Changeset 2788

Timestamp:

Apr 17, 2017 2:12:29 PM (7 years ago)

Author:

vondreele

Message:

make I/Ib floats in ImageCalibrants?.py
fix issue for SASD seq. refinement
fix some issues with SASD image integrations

Location:

trunk

Files:

• GSASII.py (modified) (1 diff)
• GSASIIimage.py (modified) (3 diffs)
• GSASIIimgGUI.py (modified) (4 diffs)
• GSASIIpwdGUI.py (modified) (2 diffs)
• ImageCalibrants.py (modified) (2 diffs)

trunk/GSASII.py

@@ -2688 +2688 @@
         else:
             if self.ExpandingAll:
-                #if GSASIIpath.GetConfigValue('debug'): print('Skipping Tree selection due to ExpandAll')
+                if GSASIIpath.GetConfigValue('debug'): print('Skipping Tree selection due to ExpandAll')
                 return
             pltNum = self.G2plotNB.nb.GetSelection()

trunk/GSASIIimage.py

@@ -885 +885 @@
     if '2-theta' in data.get('binType','2-theta'):
         lutth = LUtth                
-    elif 'Q' == data['binType']:
-        lutth = 4.*np.pi*npsind(LUtth/2.)/data['wavelength']
     elif 'log(q)' in data['binType']:
         lutth = np.log(4.*np.pi*npsind(LUtth/2.)/data['wavelength'])
+    elif 'q' == data['binType'].lower():
+        lutth = 4.*np.pi*npsind(LUtth/2.)/data['wavelength']
     dtth = (lutth[1]-lutth[0])/numChans
     muT = data.get('SampleAbs',[0.0,''])[0]
@@ -925 +925 @@
             if 'log(q)' in data.get('binType',''):
                 tay = np.log(4.*np.pi*npsind(tay/2.)/data['wavelength'])
-            elif 'Q' == data.get('binType',''):
+            elif 'q' == data.get('binType','').lower():
                 tay = 4.*np.pi*npsind(tay/2.)/data['wavelength']
             t0 = time.time()
@@ -941 +941 @@
     if 'log(q)' in data.get('binType',''):
         H2 = 2.*npasind(np.exp(H2)*data['wavelength']/(4.*np.pi))
-    elif 'Q' == data.get('binType',''):
+    elif 'q' == data.get('binType','').lower():
         H2 = 2.*npasind(H2*data['wavelength']/(4.*np.pi))
     if Dazm:        

trunk/GSASIIimgGUI.py

@@ -811 +811 @@
             if Ltth > Utth:
                 Ltth,Utth = Utth,Ltth
-            if 'Q' in data['binType']:
+            if 'q' in data['binType'].lower():
                 data['IOtth'] = [2.*asind(Ltth*wave/(4.*math.pi)),2.*asind(Utth*wave/(4.*math.pi))]
             else:
@@ -895 +895 @@
         dataSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Inner/Outer '+binType),0,WACV)            
         IOtth = data['IOtth'][:]
-        if 'Q' in data['binType']:
+        if 'q' in data['binType'].lower():
             wave = data['wavelength']
             IOtth = [4.*math.pi*sind(IOtth[0]/2.)/wave,4.*math.pi*sind(IOtth[1]/2.)/wave]
@@ -1097 +1097 @@
         comboSizer = wx.BoxSizer(wx.HORIZONTAL)
         comboSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Min ring I/Ib '),0,WACV)
-        cutOff = G2G.ValidatedTxtCtrl(G2frame.dataDisplay,data,'cutoff',nDig=(10,1),typeHint=float,min=0.1)
+        cutOff = G2G.ValidatedTxtCtrl(G2frame.dataDisplay,data,'cutoff',nDig=(10,2),min=0.1)
         comboSizer.Add(cutOff,0,WACV)
         calibSizer.Add(comboSizer,0)
@@ -1185 +1185 @@
     colorList = sorted([m for m in mpl.cm.datad.keys() if not m.endswith("_r")],key=lambda s: s.lower())
     calList = sorted([m for m in calFile.Calibrants.keys()],key=lambda s: s.lower())
-    typeList = ['PWDR - powder diffraction data','SASD - small angle scattering data',
-        'REFL - reflectometry data']
+    typeList = ['PWDR - powder diffraction data','SASD - small angle scattering data',]
     if not data.get('type'):                        #patch for old project files
         data['type'] = 'PWDR'
-    typeDict = {'PWDR':typeList[0],'SASD':typeList[1],'REFL':typeList[2]}
+    typeDict = {'PWDR':typeList[0],'SASD':typeList[1],}
     if G2frame.dataDisplay:
         G2frame.dataDisplay.Destroy()

trunk/GSASIIpwdGUI.py

@@ -4172 +4172 @@
                 SeqResult = {}
                 Id = G2frame.PatternTree.AppendItem(parent=G2frame.root,text='Sequential SASD results')
+            SeqResult = {'SeqPseudoVars':{},'SeqParFitEqList':[]}
             SeqResult['histNames'] = names
-            SeqResult = {'SeqPseudoVars':{},'SeqParFitEqList':[]}
         else:
             dlg.Destroy()
@@ -4204 +4204 @@
                 if i and CopyForward:
                     G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,sId, 'Models'),JModel)
-                IProfDict,IProfile = G2frame.PatternTree.GetItemPyData(Id)[:2]
+                IProfDict,IProfile = G2frame.PatternTree.GetItemPyData(sId)[:2]
                 IModel = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,sId, 'Models'))
                 ISample = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,sId, 'Sample Parameters'))

trunk/ImageCalibrants.py

@@ -13 +13 @@
 as an example::
 
