Changeset 3474 for trunk/GSASIIlattice.py

Timestamp:

Jul 16, 2018 4:07:12 PM (7 years ago)

Author:

vondreele

Message:

remove wx.Validator_IsSilent(): wx.Bell() from 2 places in G2ctrlGUI; doesn't exist in phoenix & not really needed.
add check of atom types for GetUnique? in G2lattice for transform of unit cell contents
modify OnTransform? & TransformDialog? to allow cancel & retry before committing to a new phase

File:

• trunk/GSASIIlattice.py (modified) (2 diffs)

trunk/GSASIIlattice.py ¶

@@ -393 +393 @@
                     mom = np.inner(np.array(atom[cm:cm+3]),Bmat)
                     atom[cm:cm+3] = np.inner(np.inner(mom,M),Amat)*nl.det(M)*SpnFlp[opNum-1]
-#                GSASIIpath.IPyBreak()
                 atCodes.append('%d:%s'%(iat,str(item[1])))
                 atomData.append(atom[:cia+9])  #not SS stuff
@@ -423 +422 @@
             xyz = XYZ[ind]
             for jnd in range(Ind):
-                if ind != jnd and Indx[jnd]:                        
-                    Equiv = G2spc.GenAtom(XYZ[jnd],SGData,Move=True)
-                    xyzs = np.array([equiv[0] for equiv in Equiv])
-                    Indx[jnd] = noDuplicate(xyz,xyzs,Amat)
+                if Atoms[ind][ct] == Atoms[jnd][ct]:
+                    if ind != jnd and Indx[jnd]:                        
+                        Equiv = G2spc.GenAtom(XYZ[jnd],SGData,Move=True)
+                        xyzs = np.array([equiv[0] for equiv in Equiv])
+                        Indx[jnd] = noDuplicate(xyz,xyzs,Amat)
     Ind = []
     for ind in Indx: