+    the :class:`Parameter` definition. Note that models can use a list of
+    cases as a parameter without it being a control parameter.  Either way,
+    the parameter is sent to the model evaluator as *float(choice_num)*,
+    where choices are numbered from 0. :meth:`ModelInfo.get_hidden_parameters`
+    will determine which parameers to display.
+
+    The class contructor should not be called directly, but instead the
+    parameter table is built using :func:`make_parameter_table` and
     :func:`parse_parameter` therein.
     """
@@ -404 +423 @@
       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 +439 @@
     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 +494 @@
                          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 +604 @@
     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 +707 @@
 
         # 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 +807 @@
 
     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]
@@ -814 +864 @@
     info.single = getattr(kernel_module, 'single', not callable(info.Iq))
     info.random = getattr(kernel_module, 'random', None)
-
-    # multiplicity info
-    control_pars = [p.id for p in parameters.kernel_parameters if p.is_control]
-    default_control = control_pars[0] if control_pars else None
-    info.control = getattr(kernel_module, 'control', default_control)
     info.hidden = getattr(kernel_module, 'hidden', None) # type: ignore
+
+    # Set control flag for explicitly set parameters, e.g., in the RPA model.
+    control = getattr(kernel_module, 'control', None)
+    if control is not None:
+        parameters[control].is_control = True
 
     if callable(info.Iq) and parameters.has_2d:
@@ -872 +922 @@
     #: *sphere*hardsphere* or *cylinder+sphere*.
     composition = None      # type: Optional[Tuple[str, List[ModelInfo]]]
-    #: Name of the control parameter for a variant model such as :ref:`rpa`.
-    #: The *control* parameter should appear in the parameter table, with
-    #: limits defined as *[CASES]*, for case names such as
-    #: *CASES = ["diblock copolymer", "triblock copolymer", ...]*.
-    #: This should give *limits=[[case1, case2, ...]]*, but the
-    #: model loader translates this to *limits=[0, len(CASES)-1]*, and adds
-    #: *choices=CASES* to the :class:`Parameter` definition. Note that
-    #: models can use a list of cases as a parameter without it being a
-    #: control parameter.  Either way, the parameter is sent to the model
-    #: evaluator as *float(choice_num)*, where choices are numbered from 0.
-    #: See also :attr:`hidden`.
-    control = None          # type: str
     #: Different variants require different parameters.  In order to show
     #: just the parameters needed for the variant selected by :attr:`control`,
@@ -947 +985 @@
     #: C code, either defined as a string, or in the sources.
     shell_volume = None      # type: Union[None, str, Callable[[np.ndarray], float]]
+    #: Computes the effective radius of the shape given the volume parameters.
+    #: Only needed for models defined in python that can be used for
+    #: monodisperse approximation for non-dilute solutions, P@S.  The first
+    #: argument is the integer effective radius mode, with default 0.
+    effective_radius = None  # type: Union[None, Callable[[int, np.ndarray], float]]
     #: Returns *I(q, a, b, ...)* for parameters *a*, *b*, etc. defined
     #: by the parameter table.  *Iq* can be defined as a python function, or
@@ -958 +1001 @@
     #: will return *I(q, a, b, ...)*.  Multiplicity parameters are sent as
     #: pointers to doubles.  Constants in floating point expressions should
-    #: include the decimal point. See :mod:`generate` for more details.
+    #: include the decimal point. See :mod:`generate` for more details. If
+    #: *have_Fq* is True, then Iq should return an interleaved array of
+    #: $[\sum F(q_1), \sum F^2(q_1), \ldots, \sum F(q_n), \sum F^2(q_n)]$.
     Iq = None               # type: Union[None, str, Callable[[np.ndarray], np.ndarray]]
     #: Returns *I(qab, qc, a, b, ...)*.  The interface follows :attr:`Iq`.