Changeset eeb772e in sasmodels for sasmodels/modelinfo.py

Timestamp:

Apr 1, 2019 8:54:03 AM (5 years ago)

Author:

GitHub <noreply@…>

Parents:

3448301 (diff), 7eb2a4d (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

git-author:

Paul Kienzle <pkienzle@…> (04/01/19 08:54:03)

git-committer:

GitHub <noreply@…> (04/01/19 08:54:03)

Message:

Merge 7eb2a4d86ee338d6e6039653d7b0020d13b0573b into 34483013ffb02edbec666039a8c85e18f605b690

File:

• sasmodels/modelinfo.py (modified) (6 diffs)

sasmodels/modelinfo.py

@@ -70 +70 @@
         processed.append(parse_parameter(*p))
     partable = ParameterTable(processed)
-    partable.check_angles()
+    partable.check_angles(strict=True)
     return partable
 
@@ -446 +446 @@
         # properties, such as default=0.0 for structure factor backgrounds.
         self.common_parameters = [Parameter(*p) for p in COMMON_PARAMETERS]
-
         self.kernel_parameters = parameters
         self._set_vector_lengths()
@@ -495 +494 @@
         self.pd_2d = set(p.name for p in self.call_parameters if p.polydisperse)
 
+        # Final checks
+        self.check_duplicates()
+        self.check_angles()
+
     def set_zero_background(self):
         """
@@ -506 +509 @@
         self.defaults = self._get_defaults()
 
-    def check_angles(self):
+    def check_angles(self, strict=False):
         """
         Check that orientation angles are theta, phi and possibly psi.
+
+        *strict* should be True when checking a parameter table defined
+        in a model file, but False when checking from mixture models, etc.,
+        where the parameters aren't being passed to a calculator directly.
         """
         theta = phi = psi = -1
@@ -524 +531 @@
                 if p.type != 'orientation':
                     raise TypeError("psi must be an orientation parameter")
-            elif p.type == 'orientation':
+            elif strict and p.type == 'orientation':
                 raise TypeError("only theta, phi and psi can be orientation parameters")
         if theta >= 0 and phi >= 0:
@@ -532 +539 @@
             if psi >= 0 and psi != phi+1:
                 raise TypeError("psi must follow phi")
-            if (psi >= 0 and psi != last_par) or (psi < 0 and phi != last_par):
+            # TODO: Why must theta/phi/psi be at the end?  Consistency only?
+            if strict and phi != last_par and psi != last_par:
                 raise TypeError("orientation parameters must appear at the "
                                 "end of the parameter table")
         elif theta >= 0 or phi >= 0 or psi >= 0:
             raise TypeError("oriented shapes must have both theta and phi and maybe psi")
+
+    def check_duplicates(self):
+        """
+        Check for duplicate parameter names
+        """
+        checked, dups = set(), set()
+        for p in self.call_parameters:
+            if p.id in checked:
+                dups.add(p.id)
+            else:
+                checked.add(p.id)
+        if dups:
+            raise TypeError("Duplicate parameters: {}"
+                            .format(", ".join(sorted(dups))))
 
     def __getitem__(self, key):