Changeset 4553dae in sasmodels

Timestamp:

Aug 7, 2017 11:00:01 AM (7 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

master, core_shell_microgels, costrafo411, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

92708d8

Parents:

0f6c41c

Message:

don't generate psi dispersity if shape has rotational symmetry

Location:

sasmodels

Files:

• compare.py (modified) (4 diffs)
• models/mass_fractal.py (modified) (1 diff)

sasmodels/compare.py

@@ -402 +402 @@
             pars['phi_pd_n'] = 5
         if np.random.rand() < 0.1:
-            pars['psi_pd_n'] = 5
+            if any(p.name == 'psi' for p in model_info.parameters.kernel_parameters):
+                #print("generating psi_pd_n")
+                pars['psi_pd_n'] = 5
 
     ## Show selected polydispersity
@@ -543 +545 @@
     """
     pars = pars.copy()
+    #print("pars=", pars)
     if suppress:
         for p in pars:
@@ -552 +555 @@
         for p in pars:
             if p.endswith("_pd_n"):
-                any_pd |= (pars[p] != 0 and pars[p[:-2]] != 0.)
+                pd = pars.get(p[:-2], 0.)
+                any_pd |= (pars[p] != 0 and pd != 0.)
                 if first_pd is None:
                     first_pd = p
@@ -558 +562 @@
             if pars[first_pd] == 0:
                 pars[first_pd] = 35
-            if pars[first_pd[:-2]] == 0:
+            if first_pd[:-2] not in pars or pars[first_pd[:-2]] == 0:
                 pars[first_pd[:-2]] = 0.15
     return pars

sasmodels/models/mass_fractal.py

@@ -92 +92 @@
     radius = 10**np.random.uniform(0.7, 4)
     cutoff_length = 10**np.random.uniform(0.7, 2)*radius
-    # TODO: fractal dimension should range from 1 to 5
+    # TODO: fractal dimension should range from 1 to 6
     fractal_dim_mass = 2*np.random.beta(3, 4) + 1
     Vf = 10**np.random.uniform(-4, -1)