Changeset 3c24ccd in sasmodels for sasmodels/direct_model.py

Timestamp:

Oct 18, 2017 10:03:43 AM (7 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:

ef8e68c

Parents:

fbb9397

Message:

add -weights option to sascomp to show dispersity distribution

File:

• sasmodels/direct_model.py (modified) (2 diffs)

sasmodels/direct_model.py

@@ -55 +55 @@
     *mono* is True if polydispersity should be set to none on all parameters.
     """
-    parameters = calculator.info.parameters
-    if mono:
-        active = lambda name: False
-    elif calculator.dim == '1d':
-        active = lambda name: name in parameters.pd_1d
-    elif calculator.dim == '2d':
-        active = lambda name: name in parameters.pd_2d
-    else:
-        active = lambda name: True
-
-    #print("pars",[p.id for p in parameters.call_parameters])
-    mesh = [get_weights(p, pars, active(p.name))
-            for p in parameters.call_parameters]
-
+    mesh = get_mesh(calculator.info, pars, dim=calculator.dim, mono=mono)
     call_details, values, is_magnetic = make_kernel_args(calculator, mesh)
     #print("values:", values)
     return calculator(call_details, values, cutoff, is_magnetic)
-
 
 def call_ER(model_info, pars):
@@ -128 +114 @@
     return x, y, model_info.profile_axes
 
-
-def get_weights(parameter, values, active=True):
-    # type: (Parameter, Dict[str, float]) -> Tuple[np.ndarray, np.ndarray]
+def get_mesh(model_info, values, dim='1d', mono=False):
+    # type: (ModelInfo, Dict[str, float], str, bool) -> List[Tuple[float, np.ndarray, np.ndarry]]
+    """
+    Retrieve the dispersity mesh described by the parameter set.
+
+    Returns a list of *(value, dispersity, weights)* with one tuple for each
+    parameter in the model call parameters.  Inactive parameters return the
+    default value with a weight of 1.0.
+    """
+    parameters = model_info.parameters
+    if mono:
+        active = lambda name: False
+    elif dim == '1d':
+        active = lambda name: name in parameters.pd_1d
+    elif dim == '2d':
+        active = lambda name: name in parameters.pd_2d
+    else:
+        active = lambda name: True
+
+    #print("pars",[p.id for p in parameters.call_parameters])
+    mesh = [_get_par_weights(p, values, active(p.name))
+            for p in parameters.call_parameters]
+    return mesh
+
+
+def _get_par_weights(parameter, values, active=True):
+    # type: (Parameter, Dict[str, float]) -> Tuple[float, np.ndarray, np.ndarray]
     """
     Generate the distribution for parameter *name* given the parameter values