Changeset 1596

Timestamp:

Dec 5, 2014 1:50:37 PM (9 years ago)

Author:

vondreele

Message:

some bug fixes

Location:

trunk

Files:

• GSASIIlattice.py (modified) (1 diff)
• GSASIIphsGUI.py (modified) (3 diffs)
• GSASIIplot.py (modified) (2 diffs)
• GSASIIstrIO.py (modified) (3 diffs)
• GSASIIstrMath.py (modified) (1 diff)

trunk/GSASIIlattice.py

@@ -877 +877 @@
                     if G2spc.checkSSextc(HKLM,SSGData):
                         HKLs.append([h,k,l,dH,d])    
-    return sortHKLd(HKLs,True,True,True)
+    return HKLs
 
 #Spherical harmonics routines

trunk/GSASIIphsGUI.py

@@ -5011 +5011 @@
             
         # FillPawleyReflectionsGrid executable starts here
-        G2frame.dataFrame.SetStatusText('To delete a few Pawley reflections: select rows & press Delete')                        
+        G2frame.dataFrame.SetStatusText('To delete a Pawley reflection: select row & press Delete')                        
         generalData = data['General']
         if 'Pawley ref' in data:
@@ -5059 +5059 @@
                         mul *= 2        #for powder multiplicity
                         PawleyPeaks.append([h,k,l,m,mul,d,False,100.0,1.0])
+                PawleyPeaks = G2mth.sortArray(PawleyPeaks,5,reverse=True)
             finally:
                 wx.EndBusyCursor()
@@ -5069 +5070 @@
                         mul *= 2        #for powder multiplicity
                         PawleyPeaks.append([h,k,l,mul,d,False,100.0,1.0])
+                PawleyPeaks = G2mth.sortArray(PawleyPeaks,4,reverse=True)
             finally:
                 wx.EndBusyCursor()

trunk/GSASIIplot.py

@@ -1354 +1354 @@
                 try:
                     for peak in Phases[G2frame.RefList]['RefList']:
-                        HKL.append(peak[:6])
+                        if len(peak) > 15:
+                            HKL.append(peak[:7])
+                        else:
+                            HKL.append(peak[:6])
                 except TypeError:   #old style patch
                     for peak in Phases[G2frame.RefList]:
@@ -1639 +1642 @@
                 if not len(peaks):
                     continue
-                peak = np.array([[peak[4],peak[5]] for peak in peaks])
+                if len(peaks[0]) > 15:
+                    peak = np.array([[peak[5],peak[6]] for peak in peaks])
+                else:
+                    peak = np.array([[peak[4],peak[5]] for peak in peaks])
                 pos = G2frame.refOffset-pId*Ymax*G2frame.refDelt*np.ones_like(peak)
                 if G2frame.qPlot:

trunk/GSASIIstrIO.py

@@ -1907 +1907 @@
                     if hapData['Babinet']['BabA'][0]:
                         PrintBabinet(hapData['Babinet'])                        
-                if Phases[phase]['General']['Type'] in ['modulated','magnetic']:
-                    HKLd = G2lat.GenSSHLaue(dmin,SGData,SSGData,Vec,maxH,A)
-                else:
-                    HKLd = np.array(G2lat.GenHLaue(dmin,SGData,A))
                 if resetRefList:
                     refList = []
@@ -1916 +1912 @@
                     Phi = []
                     if Phases[phase]['General']['Type'] in ['modulated','magnetic']:
+                        HKLd = np.array(G2lat.GenSSHLaue(dmin,SGData,SSGData,Vec,maxH,A))
+                        HKLd = G2mth.sortArray(HKLd,4,reverse=True)
                         for h,k,l,m,d in HKLd:
                             ext,mul,uniq,phi = G2spc.GenHKLf([h,k,l],SGData)    #is this right for SS refl.??
@@ -1936 +1934 @@
                                         Phi.append(phi)
                     else:
+                        HKLd = np.array(G2lat.GenHLaue(dmin,SGData,A))
+                        HKLd = G2mth.sortArray(HKLd,3,reverse=True)
                         for h,k,l,d in HKLd:
                             ext,mul,uniq,phi = G2spc.GenHKLf([h,k,l],SGData)

trunk/GSASIIstrMath.py

@@ -1895 +1895 @@
                     names.update({hfx+'Absorption':[dFdAb,'int'],})
             else:   #'T'OF
-                dpdA,dpdZ,dpdDC,dpdDA,dpdDB = GetReflPosDerv(refl,0.0,A,hfx,calcControls,parmDict)
+                dpdA,dpdZ,dpdDC,dpdDA,dpdDB = GetReflPosDerv(refl,im,0.0,A,hfx,calcControls,parmDict)
                 names = {hfx+'Scale':[dIdsh,'int'],phfx+'Scale':[dIdsp,'int'],
                     hfx+'difC':[dpdDC,'pos'],hfx+'difA':[dpdDA,'pos'],hfx+'difB':[dpdDB,'pos'],