Changeset 8bd7b77 in sasmodels

Timestamp:

Apr 7, 2016 2:00:23 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:

6e7ff6d

Parents:

4937980

Message:

respect parameter limits during compare random

Location:

sasmodels

Files:

• compare.py (modified) (7 diffs)
• compare_many.py (modified) (1 diff)
• convert.json (modified) (1 diff)
• convert.py (modified) (1 diff)

sasmodels/compare.py

@@ -209 +209 @@
     Choose a parameter range based on parameter name and initial value.
     """
+    # process the polydispersity options
     if p.endswith('_pd_n'):
         return [0, 100]
@@ -221 +222 @@
         else:
             return [-180, 180]
+    elif p.endswith('_pd'):
+        return [0, 1]
     elif 'sld' in p:
         return [-0.5, 10]
-    elif p.endswith('_pd'):
-        return [0, 1]
     elif p == 'background':
         return [0, 10]
     elif p == 'scale':
         return [0, 1e3]
-    elif p == 'case_num':
-        # RPA hack
-        return [0, 10]
     elif v < 0:
-        # Kxy parameters in rpa model can be negative
         return [2*v, -2*v]
     else:
@@ -239 +236 @@
 
 
-def _randomize_one(p, v):
+def _randomize_one(model_info, p, v):
     """
     Randomize a single parameter.
@@ -245 +242 @@
     if any(p.endswith(s) for s in ('_pd_n', '_pd_nsigma', '_pd_type')):
         return v
+
+    # Find the parameter definition
+    for par in model_info['parameters'].call_parameters:
+        if par.name == p:
+            break
     else:
-        return np.random.uniform(*parameter_range(p, v))
-
-
-def randomize_pars(pars, seed=None):
+        raise ValueError("unknown parameter %r"%p)
+
+    if len(par.limits) > 2:  # choice list
+        return np.random.randint(len(par.limits))
+
+    limits = par.limits
+    if not np.isfinite(limits).all():
+        low, high = parameter_range(p, v)
+        limits = (max(limits[0], low), min(limits[1], high))
+
+    return np.random.uniform(*limits)
+
+
+def randomize_pars(model_info, pars, seed=None):
     """
     Generate random values for all of the parameters.
@@ -260 +272 @@
     with push_seed(seed):
         # Note: the sort guarantees order `of calls to random number generator
-        pars = dict((p, _randomize_one(p, v))
+        pars = dict((p, _randomize_one(model_info, p, v))
                     for p, v in sorted(pars.items()))
     return pars
@@ -293 +305 @@
         # Make sure phi sums to 1.0
         if pars['case_num'] < 2:
-            pars['Phia'] = 0.
-            pars['Phib'] = 0.
+            pars['Phi1'] = 0.
+            pars['Phi2'] = 0.
         elif pars['case_num'] < 5:
-            pars['Phia'] = 0.
-        total = sum(pars['Phi'+c] for c in 'abcd')
-        for c in 'abcd':
+            pars['Phi1'] = 0.
+        total = sum(pars['Phi'+c] for c in '1234')
+        for c in '1234':
             pars['Phi'+c] /= total
 
@@ -805 +817 @@
     #pars.update(set_pars)  # set value before random to control range
     if opts['seed'] > -1:
-        pars = randomize_pars(pars, seed=opts['seed'])
+        pars = randomize_pars(model_info, pars, seed=opts['seed'])
         print("Randomize using -random=%i"%opts['seed'])
     if opts['mono']:

sasmodels/compare_many.py

@@ -108 +108 @@
 
     if is_2d:
-        if not model_info['has_2d']:
+        if not model_info['parameters'].has_2d:
             print(',"1-D only"')
             return

sasmodels/convert.json

@@ -602 +602 @@
     "RPAModel", 
     {
+      "N1": "Na", "N2": "Nb", "N3": "Nc", "N4": "Nd",
+      "L1": "La", "L2": "Lb", "L3": "Lc", "L4": "Ld",
+      "v1": "va", "v2": "vb", "v3": "vc", "v4": "vd",
+      "b1": "ba", "b2": "bb", "b3": "bc", "b4": "bd",
+      "Phi1": "Phia", "Phi2": "Phib", "Phi3": "Phic", "Phi4": "Phid",
       "case_num": "lcase_n"
     }

sasmodels/convert.py

@@ -206 +206 @@
         elif name == 'rpa':
             # convert scattering lengths from femtometers to centimeters
-            for p in "La", "Lb", "Lc", "Ld":
+            for p in "L1", "L2", "L3", "L4":
                 if p in oldpars: oldpars[p] *= 1e-13
         elif name == 'core_shell_parallelepiped':