Changeset 1559 for trunk/GSASIIspc.py

Timestamp:

Nov 3, 2014 2:48:51 PM (8 years ago)

Author:

vondreele

Message:

use deepcopy for various copy operations in G2ddataGUI
use complementary colors to background for cell edges
trap superlattice in cubics
more fixes to cell indexing routines from possible use of superlattice
add HStrainVals to G2spc
use it (maybe) in G2strIO, Math
make arguments for GetReflPos? & GetReflPosDeriv? the same (use A not G)
add GetDij? to G2strMath
topas xye file comments start with "'" sometimes

File:

• trunk/GSASIIspc.py (modified) (1 diff)

trunk/GSASIIspc.py

@@ -1323 +1323 @@
         SHKL += ['S211','S121','S112']
         return SHKL
+        
+def HStrainVals(HSvals,SGData):
+    laue = SGData['SGLaue']
+    uniq = SGData['SGUniq']
+    DIJ = np.zeros(6)
+    if laue in ['m3','m3m']:
+        DIJ[:3] = [HSvals[0],HSvals[0],HSvals[0]]
+    elif laue in ['6/m','6/mmm','3m1','31m','3']:
+        DIJ[:4] = [HSvals[0],HSvals[0],HSvals[1],HSvals[0]]
+    elif laue in ['3R','3mR']:
+        DIJ = [HSvals[0],HSvals[0],HSvals[0],HSvals[1],HSvals[1],HSvals[1]]
+    elif laue in ['4/m','4/mmm']:
+        DIJ[:3] = [HSvals[0],HSvals[0],HSvals[1]]
+    elif laue in ['mmm']:
+        DIJ[:3] = [HSvals[0],HSvals[1],HSvals[2]]
+    elif laue in ['2/m']:
+        DIJ[:3] = [HSvals[0],HSvals[1],HSvals[2]]
+        if uniq == 'a':
+            DIJ[5] = HSvals[3]
+        elif uniq == 'b':
+            DIJ[4] = HSvals[3]
+        elif uniq == 'c':
+            DIJ[3] = HSvals[3]
+        return Dij
+    else:
+        DIJ = [HSvals[0],HSvals[1],HSvals[2],HSvals[3],HSvals[4],HSvals[5]]
+    return DIJ
 
 def HStrainNames(SGData):