Changeset 3599

Timestamp:

Sep 13, 2018 1:58:35 PM (5 years ago)

Author:

toby

Message:

remove vars from constraints (see G2obj.removeNonRefined); new tutorial

Location:

trunk

Files:

• GSASIIconstrGUI.py (modified) (4 diffs)
• GSASIIctrlGUI.py (modified) (1 diff)
• GSASIIobj.py (modified) (1 diff)
• help/Tutorials.html (modified) (1 diff)

trunk/GSASIIconstrGUI.py

@@ -175 +175 @@
     globalList = list(rbDict.keys())
     globalList.sort()
+    globalList = G2obj.removeNonRefined(globalList)   # remove any non-refinable prms from list
     try:
         AtomDict = dict([Phases[phase]['pId'],Phases[phase]['Atoms']] for phase in Phases)
     except KeyError:
         G2frame.ErrorDialog('Constraint Error','Constraints cannot be set until a cycle of least squares'+
-                            'has been run.\nWe suggest you refine a scale factor.')
+                            ' has been run.\nWe suggest you refine a scale factor.')
         return
 
@@ -203 +204 @@
             phaseAtNames[item] = ''
             phaseAtTypes[item] = ''
+    phaseList = G2obj.removeNonRefined(phaseList)  # remove any non-refinable prms from list
              
     # create a list of the hist*phase variables
@@ -221 +223 @@
             if sj not in wildList: wildList.append(sj)
         hapList = wildList
+    hapList = G2obj.removeNonRefined(hapList)  # remove any non-refinable prms from list
     histVary,histDict,controlDict = G2stIO.GetHistogramData(histDict,Print=False)
-    histList = []
-    for item in histDict:
-        if item.split(':')[2] not in ['Omega','Type','Chi','Phi',
-                                      'Azimuth','Gonio. radius',
-                                      'Lam1','Lam2','Back','Temperature','Pressure',
-                                      'FreePrm1','FreePrm2','FreePrm3',
-                                      ]:
-            histList.append(item)
+    histList = list(histDict.keys())
     histList.sort()
     if seqList: # convert histogram # to wildcard
@@ -240 +236 @@
             if sj not in wildList: wildList.append(sj)
         histList = wildList
+    histList = G2obj.removeNonRefined(histList)  # remove any non-refinable prms from list
     Indx = {}
     G2frame.Page = [0,'phs']

trunk/GSASIIctrlGUI.py

@@ -5053 +5053 @@
      '''This shows how to get an initial estimate of background parameters from a suite of fixed points 
      before beginning Rietveld refinement.'''],
+    ['RietPlot', 'PublicationPlot.htm', 'Create a Publication-Ready Rietveld Plot',
+     '''Shows how to create a customized version of a plot from a fit, 
+     with enlarged letters, different colors or symbols which can be written 
+     as a bitmap file, a pdf file or be exported to the Grace or Igor Pro 
+     plotting programs.'''],
     
     ['Parametric sequential fitting'],

trunk/GSASIIobj.py

@@ -1554 +1554 @@
         reVarDesc[re.compile(key)] = value
 
+def removeNonRefined(parmList):
+    '''Remove items from variable list that are not refined and should not 
+    appear as options for constraints
+
+    :param list parmList: a list of strings of form "p:h:VAR:a" where
+      VAR is the variable name
+
+    :returns: a list after removing variables where VAR matches a 
+      entry in local variable NonRefinedList
+    '''
+    NonRefinedList = ['Omega','Type','Chi','Phi', 'Azimuth','Gonio. radius',
+                          'Lam1','Lam2','Back','Temperature','Pressure',
+                          'FreePrm1','FreePrm2','FreePrm3',
+                          'Source','nPeaks','LeBail','newLeBail','Bank',
+                          'nDebye', #'',
+                    ]
+    return [prm for prm in parmList if prm.split(':')[2] not in NonRefinedList]
+        
 def getDescr(name):
     '''Return a short description for a GSAS-II variable

trunk/help/Tutorials.html

@@ -40 +40 @@
 <blockquote><I>This shows how to get an initial estimate of background parameters from a suite of fixed points 
      before beginning Rietveld refinement.</I></blockquote>
+<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/RietPlot/PublicationPlot.htm">Create a Publication-Ready Rietveld Plot</A>
+ [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/RietPlot/data">Exercise files</A>].
+<blockquote><I>Shows how to create a customized version of a plot from a fit, 
+     with enlarged letters, different colors or symbols which can be written 
+     as a bitmap file, a pdf file or be exported to the Grace or Igor Pro 
+     plotting programs.</I></blockquote>
 </UL><h4>Parametric sequential fitting</H4><UL>
 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SeqRefine/SequentialTutorial.htm">Sequential refinement of multiple datasets</A>