Changeset 1637 for trunk/GSASIIpwd.py

Timestamp:

Feb 6, 2015 3:09:50 PM (8 years ago)

Author:

vondreele

Message:

fixes to peak indexing routines; new Inst argument for getHKLpeak messed up indexing routines. Now optional at end of arguments.
some more work on SS constraints.

File:

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

trunk/GSASIIpwd.py

@@ -796 +796 @@
     return lenR,dRdS
 
-def getHKLpeak(dmin,Inst,SGData,A):
+def getHKLpeak(dmin,SGData,A,Inst=None):
     'needs a doc string'
     HKL = G2lat.GenHLaue(dmin,SGData,A)        
@@ -803 +803 @@
         ext = G2spc.GenHKLf([h,k,l],SGData)[0]
         if not ext:
-            HKLs.append([h,k,l,d,G2lat.Dsp2pos(Inst,d),-1])
+            if Inst == None:
+                HKLs.append([h,k,l,d,0,-1])
+            else:
+                HKLs.append([h,k,l,d,G2lat.Dsp2pos(Inst,d),-1])
     return HKLs