Changeset 4980

Timestamp:

Jun 28, 2021 11:38:26 AM (3 months ago)

Author:

toby

Message:

Fix coeff. display for EQUIV

Location:

trunk

Files:

• GSASIIconstrGUI.py (modified) (3 diffs)
• GSASIIscriptable.py (modified) (2 diffs)

trunk/GSASIIconstrGUI.py

@@ -334 +334 @@
         
     def DisableOK(self,setting):
+        for id in range(len(self.data)):  # coefficient cannot be zero
+            if abs(self.data[id][0]) < 1.e-20:
+                setting  = False
+                break    
         if setting:
             self.OkBtn.Enable()
@@ -1191 +1195 @@
                         elif eqString[-1] != '':
                             eqString[-1] += ' = '
-                        m = normval/term[0]
+                        #m = normval/term[0]
+                        m = term[0]/normval
                         if m == 1:
                             eqString[-1] += '{:}'.format(var)
@@ -1271 +1276 @@
             constType = 'Equivalence'
             lbl = 'The following terms are set to be equal:'
-            dlg = ConstraintDialog(G2frame,constType,lbl,items,'/')
+            dlg = ConstraintDialog(G2frame,constType,lbl,items,'*')
         else:
             return

trunk/GSASIIscriptable.py

@@ -551 +551 @@
                       a string defining what values to refine.
                       Values can be any combination of 'F'
-                      for fractional occupancy, 'X' for position,
+                      for site fraction, 'X' for position,
                       and 'U' for Debye-Waller factor
 LeBail                Enables LeBail intensity extraction.
@@ -3973 +3973 @@
     @property
     def occupancy(self):
-        '''Get or set the associated atom's occupancy fraction
+        '''Get or set the associated atom's site fraction
         '''
         return self.data[self.cx+3]