Changeset 2715

Timestamp:

Feb 18, 2017 4:22:21 PM (5 years ago)

Author:

vondreele

Message:

put histogram numbers in sorted order for View LS parms
remove some commented lines from G2pwdrGUI
force seq refinement to skip unused phases in each histogram - hap parameters are ignored & seq results table shows blanks for them
seq plot plot skips blanks - leaves blank spots in any parameter line

Location:

trunk

Files:

• GSASII.py (modified) (1 diff)
• GSASIIgrid.py (modified) (3 diffs)
• GSASIIplot.py (modified) (4 diffs)
• GSASIIpwdGUI.py (modified) (1 diff)
• GSASIIstrIO.py (modified) (2 diffs)
• GSASIIstrMath.py (modified) (1 diff)

trunk/GSASII.py

@@ -18 +18 @@
 import os
 import sys
-import time
 import math
 import copy

trunk/GSASIIgrid.py

@@ -1498 +1498 @@
         self.globVars.sort()
         self.hisNames = [':'.join(item) for item in splitNames if not item[0]]
-        self.hisNums = [' ',]+list(set([item.split(':')[1] for item in self.hisNames]))
-        if '' in self.hisNums: self.hisNums.remove('')
+        self.hisNums = list(set([int(item.split(':')[1]) for item in self.hisNames]))
+        self.hisNums.sort()
+        self.hisNums = [' ',]+[str(item) for item in self.hisNums]
         self.hisVars = list(set([' ',]+[item[2] for item in splitNames if not item[0]]))
         self.hisVars.sort()
-        self.hisNums.sort()
         self.phasNames = [':'.join(item) for item in splitNames if not item[1] and 'is' not in item[2]]
         self.phasNums = [' ',]+list(set([item.split(':')[0] for item in self.phasNames]))
@@ -1614 +1614 @@
         subSizer.Add(wx.StaticText(self.panel,wx.ID_ANY,'value'),0,wx.ALIGN_RIGHT)
         explainRefine = False
-        time0 = time.time()
         for name in choiceDict[self.parmChoice]:
             # skip entries without numerical values
@@ -1645 +1644 @@
             subSizer.Add(wx.StaticText(self.panel,wx.ID_ANY,value),0,wx.ALIGN_RIGHT)
 
-        print time.time()-time0
         mainSizer.Add(subSizer,0)
         if explainRefine:

trunk/GSASIIplot.py

@@ -4187 +4187 @@
             'press L to toggle lines, S to select X axis, T to change titles (reselect column to show?)',1)
         Plot.clear()
+        colors=['b','g','r','c','m','k']
         if G2frame.seqXaxis is not None:    
             xName,X,Xsig = Page.seqTableGet(G2frame.seqXaxis)
@@ -4192 +4193 @@
             X = np.arange(0,G2frame.SeqTable.GetNumberRows(),1)
             xName = 'Data sequence number'
-        for col in Page.seqYaxisList:
+        for ic,col in enumerate(Page.seqYaxisList):
+            Ncol = colors[ic%6]
             name,Y,sig = Page.seqTableGet(col)
             # deal with missing (None) values
@@ -4199 +4201 @@
             Ysnew = []
             for i in range(len(X)):
-                if X[i] is None or Y[i] is None: continue
+                if X[i] is None or Y[i] is None:
+                    if Ysnew:
+                        if G2frame.seqReverse and not G2frame.seqXaxis:
+                            Ynew = Ynew[::-1]
+                            Ysnew = Ysnew[::-1]
+                        if G2frame.seqLines:
+                            Plot.errorbar(Xnew,Ynew,yerr=Ysnew,color=Ncol)
+                        else:
+                            Plot.errorbar(Xnew,Ynew,yerr=Ysnew,linestyle='None',color=Ncol,marker='x')
+                    else:
+                        if G2frame.seqReverse and not G2frame.seqXaxis:
+                            Ynew = Ynew[::-1]
+                        Plot.plot(Xnew,Ynew,color=Ncol)
+                        Plot.plot(Xnew,Ynew,'o',color=Ncol)
+                    Xnew = []
+                    Ynew = []
+                    Ysnew = []
+                    continue
                 Xnew.append(X[i])
                 Ynew.append(Y[i])
@@ -4208 +4227 @@
                     Ysnew = Ysnew[::-1]
                 if G2frame.seqLines:
-                    Plot.errorbar(Xnew,Ynew,yerr=Ysnew,label=name)
+                    Plot.errorbar(Xnew,Ynew,yerr=Ysnew,color=Ncol,label=name)
                 else:
-                    Plot.errorbar(Xnew,Ynew,yerr=Ysnew,label=name,linestyle='None',marker='x')
+                    Plot.errorbar(Xnew,Ynew,yerr=Ysnew,label=name,linestyle='None',color=Ncol,marker='x')
             else:
                 if G2frame.seqReverse and not G2frame.seqXaxis:
                     Ynew = Ynew[::-1]
-                Plot.plot(Xnew,Ynew)
-                Plot.plot(Xnew,Ynew,'o',label=name)
+                Plot.plot(Xnew,Ynew,color=Ncol)
+                Plot.plot(Xnew,Ynew,'o',color=Ncol,label=name)
         if Page.fitvals: # TODO: deal with fitting of None values
             if G2frame.seqReverse and not G2frame.seqXaxis:

trunk/GSASIIpwdGUI.py

@@ -3591 +3591 @@
                 G2frame.RefList = ''
                 phaseName = ''
-#    if phaseName not in G2frame.refTable:
-#        print phaseName
-#        print phases
-#        raise Exception("how did we get a invalid phase name?")    
     if phaseName:
         ShowReflTable(phaseName)
-#    G2frame.refTable[phaseName].Fit()   #slow!!
-#    size = G2frame.refTable[phaseName].GetSize()
-#    G2frame.dataFrame.setSizePosLeft([size[0]+32,350])
     G2frame.dataFrame.setSizePosLeft([550,350])
     G2frame.dataDisplay.Bind(wx.aui.EVT_AUINOTEBOOK_PAGE_CHANGED, OnPageChanged)

trunk/GSASIIstrIO.py

@@ -2215 +2215 @@
             except KeyError:                        
                 #skip if histogram not included e.g. in a sequential refinement
+                continue
+            if not HistoPhase[histogram]['Use']:        #remove previously created  & now unused phase reflection list
+                if phase in Histograms[histogram]['Reflection Lists']:
+                    del Histograms[histogram]['Reflection Lists'][phase]
                 continue
             hapData = HistoPhase[histogram]
@@ -2655 +2659 @@
                 #skip if histogram not included e.g. in a sequential refinement
                 continue
+            if not Phases[phase]['Histograms'][histogram]['Use']:
+                #skip if phase absent from this histogram
+                continue
             hapData = HistoPhase[histogram]
             hId = Histogram['hId']

trunk/GSASIIstrMath.py

@@ -401 +401 @@
         pWsum[name] = 0.0
         for hist in Phases[phase]['Histograms']:
+            if not Phases[phase]['Histograms'][hist]['Use']:
+                continue
             if hist in Histograms and 'PWDR' in hist:
                 hId = Histograms[hist]['hId']