Changeset 4628

Timestamp:

Oct 27, 2020 4:47:16 PM (5 years ago)

Author:

toby

Message:

fixup display of sequential refinement messages

Location:

trunk

Files:

• GSASIIdataGUI.py (modified) (1 diff)
• GSASIIstrIO.py (modified) (2 diffs)
• GSASIIstrMain.py (modified) (5 diffs)

trunk/GSASIIdataGUI.py ¶

@@ -7732 +7732 @@
         Types += [wg.GRID_VALUE_FLOAT+':10,5',]
     deltaChiCol = len(colLabels)-1
+    # frozen variables?
+    f = [len(Controls['parmFrozen'].get(h,[])) for h in histNames]
+    if any(f):
+        G2frame.colList += [f]
+        G2frame.colSigs += [None]
+        colLabels += ['frozen']
+        Types += [wg.GRID_VALUE_LONG]
     # add changing sample parameters to table
     for key in sampleParms:

trunk/GSASIIstrIO.py ¶

@@ -3467 +3467 @@
     return histVary,histDict,controlDict
     
-def SetHistogramData(parmDict,sigDict,Histograms,FFtables,Print=True,pFile=None):
-    'needs a doc string'
+def SetHistogramData(parmDict,sigDict,Histograms,FFtables,Print=True,pFile=None,seq=False):
+    'Shows histogram data after a refinement'
     
     def SetBackgroundParms(pfx,Background,parmDict,sigDict):
@@ -3660 +3660 @@
             sampSig = SetSampleParms(pfx,Sample,parmDict,sigDict)
 
-            pFile.write('\n Histogram: %s histogram Id: %d\n'%(histogram,hId))
-            pFile.write(135*'='+'\n')
+            if not seq:
+                pFile.write('\n Histogram: %s histogram Id: %d\n'%(histogram,hId))
+                pFile.write(135*'='+'\n')
             pFile.write(' PWDR histogram weight factor = '+'%.3f\n'%(Histogram['wtFactor']))
             pFile.write(' Final refinement wR = %.2f%% on %d observations in this histogram\n'%

trunk/GSASIIstrMain.py ¶

@@ -550 +550 @@
 
         ifSeq = True
-        printFile.write('\n Refinement results for histogram: %s\n'%histogram)
+        printFile.write('\n Refinement results for histogram id {}: {}\n'
+                            .format(hId,histogram))
         printFile.write(135*'-'+'\n')
         # remove frozen vars
@@ -561 +562 @@
         if len(frozenList) != 0: 
            varyList = [i for i in varyList if i not in parmFrozenList]
+           s = ''
+           for a in frozenList:
+               if s:
+                   s+= ', '
+               s += a
            printFile.write(
-               ' The following refined variables have previously been frozen due to exceeding limits\n\t:{}\n'
-               .format(frozenList))
+               ' The following refined variables have previously been frozen due to exceeding limits:\n\t{}\n'
+               .format(s))
         try:
             IfOK,Rvals,result,covMatrix,sig = RefineCore(Controls,Histo,Phases,restraintDict,
@@ -583 +589 @@
             # check for variables outside their allowed range, reset and freeze them
             frozen = dropOOBvars(varyList,parmDict,sigDict,Controls,parmFrozenList)
+            msg = None
             if len(frozen) > 0:
                msg = ('Hist {}: {} variables were outside limits and were frozen (now {} frozen total)'
                    .format(ihst,len(frozen),len(parmFrozenList)))
                G2fil.G2Print(msg)
-               printFile.write(msg+'\n')
+               msg = (' {} variables were outside limits and were frozen (now {} frozen total)'
+                   .format(len(frozen),len(parmFrozenList)))
                for p in frozen:
                    if p not in varyList:
@@ -611 +619 @@
 #            G2stIO.SetRigidBodyModels(parmDict,sigDict,rigidbodyDict,printFile)
             G2stIO.SetHistogramPhaseData(parmDict,sigDict,Phases,Histo,None,ifPrint,printFile)
-            G2stIO.SetHistogramData(parmDict,sigDict,Histo,None,ifPrint,printFile)
+            G2stIO.SetHistogramData(parmDict,sigDict,Histo,None,ifPrint,printFile,seq=True)
             G2stIO.SaveUpdatedHistogramsAndPhases(GPXfile,Histo,Phases,rigidbodyDict,histRefData,Controls['parmFrozen'])
+            if msg: 
+                printFile.write(msg+'\n')
             NewparmDict = {}
             # make dict of varied parameters in current histogram, renamed to
@@ -656 +666 @@
         postFrozenCount += len(Controls['parmFrozen'][h])
     if postFrozenCount:
-        msgs['Frozen'] = 'Ending refinement with {} Frozen variables ({} added here)\n'.format(postFrozenCount,postFrozenCount-preFrozenCount)
-        printFile.write('\n '+msg)
+        msgs['Frozen'] = 'Ending refinement with {} Frozen variables ({} added now)\n'.format(postFrozenCount,postFrozenCount-preFrozenCount)
+        printFile.write('\n'+msgs['Frozen'])
     printFile.close()
     G2fil.G2Print (' Sequential refinement results are in file: '+ospath.splitext(GPXfile)[0]+'.lst')