Changeset 54bcd4a in sasmodels for sasmodels/convert.py

Timestamp:

Aug 4, 2016 2:48:37 PM (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:

745b7bb

Parents:

bd49c79

Message:

spherical sld: simplify code so that it works on AMD GPUs

File:

• sasmodels/convert.py (modified) (3 diffs)

sasmodels/convert.py

@@ -229 +229 @@
                 oldpars['ndensity'] *= 1e15
         elif name == 'spherical_sld':
-            for k in range(1, int(pars['n_shells'])+1):
-                _remove_pd(oldpars, 'thick_flat'+str(k), 'thick_flat')
-                _remove_pd(oldpars, 'thick_inter'+str(k), 'thick_inter')
+            oldpars["CONTROL"] -= 1
+            # remove polydispersity from shells
+            for k in range(1, 11):
+                _remove_pd(oldpars, 'thick_flat'+str(k), 'thickness')
+                _remove_pd(oldpars, 'thick_inter'+str(k), 'interface')
+            # remove extra shells
+            for k in range(int(pars['n_shells']), 11):
+                oldpars.pop('sld_flat'+str(k), 0)
+                oldpars.pop('thick_flat'+str(k), 0)
+                oldpars.pop('thick_inter'+str(k), 0)
+                oldpars.pop('func_inter'+str(k), 0)
+                oldpars.pop('nu_inter'+str(k), 0)
         elif name == 'core_multi_shell':
             # kill extra shells
@@ -265 +274 @@
                     oldpars.pop(k, None)
 
+    #print("convert from",list(sorted(pars)))
+    #print("convert to",list(sorted(oldpars.items())))
     return oldpars
 
@@ -323 +334 @@
         elif name == 'spherical_sld':
             pars['n_shells'] = math.ceil(pars['n_shells'])
-            pars['npts_inter'] = math.ceil(pars['npts_inter'])
-            pars['func_inter0'] = math.trunc(pars['func_inter0']+0.5)
-            for k in range(1, 11):
-                pars['func_inter%d'%k] = math.trunc(pars['func_inter%d'%k]+0.5)
-                pars['thick_flat%d_pd_n'%k] = 0
-                pars['thick_inter%d_pd_n'%k] = 0
-
+            pars['n_steps'] = math.ceil(pars['n_steps'])
+            for k in range(1, 12):
+                pars['shape%d'%k] = math.trunc(pars['shape%d'%k]+0.5)
+            for k in range(2, 12):
+                pars['thickness%d_pd_n'%k] = 0
+                pars['interface%d_pd_n'%k] = 0
+