Changeset 50ec515 in sasmodels

Timestamp:

Aug 5, 2016 8:35:30 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:

e187b25

Parents:

e7fe459

Message:

spherical sld: document interface shape number→interface relationship since UI doesn't show dropdown list yet

Location:

sasmodels

Files:

• modelinfo.py (modified) (3 diffs)
• models/spherical_sld.py (modified) (3 diffs)
• sasview_model.py (modified) (3 diffs)

sasmodels/modelinfo.py

@@ -101 +101 @@
                 limits = (float(low), float(high))
             except Exception:
-                print("user_limits",user_limits)
-                raise ValueError("invalid limits for %s"%name)
-            else:
-                if low >= high:
-                    raise ValueError("require lower limit < upper limit")
+                raise ValueError("invalid limits for %s: %r"%(name,user_limits))
+            if low >= high:
+                raise ValueError("require lower limit < upper limit")
 
     # Process default value as float, making sure it is in range
@@ -281 +279 @@
     15 degrees).
 
+    *choices* is the option names for a drop down list of options, as for
+    example, might be used to set the value of a shape parameter.
+
     These values are set by :func:`make_parameter_table` and
     :func:`parse_parameter` therein.
@@ -522 +523 @@
                     pk.polydisperse = p.polydisperse
                     pk.relative_pd = p.relative_pd
+                    pk.choices = p.choices
                     full_list.append(pk)
 

sasmodels/models/spherical_sld.py

@@ -15 +15 @@
 sub-shell is described by a line function, with *n_steps* sub-shells per
 interface. The form factor is normalized by the total volume of the sphere.
+
+Interface shapes are as follows::
+
+    0: erf(|nu|*z)
+    1: Rpow(z^|nu|)
+    2: Lpow(z^|nu|)
+    3: Rexp(-|nu|z)
+    4: Lexp(-|nu|z)
 
 Definition
@@ -186 +194 @@
 category = "shape:sphere"
 
-SHAPES = ["erf(|nu|*z)", "Rpow(z^|nu|)", "Lpow(z^|nu|)",
-          "Rexp(-|nu|z)", "Lexp(-|nu|z)"],
+SHAPES = [["erf(|nu|*z)", "Rpow(z^|nu|)", "Lpow(z^|nu|)",
+           "Rexp(-|nu|z)", "Lexp(-|nu|z)"]]
 
 # pylint: disable=bad-whitespace, line-too-long
@@ -234 +242 @@
         sld_l = sld[i]
         sld_r = sld[i+1] if i < n_shells-1 else sld_solvent
-        interface = SHAPE_FUNCTIONS[int(np.clip(shape[i], 0, len(SHAPES)-1))]
+        fn = SHAPE_FUNCTIONS[int(np.clip(shape[i], 0, len(SHAPE_FUNCTIONS)-1))]
         for step in range(1, n_steps+1):
-            portion = interface(float(step)/n_steps, max(abs(nu[i]), 1e-14))
+            portion = fn(float(step)/n_steps, max(abs(nu[i]), 1e-14))
             z0 += dz
             z.append(z0)

sasmodels/sasview_model.py

@@ -38 +38 @@
 
 # TODO: separate x_axis_label from multiplicity info
-# The profile x-axis label belongs with the profile generating function
 MultiplicityInfo = collections.namedtuple(
     'MultiplicityInfo',
@@ -141 +140 @@
                 p.name, p.choices, xlabel
             )
+            break
+
+    # Only a single drop-down list parameter available
+    fun_list = []
+    for p in model_info.parameters.kernel_parameters:
+        if p.choices:
+            fun_list = p.choices
+            if p.length > 1:
+                non_fittable.extend(p.id+str(k) for k in range(1, p.length+1))
             break
 
@@ -173 +181 @@
     attrs['fixed'] = tuple(fixed)
     attrs['non_fittable'] = tuple(non_fittable)
+    attrs['fun_list'] = tuple(fun_list)
 
     return attrs