Changeset 2876

Timestamp:

Jun 25, 2017 9:51:06 PM (6 years ago)

Author:

toby

Message:

allow variables to change during seq. ref.; fix error w/unused phases

Location:

trunk

Files:

• GSASIIgrid.py (modified) (1 diff)
• GSASIImapvars.py (modified) (2 diffs)
• GSASIIstrMain.py (modified) (3 diffs)

trunk/GSASIIgrid.py

@@ -3948 +3948 @@
         sigwtFrList = []
         for i,name in enumerate(histNames):
+            if name not in Phases[phase]['Histograms']:
+                wtFrList.append(None)
+                sigwtFrList.append(0.0)
+                continue
             wtFrSum = 0.
             for phase1 in Phases:
+                if name not in Phases[phase1]['Histograms']: continue
                 wtFrSum += Phases[phase1]['Histograms'][name]['Scale'][0]*Phases[phase1]['General']['Mass']
             var = str(Phases[phase]['pId'])+':'+str(i)+':Scale'

trunk/GSASIImapvars.py

@@ -538 +538 @@
     global dependentParmList,arrayList,invarrayList,indParmList,consNum
     msg = ''
+    shortmsg = ''
 
     # process fixed (held) variables
@@ -625 +626 @@
             #if unused > 0:# and unused != len(VarKeys(constrDict[rel])):
             if unused > 0 and unused != len(VarKeys(constrDict[rel])):
-                msg += "\nSome (but not all) variables in constraint are not defined:\n\t"
-                msg += _FormatConstraint(constrDict[rel],fixedList[rel])
-                msg += '\nNot used: ' + notused + '\n'
+                #msg += "\nSome (but not all) variables in constraint are not defined:\n\t"
+                #msg += _FormatConstraint(constrDict[rel],fixedList[rel])
+                #msg += '\nNot used: ' + notused + '\n'
+                shortmsg += notused+" not used in constraint "+_FormatConstraint(constrDict[rel],fixedList[rel])
             elif varied > 0 and varied != len(VarKeys(constrDict[rel])):
-                msg += "\nNot all variables refined in constraint:\n\t"
-                msg += _FormatConstraint(constrDict[rel],fixedList[rel])
-                msg += '\nNot refined: ' + notvaried + '\n'
+                #msg += "\nNot all variables refined in constraint:\n\t"
+                #msg += _FormatConstraint(constrDict[rel],fixedList[rel])
+                #msg += '\nNot refined: ' + notvaried + '\n'
+                shortmsg += notvaried+" not varied in constraint "+_FormatConstraint(constrDict[rel],fixedList[rel])
     # if there were errors found, go no farther
-    if msg and SeqHist is not None:
-        print ' *** Sequential refinement: ignoring constraint definition(s): ***'
-        print msg
+    if shortmsg and SeqHist is not None:
+        if msg:
+            print ' *** ERROR in constraint definitions! ***'
+            print msg
+            raise Exception
+        print '*** Sequential refinement: ignoring constraint definition(s): ***'
+        print shortmsg
         msg = ''
-    elif msg:
+    elif shortmsg:
+        msg += shortmsg
+    if msg:
         print ' *** ERROR in constraint definitions! ***'
         print msg

trunk/GSASIIstrMain.py

@@ -304 +304 @@
     NewparmDict = {}
     for ihst,histogram in enumerate(histNames):
-        print('Refining with '+str(histogram))
+        print('\nRefining with '+str(histogram))
         ifPrint = False
         if dlg:
@@ -343 +343 @@
         parmDict.update(histDict)
         if Controls['Copy2Next']:
-            parmDict.update(NewparmDict)
+            #parmDict.update(NewparmDict) # don't use in case extra entries would cause a problem
+            for parm in NewparmDict:
+                if parm in parmDict:
+                    parmDict[parm] = NewparmDict[parm]
         G2stIO.GetFprime(calcControls,Histo)
         # do constraint processing
@@ -381 +384 @@
         if newVaryList != firstVaryList and Controls['Copy2Next']:
             # variable lists are expected to match between sequential refinements when Copy2Next is on
-            print '**** ERROR - variable list for this histogram does not match previous'
-            print '     Copy of variables is not possible'
-            print '\ncurrent histogram',histogram,'has',len(newVaryList),'variables'
+            #print '**** ERROR - variable list for this histogram does not match previous'
+            #print '     Copy of variables is not possible'
+            #print '\ncurrent histogram',histogram,'has',len(newVaryList),'variables'
             combined = list(set(firstVaryList+newVaryList))
             c = [var for var in combined if var not in newVaryList]
             p = [var for var in combined if var not in firstVaryList]
-            line = 'Variables in previous but not in current: '
-            if c:
-                for var in c:
-                    if len(line) > 100:
-                        print line
-                        line = '    '
-                    line += var + ', '
-            else:
-                line += 'none'
-            print line
-            print '\nPrevious refinement has',len(firstVaryList),'variables'
-            line = 'Variables in current but not in previous: '
-            if p:
-                for var in p:
-                    if len(line) > 100:
-                        print line
-                        line = '    '
-                    line += var + ', '
-            else:
-                line += 'none'
-            print line
-            return False,line
+            print('*** Variables change ***')
+            for typ,vars in [('Removed',c),('Added',p)]:
+                line = '  '+typ+': '
+                if vars:
+                    for var in vars:
+                        if len(line) > 70:
+                            print(line)
+                            line = '    '
+                        line += var + ', '
+                else:
+                        line += 'none, '
+                print(line[:-2])
+            firstVaryList = newVaryList
         
         ifPrint = False