-  'LaB6  SRM660a':([2,],['',][(4.1569162,4.1569162,4.1569162,90,90,90),],0,(1.0,10,10)),
+  'LaB6  SRM660a':([2,],['',][(4.1569162,4.1569162,4.1569162,90,90,90),],0,(1.0,10,10.)),
 
 or where "Bravais num" and "(a,b,...)" are repeated in the case of mixtures:: 
 
-  'LaB6 & CeO2':([2,0],['',''] [(4.1569,4.1569,4.1569,90,90,90),(5.4117,5.4117,5.4117,90,90,90)], 0, (1.0,2,1)),
+  'LaB6 & CeO2':([2,0],['',''] [(4.1569,4.1569,4.1569,90,90,90),(5.4117,5.4117,5.4117,90,90,90)], 0, (1.0,2,1.)),
 
 To expand this list with locally needed additions, do not modify this file,
@@ -35 +35 @@
 """
 Calibrants={
-'':([0,],['',],[(0,0,0,0,0,0),],0,(1.0,10,10)),
-'LaB6  SRM660b':([2,],[''],[(4.15689,4.15689,4.15689,90,90,90),],0,(1.0,10,10)),
-'LaB6  SRM660a':([2,],[''],[(4.1569162,4.1569162,4.1569162,90,90,90),],0,(1.0,10,10)),
-'LaB6  SRM660a skip 1':([2,],[''],[(4.1569162,4.1569162,4.1569162,90,90,90),],1,(1.0,10,10)),
-'LaB6  SRM660': ([2,],[''],[(4.15695,4.15695,4.15695,90,90,90),],0,(1.0,10,10)),
-'Si    SRM640c':([0,],['F d 3 m'],[(5.4311946,5.4311946,5.4311946,90,90,90),],0,(1.,10,10)),
-'CeO2  SRM674b':([0,],[''],[(5.411651,5.411651,5.411651,90,90,90),],0,(1.0,2,1)),
-'Al2O3 SRM676a':([3,],['R -3 c'],[(4.759091,4.759091,12.991779,90,90,120),],0,(1.0,5,5)),
-'Ni   @ 298K':([0,],[''],[(3.52475,3.52475,3.52475,90,90,90),],0,(1.0,10,10)),
-'NaCl @ 298K':([0,],[''],[(5.6402,5.6402,5.6402,90,90,90),],0,(1.0,10,10)),
-'NaCl even hkl only':([2,],[''],[(2.8201,2.8201,2.8201,90,90,90),],0,(1.0,10,10)),
-'Ag behenate':([6,],[''],[(1.0,1.0,58.380,90,90,90),],0,(7.0,5,1)),
-'Spun Si 3600 line/mm grating':([6,],[''],[(1.0,1.0,2777.78,90,90,90),],2,(200.,5,1)),
-'Spun Si 7200 line/mm grating':([6,],[''],[(1.0,1.0,1388.89,90,90,90),],1,(200.,5,1)),
-'Pt   @ 298K':([0,],[''],[(3.9231,3.9231,3.9231,90,90,90),],0,(1.0,5,1)),
-'LaB6 & CeO2':([2,0],['','',],[(4.1569162,4.1569162,4.1569162,90,90,90),(5.411651,5.411651,5.411651,90,90,90)],0,(1.0,2,1)),
+'':([0,],['',],[(0,0,0,0,0,0),],0,(1.0,10,10.)),
+'LaB6  SRM660b':([2,],[''],[(4.15689,4.15689,4.15689,90,90,90),],0,(1.0,10,10.)),
+'LaB6  SRM660a':([2,],[''],[(4.1569162,4.1569162,4.1569162,90,90,90),],0,(1.0,10,10.)),
+'LaB6  SRM660a skip 1':([2,],[''],[(4.1569162,4.1569162,4.1569162,90,90,90),],1,(1.0,10,10.)),
+'LaB6  SRM660': ([2,],[''],[(4.15695,4.15695,4.15695,90,90,90),],0,(1.0,10,10.)),
+'Si    SRM640c':([0,],['F d 3 m'],[(5.4311946,5.4311946,5.4311946,90,90,90),],0,(1.,10,10.)),
+'CeO2  SRM674b':([0,],[''],[(5.411651,5.411651,5.411651,90,90,90),],0,(1.0,2,1.)),
+'Al2O3 SRM676a':([3,],['R -3 c'],[(4.759091,4.759091,12.991779,90,90,120),],0,(1.0,5,5.)),
+'Ni   @ 298K':([0,],[''],[(3.52475,3.52475,3.52475,90,90,90),],0,(1.0,10,10.)),
+'NaCl @ 298K':([0,],[''],[(5.6402,5.6402,5.6402,90,90,90),],0,(1.0,10,10.)),
+'NaCl even hkl only':([2,],[''],[(2.8201,2.8201,2.8201,90,90,90),],0,(1.0,10,10.)),
+'Ag behenate':([6,],[''],[(1.0,1.0,58.380,90,90,90),],0,(7.0,5,1.)),
+'Spun Si 3600 line/mm grating':([6,],[''],[(1.0,1.0,2777.78,90,90,90),],2,(200.,5,1.)),
+'Spun Si 7200 line/mm grating':([6,],[''],[(1.0,1.0,1388.89,90,90,90),],1,(200.,5,1.)),
+'Pt   @ 298K':([0,],[''],[(3.9231,3.9231,3.9231,90,90,90),],0,(1.0,5,1.)),
+'LaB6 & CeO2':([2,0],['','',],[(4.1569162,4.1569162,4.1569162,90,90,90),(5.411651,5.411651,5.411651,90,90,90)],0,(1.0,2,1.)),
 }