Changeset 3390 for trunk/GSASIIspc.py

Timestamp:

May 16, 2018 10:31:09 AM (5 years ago)

Author:

vondreele

Message:

fix issue with deleted phases in Restraints - they are now deleted from Restraints tree if selected
fix issue of a phase not used in any histogram - any set refine flags cause crash in refinement
now a phase is included in phase list if it is Used in any histogrsm - fixes to GetUsedHistogramsAndPhases? in G2strIO and GetUsedHistogramsAndPhasesfromTree? in G2dataGUI.
also some weird business in G2spc - had to swap two routines (SGProd & GetLittleGrpOps?) before debug in Spyder would load GSAS-II.

File:

• trunk/GSASIIspc.py (modified) (3 diffs)

trunk/GSASIIspc.py

@@ -1727 +1727 @@
         print (l)
         
+def SGProd(OpA,OpB):
+    '''
+    Form space group operator product. OpA & OpB are [M,V] pairs; 
+        both must be of same dimension (3 or 4). Returns [M,V] pair
+    '''
+    A,U = OpA
+    B,V = OpB
+    M = np.inner(B,A.T)
+    W = np.inner(B,U)+V
+    return M,W
+        
 def GetLittleGrpOps(SGData,vec):
     ''' Find rotation part of operators that leave vec unchanged
@@ -1743 +1754 @@
             Little.append([M,T])
     return Little
-        
-def SGProd(OpA,OpB):
-    '''
-    Form space group operator product. OpA & OpB are [M,V] pairs; 
-        both must be of same dimension (3 or 4). Returns [M,V] pair
-    '''
-    A,U = OpA
-    B,V = OpB
-    M = np.inner(B,A.T)
-    W = np.inner(B,U)+V
-    return M,W
         
 def MoveToUnitCell(xyz):
@@ -1903 +1903 @@
     return iabsnt,mulp,Uniq,phi
 
-def MagHKLchk(HKL,SGData):
-    SpnFlp = SGData['SpnFlp']
-    print(HKL)
-    Uniq = GenHKL(HKL,SGData)
+#def MagHKLchk(HKL,SGData):
+#    SpnFlp = SGData['SpnFlp']
+#    print(HKL)
+#    Uniq = GenHKL(HKL,SGData)
     
 def checkSSLaue(HKL,SGData,SSGData):