Changeset b514adf in sasmodels

Timestamp:

Nov 24, 2015 3:43:22 PM (9 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:

92da231

Parents:

062c56d

Message:

set constraints so multi_compare has fewer spurious errors

Location:

sasmodels

Files:

• compare.py (modified) (2 diffs)
• compare_many.py (modified) (5 diffs)

sasmodels/compare.py

@@ -130 +130 @@
     if name == 'capped_cylinder' and pars['cap_radius'] < pars['radius']:
         pars['radius'],pars['cap_radius'] = pars['cap_radius'],pars['radius']
+    if name == 'barbell' and pars['bell_radius'] < pars['radius']:
+        pars['radius'],pars['bell_radius'] = pars['bell_radius'],pars['radius']
+
+    # Limit guinier to an Rg such that Iq > 1e-30 (single precision cutoff)
+    if name == 'guinier':
+        #q_max = 0.2  # mid q maximum
+        q_max = 1.0  # high q maximum
+        rg_max = np.sqrt(90*np.log(10) + 3*np.log(pars['scale']))/q_max
+        pars['rg'] = min(pars['rg'],rg_max)
 
     # These constraints are only needed for comparison to sasview
@@ -247 +256 @@
         seed = int(opt_values['-random']) if '-random' in opt_values else None
         pars, seed = randomize_model(pars, seed=seed)
-        constrain_pars(model_definition, pars)
         print "Randomize using -random=%i"%seed
     pars.update(set_pars)  # set value after random to control value
+    constrain_pars(model_definition, pars)
 
     # parameter selection

sasmodels/compare_many.py

@@ -57 +57 @@
     num_good = 0
     first = True
+    max_diff = 0
     for k in range(N):
         print >>sys.stderr, name, k
@@ -73 +74 @@
             columns.extend(stats)
             labels.append('GPU single')
-            good = good and (stats[0] < 1e-14)
+            max_diff = max(max_diff, stats[0])
+            good = good and (stats[0] < 5e-5)
         if 0 and environment().has_double:
             gpu_double_value = trymodel(eval_opencl, dtype='double', cutoff=cutoff)
@@ -79 +81 @@
             columns.extend(stats)
             labels.append('GPU double')
-            good = good and (stats[0] < 1e-14)
+            max_diff = max(max_diff, stats[0])
+            good = good and (stats[0] < 1e-12)
         if 1:
             cpu_double_value = trymodel(eval_ctypes, dtype='double', cutoff=cutoff)
@@ -85 +88 @@
             columns.extend(stats)
             labels.append('CPU double')
-            good = good and (stats[0] < 1e-14)
+            max_diff = max(max_diff, stats[0])
+            good = good and (stats[0] < 1e-12)
         if 0:
             stats = get_stats(cpu_double_value, gpu_single_value, index)
             columns.extend(stats)
             labels.append('single/double')
-            good = good and (stats[0] < 1e-14)
+            max_diff = max(max_diff, stats[0])
+            good = good and (stats[0] < 5e-5)
 
         columns += [v for _,v in sorted(pars_i.items())]
@@ -100 +105 @@
         else:
             print(("%d,"%seed)+','.join("%g"%v for v in columns))
-    print '"%d/%d good"'%(num_good, N)
+    print '"good","%d/%d","max diff",%g'%(num_good, N, max_diff)