Changeset 4133

Timestamp:

Sep 3, 2019 10:29:15 PM (3 years ago)

Author:

toby

Message:

seq ref: copynext for phase parms or get from SeqRef? table

Location:

trunk

Files:

• GSASIIscriptable.py (modified) (5 diffs)
• GSASIIstrMain.py (modified) (5 diffs)

trunk/GSASIIscriptable.py

@@ -108 +108 @@
 :meth:`G2Project.set_Controls`                        Set overall GSAS-II control settings such as number of cycles and to set up a sequential
                                                       fit. (Also see :meth:`G2Project.get_Controls` to read values.)
+:meth:`G2Project.imageMultiDistCalib`                 Performs a global calibration fit with images at multiple distance settings.
 ==================================================    ===============================================================================================================
 
@@ -791 +792 @@
     gpx.refine()  
 
+.. _ImageProc:
+
 ----------------------
 Image Processing
@@ -848 +851 @@
         c = img.getControls()
         print(c['distance'],c['wavelength'])
+
+.. _MultiDist_Example:
 
 This example performs a number of cycles of constrained fitting. 
@@ -2899 +2904 @@
         This may produce a better result if run more than once.
 
+        See :ref:`MultiDist_Example` for example code.
+
         :param str imageList: the images to include in the fit, if not specified 
           all images in the project will be included.
@@ -5024 +5031 @@
     >>> imlst[0].setControl('outAzimuths',3)
     >>> pwdrList = imlst[0].Integrate()
+ 
+    More detailed image processing examples are shown at :ref:`ImageProc`.
 
     '''

trunk/GSASIIstrMain.py

@@ -370 +370 @@
     SeqResult = G2stIO.GetSeqResult(GPXfile)
 #    SeqResult = {'SeqPseudoVars':{},'SeqParFitEqList':[]}
-    makeBack = True
     Histo = {}
     NewparmDict = {}
@@ -378 +377 @@
         G2fil.G2Print('\nRefining with '+str(histogram))
         G2mv.InitVars()
-        #print('before load',{i:phaseDict[i] for i in phaseDict if 'Ax:2' in i})
         (Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,
              FFtables,BLtables,MFtables,maxSSwave) = G2stIO.GetPhaseData(
                  Phases,restraintDict,rbIds,
                  Print=False,pFile=printFile,seqRef=True)
-        #print('before fit ',{i:phaseDict[i] for i in phaseDict if 'Ax:2' in i})
         ifPrint = False
         if dlg:
@@ -424 +421 @@
         parmDict.update(hapDict)
         parmDict.update(histDict)
-        if Controls['Copy2Next']:
+        if Controls['Copy2Next']:   # update with parms from last histogram
             #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]
+        elif histogram in SeqResult:  # update phase from last seq ref
+            NewparmDict = SeqResult[histogram].get('parmDict',{})
+            for parm in NewparmDict:
+                if '::' in parm and parm in parmDict:
+                    parmDict[parm] = NewparmDict[parm]
+            
         G2stIO.GetFprime(calcControls,Histo)
         # do constraint processing
@@ -526 +529 @@
             G2stIO.SetHistogramData(parmDict,sigDict,Histo,None,ifPrint,printFile)
             G2stIO.SaveUpdatedHistogramsAndPhases(GPXfile,Histo,Phases,rigidbodyDict,histRefData)
-            makeBack = False
             NewparmDict = {}
             # make dict of varied parameters in current histogram, renamed to
@@ -535 +537 @@
                 for parm in set(list(varyList)+list(varyListStart)):
                     items = parm.split(':')
-                    if len(items) < 3: continue
+                    if len(items) < 3: 
+                        continue
                     if str(hId) in items[1]:
                         items[1] = str(nexthId)
                         newparm = ':'.join(items)
                         NewparmDict[newparm] = parmDict[parm]
+                    else:
+                        if items[2].startswith('dA'): parm = parm.replace(':dA',':A') 
+                        NewparmDict[parm] = parmDict[parm]
+                    
 #        except G2obj.G2Exception(Msg):
 #            printFile.close()
 #            G2fil.G2Print (' ***** Refinement aborted *****')
 #            return False,Msg.msg
-        #print('after fit',{i:parmDict[i] for i in parmDict if 'Ax:2' in i})
         if GSASIIpath.GetConfigValue('Show_timing'):
             t2 = time.time()