Prevent forced isotropy of Uij-s for new atoms.

Always assume general anisotropic displacement parameters for all atoms.
This would be better to handled with an extra column for isotropy flags.

Fixes inability to set anisotropic Uij-s for new atoms.

Author: pavoljuhas

diffpy/pdfgui/control/fitstructure.py

@@ -114,6 +114,9 @@ def read(self, filename, format='auto'):
         p = PDFStructure.read(self, filename, format)
         # update data only after successful reading
         self._update_custom_spacegroup(p)
+        # FIXME Temporary workaround to prevent forced isotropy of the Uij
+        # values.  To be removed and handled by atom isotropy column.
+        self.anisotropy = True
         return p
 
 
@@ -127,6 +130,9 @@ def readStr(self, s, format='auto'):
         p = PDFStructure.readStr(self, s, format)
         # update data only after successful reading
         self._update_custom_spacegroup(p)
+        # FIXME Temporary workaround to prevent forced isotropy of the Uij
+        # values.  To be removed and handled by atom isotropy column.
+        self.anisotropy = True
         return p
 
 
@@ -265,6 +271,11 @@ def insertAtoms(self, index, atomlist):
         atomlist -- list of atom instances.
         """
         acd = self._popAtomConstraints()
+        # FIXME Temporary workaround to prevent forced isotropy of the Uij
+        # values.  To be removed and handled by atom isotropy column.
+        for a in atomlist:
+            a.anisotropy = True
+        # workaround ends here.
         self.initial[index:index] = atomlist
         self._restoreAtomConstraints(acd)
         return