Changeset fcd7bbd in sasmodels for sasmodels/generate.py

Timestamp:

Mar 16, 2016 9:27:13 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:

70bbb74

Parents:

63776d3

Message:

use named tuple for parameter information

File:

• sasmodels/generate.py (modified) (8 diffs)

sasmodels/generate.py

@@ -80 +80 @@
     is selected, or when an initial value is not otherwise specified.
 
-    [*lb*, *ub*] are the hard limits on the parameter value, used to limit
-    the polydispersity density function.  In the fit, the parameter limits
+    *limits = [lb, ub]* are the hard limits on the parameter value, used to
+    limit the polydispersity density function.  In the fit, the parameter limits
     given to the fit are the limits  on the central value of the parameter.
     If there is polydispersity, it will evaluate parameter values outside
@@ -216 +216 @@
 import re
 import string
+from collections import namedtuple
 
 import numpy as np
+
+PARAMETER_FIELDS = ['name', 'units', 'default', 'limits', 'type', 'description']
+Parameter = namedtuple('Parameter', PARAMETER_FIELDS)
 
 #TODO: determine which functions are useful outside of generate
@@ -293 +297 @@
     """
     column_widths = [
-        max(len(p[0]) for p in pars),
-        max(len(p[-1]) for p in pars),
-        max(len(format_units(p[1])) for p in pars),
+        max(len(p.name) for p in pars),
+        max(len(p.description) for p in pars),
+        max(len(format_units(p.units)) for p in pars),
         PARTABLE_VALUE_WIDTH,
         ]
@@ -310 +314 @@
     for p in pars:
         lines.append(" ".join([
-            "%-*s" % (column_widths[0], p[0]),
-            "%-*s" % (column_widths[1], p[-1]),
-            "%-*s" % (column_widths[2], format_units(p[1])),
-            "%*g" % (column_widths[3], p[2]),
+            "%-*s" % (column_widths[0], p.name),
+            "%-*s" % (column_widths[1], p.description),
+            "%-*s" % (column_widths[2], format_units(p.units)),
+            "%*g" % (column_widths[3], p.default),
             ]))
     lines.append(sep)
@@ -469 +473 @@
     fixed_2d = partype['fixed-1d']
 
-    iq_parameters = [p[0]
+    iq_parameters = [p.name
                      for p in model_info['parameters'][2:]  # skip scale, background
-                     if p[0] in set(fixed_1d + pd_1d)]
-    iqxy_parameters = [p[0]
+                     if p.name in set(fixed_1d + pd_1d)]
+    iqxy_parameters = [p.name
                        for p in model_info['parameters'][2:]  # skip scale, background
-                       if p[0] in set(fixed_2d + pd_2d)]
-    volume_parameters = [p[0]
+                       if p.name in set(fixed_2d + pd_2d)]
+    volume_parameters = [p.name
                          for p in model_info['parameters']
-                         if p[4] == 'volume']
+                         if p.type == 'volume']
 
     # Fill in defintions for volume parameters
@@ -606 +610 @@
 
     for p in pars:
-        name, ptype = p[0], p[4]
-        if ptype == 'volume':
-            partype['pd-1d'].append(name)
-            partype['pd-2d'].append(name)
-            partype['pd-rel'].add(name)
-        elif ptype == 'magnetic':
-            partype['fixed-2d'].append(name)
-        elif ptype == 'orientation':
-            partype['pd-2d'].append(name)
-        elif ptype == '':
-            partype['fixed-1d'].append(name)
-            partype['fixed-2d'].append(name)
+        if p.type == 'volume':
+            partype['pd-1d'].append(p.name)
+            partype['pd-2d'].append(p.name)
+            partype['pd-rel'].add(p.name)
+        elif p.type == 'magnetic':
+            partype['fixed-2d'].append(p.name)
+        elif p.type == 'orientation':
+            partype['pd-2d'].append(p.name)
+        elif p.type == '':
+            partype['fixed-1d'].append(p.name)
+            partype['fixed-2d'].append(p.name)
         else:
-            raise ValueError("unknown parameter type %r" % ptype)
-        partype[ptype].append(name)
+            raise ValueError("unknown parameter type %r" % p.type)
+        partype[p.type].append(p.name)
 
     return partype
@@ -628 +631 @@
     Process parameter block, precalculating parameter details.
     """
+    # convert parameters into named tuples
+    pars = [Parameter(*p) for p in model_info['parameters']]
     # Fill in the derived attributes
-    partype = categorize_parameters(model_info['parameters'])
-    model_info['limits'] = dict((p[0], p[3]) for p in model_info['parameters'])
+    model_info['parameters'] = pars
+    partype = categorize_parameters(pars)
+    model_info['limits'] = dict((p.name, p.limits) for p in pars)
     model_info['partype'] = partype
-    model_info['defaults'] = dict((p[0], p[2]) for p in model_info['parameters'])
+    model_info['defaults'] = dict((p.name, p.default) for p in pars)
     if model_info.get('demo', None) is None:
         model_info['demo'] = model_info['defaults']
@@ -649 +655 @@
     * *id* is the id of the kernel
     * *name* is the display name of the kernel
+    * *filename* is the full path to the module defining the file (if any)
     * *title* is a short description of the kernel
     * *description* is a long description of the kernel (this doesn't seem