Changeset 2323 for trunk

Timestamp:

Jun 15, 2016 7:20:50 PM (9 years ago)

Author:

toby

Message:

prepare to calc s.u. for distance pseudo vars

Location:

trunk

Files:

• GSASIIgrid.py (modified) (2 diffs)
• GSASIIobj.py (modified) (3 diffs)

trunk/GSASIIgrid.py ¶

@@ -1462 +1462 @@
         self.SequentialMenu.Append(menu=self.SequentialPvars, title='Pseudo Vars')
         self.SequentialPvars.Append(
-            id=wxADDSEQVAR, kind=wx.ITEM_NORMAL,text='Add',
-            help='Add a new pseudo-variable')
+            id=wxADDSEQVAR, kind=wx.ITEM_NORMAL,text='Add Formula',
+            help='Add a new custom pseudo-variable')
         self.SequentialPvars.Append(
             id=wxADDSEQDIST, kind=wx.ITEM_NORMAL,text='Add Distance',
@@ -3441 +3441 @@
             calcobj.UpdateDict(PSvarDict)
             valList.append(calcobj.EvalExpression())
+            # if calcobj.su is not None: esdList[-1] = calcobj.su
         if not esdList:
             esdList = None

trunk/GSASIIobj.py ¶

@@ -1661 +1661 @@
         (list of 1-3 str values)'''
 
-        self.distance_stuff = None  # to be used for defining atom distances
+        self.distance_dict  = None  # to be used for defining atom phase/symmetry info
         self.distance_atoms = None  # to be used for defining atom distances
 
@@ -1938 +1938 @@
         not evaluation of expression.)
         '''
+        self.su = None
+        '''Standard error evaluation where supplied by the evaluator
+        '''
         # Patch: for old-style expressions with a (now removed step size)
         for v in self.eObj.assgnVars:
@@ -2041 +2044 @@
         then the result will be ``4.0``.
         '''
+        self.su = None
         if self.eObj.expression.startswith('Dist'):
             dist = 0
 #            GSASIIpath.IPyBreak()
             dist = G2mth.CalcDist(self.eObj.distance_dict, self.eObj.distance_atoms, self.parmDict)
-            return dist 
+            #self.su = G2mth.CalcDistSu(self.eObj.distance_dict, self.eObj.distance_atoms, self.parmDict)
+            return dist
         if self.compiledExpr is None:
             raise Exception,"EvalExpression called before SetupCalc"