Changeset f619de7 in sasmodels for sasmodels/product.py

Timestamp:

Apr 11, 2016 11:14:50 AM (8 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

master, core_shell_microgels, costrafo411, magnetic_model, release_v0.94, release_v0.95, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

7ae2b7f

Parents:

9a943d0

Message:

more type hinting

File:

• sasmodels/product.py (modified) (9 diffs)

sasmodels/product.py

@@ -14 +14 @@
 
 from .details import dispersion_mesh
-from .modelinfo import suffix_parameter, ParameterTable, Parameter, ModelInfo
+from .modelinfo import suffix_parameter, ParameterTable, ModelInfo
+from .kernel import KernelModel, Kernel
+
+try:
+    from typing import Tuple
+    from .modelinfo import ParameterSet
+    from .details import CallDetails
+except ImportError:
+    pass
 
 # TODO: make estimates available to constraints
@@ -25 +33 @@
 # revert it after making VR and ER available at run time as constraints.
 def make_product_info(p_info, s_info):
+    # type: (ModelInfo, ModelInfo) -> ModelInfo
     """
     Create info block for product model.
     """
-    p_id, p_name, p_partable = p_info.id, p_info.name, p_info.parameters
-    s_id, s_name, s_partable = s_info.id, s_info.name, s_info.parameters
-    p_set = set(p.id for p in p_partable)
-    s_set = set(p.id for p in s_partable)
+    p_id, p_name, p_pars = p_info.id, p_info.name, p_info.parameters
+    s_id, s_name, s_pars = s_info.id, s_info.name, s_info.parameters
+    p_set = set(p.id for p in p_pars.call_parameters)
+    s_set = set(p.id for p in s_pars.call_parameters)
 
     if p_set & s_set:
         # there is some overlap between the parameter names; tag the
         # overlapping S parameters with name_S
-        s_pars = [(suffix_parameter(par, "_S") if par.id in p_set else par)
-                  for par in s_partable.kernel_parameters]
-        pars = p_partable.kernel_parameters + s_pars
+        s_list = [(suffix_parameter(par, "_S") if par.id in p_set else par)
+                  for par in s_pars.kernel_parameters]
+        combined_pars = p_pars.kernel_parameters + s_list
     else:
-        pars= p_partable.kernel_parameters + s_partable.kernel_parameters
+        combined_pars = p_pars.kernel_parameters + s_pars.kernel_parameters
+    parameters = ParameterTable(combined_pars)
 
     model_info = ModelInfo()
@@ -50 +60 @@
     model_info.docs = model_info.title
     model_info.category = "custom"
-    model_info.parameters = ParameterTable(pars)
+    model_info.parameters = parameters
     #model_info.single = p_info.single and s_info.single
     model_info.structure_factor = False
@@ -60 +70 @@
     return model_info
 
-class ProductModel(object):
+class ProductModel(KernelModel):
     def __init__(self, model_info, P, S):
+        # type: (ModelInfo, KernelModel, KernelModel) -> None
         self.info = model_info
         self.P = P
@@ -67 +78 @@
 
     def __call__(self, q_vectors):
+        # type: (List[np.ndarray]) -> Kernel
         # Note: may be sending the q_vectors to the GPU twice even though they
         # are only needed once.  It would mess up modularity quite a bit to
@@ -73 +85 @@
         # in opencl; or both in opencl, but one in single precision and the
         # other in double precision).
-        p_kernel = self.P(q_vectors)
-        s_kernel = self.S(q_vectors)
+        p_kernel = self.P.make_kernel(q_vectors)
+        s_kernel = self.S.make_kernel(q_vectors)
         return ProductKernel(self.info, p_kernel, s_kernel)
 
     def release(self):
+        # type: (None) -> None
         """
         Free resources associated with the model.
@@ -85 +98 @@
 
 
-class ProductKernel(object):
+class ProductKernel(Kernel):
     def __init__(self, model_info, p_kernel, s_kernel):
+        # type: (ModelInfo, Kernel, Kernel) -> None
         self.info = model_info
         self.p_kernel = p_kernel
@@ -92 +106 @@
 
     def __call__(self, details, weights, values, cutoff):
+        # type: (CallDetails, np.ndarray, np.ndarray, float) -> np.ndarray
         effect_radius, vol_ratio = call_ER_VR(self.p_kernel.info, vol_pars)
 
@@ -108 +123 @@
 
     def release(self):
+        # type: () -> None
         self.p_kernel.release()
-        self.q_kernel.release()
+        self.s_kernel.release()
 
-def call_ER_VR(model_info, vol_pars):
+def call_ER_VR(model_info, pars):
     """
     Return effect radius and volume ratio for the model.
     """
-    value, weight = dispersion_mesh(vol_pars)
+    if model_info.ER is None and model_info.VR is None:
+        return 1.0, 1.0
 
-    individual_radii = model_info.ER(*value) if model_info.ER else 1.0
-    whole, part = model_info.VR(*value) if model_info.VR else (1.0, 1.0)
+    value, weight = _vol_pars(model_info, pars)
 
-    effect_radius = np.sum(weight*individual_radii) / np.sum(weight)
-    volume_ratio = np.sum(weight*part)/np.sum(weight*whole)
+    if model_info.ER is not None:
+        individual_radii = model_info.ER(*value)
+        effect_radius = np.sum(weight*individual_radii) / np.sum(weight)
+    else:
+        effect_radius = 1.0
+
+    if model_info.VR is not None:
+        whole, part = model_info.VR(*value)
+        volume_ratio = np.sum(weight*part)/np.sum(weight*whole)
+    else:
+        volume_ratio = 1.0
+
     return effect_radius, volume_ratio
+
+def _vol_pars(model_info, pars):
+    # type: (ModelInfo, ParameterSet) -> Tuple[np.ndarray, np.ndarray]
+    vol_pars = [get_weights(p, pars)
+                for p in model_info.parameters.call_parameters
+                if p.type == 'volume']
+    value, weight = dispersion_mesh(model_info, vol_pars)
+    return value, weight
+