Changeset 1138 for trunk/GSASIIstrMain.py

Timestamp:

Nov 7, 2013 12:12:55 PM (12 years ago)

Author:

toby

Message:

major constraints revision

File:

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

trunk/GSASIIstrMain.py ¶

@@ -58 +58 @@
     calcControls = {}
     calcControls.update(Controls)            
-    constrDict,fixedList = G2stIO.GetConstraints(GPXfile)
+    constrDict,fixedList = G2stIO.GetConstraints(GPXfile) # better to pass in Histograms,Phases
     restraintDict = G2stIO.GetRestraints(GPXfile)
     Histograms,Phases = G2stIO.GetUsedHistogramsAndPhases(GPXfile)
+    G2obj.IndexAllIds(Histograms=Histograms,Phases=Phases)
     if not Phases:
         print ' *** ERROR - you have no phases! ***'
@@ -91 +92 @@
     try:
         groups,parmlist = G2mv.GroupConstraints(constrDict)
+        #G2mv.debug = True # DEBUG
         G2mv.GenerateConstraints(groups,parmlist,varyList,constrDict,fixedList)
+        #G2mv.debug = False # DEBUG
     except:
         print ' *** ERROR - your constraints are internally inconsistent ***'
@@ -98 +101 @@
         if warnmsg: print 'Warnings',warnmsg
         raise Exception(' *** Refine aborted ***')
+    #raise Exception(' *** Refine DEBUG ***') # DEBUG
     # # check to see which generated parameters are fully varied
     # msg = G2mv.SetVaryFlags(varyList)