Changeset 2125

Timestamp:

Jan 15, 2016 1:00:54 PM (7 years ago)

Author:

vondreele

Message:

a bit of simplification to G2sfact for HKLF5 data
Add sample shape (Cylinder & Fixed flat plate) to ImageGUI & integration

Location:

trunk

Files:

• GSASIIimage.py (modified) (1 diff)
• GSASIIimgGUI.py (modified) (4 diffs)
• imports/G2sfact.py (modified) (1 diff)

trunk/GSASIIimage.py

@@ -910 +910 @@
             tax = np.where(tax < LRazm[0],tax+360.,tax)
             if data['SampleAbs'][1]:
-                if 'PWDR' in data['type']:
-                    muR = muT*(1.+npsind(tax)**2/2.)/(npcosd(tay))
+                if 'Cylind' in data['SampleShape']:
+                    muR = muT*(1.+npsind(tax)**2/2.)/(npcosd(tay))      #adjust for additional thickness off sample normal
                     tabs = G2pwd.Absorb(data['SampleShape'],muR,tay)
-                elif 'SASD' in data['type']:    #assumes flat plate sample normal to beam
+                elif 'Fixed' in data['SampleShape']:    #assumes flat plate sample normal to beam
                     tabs = G2pwd.Absorb('Fixed',muT,tay)
             if 'log(q)' in data['binType']:

trunk/GSASIIimgGUI.py

@@ -610 +610 @@
                 pass
             obliqVal.SetValue('%.3f'%(data['Oblique'][0]))
+            
+        def OnSampleShape(event):
+            data['SampleShape'] = samShape.GetValue()
+            if 'Cylind' in data['SampleShape']:
+                data['SampleAbs'][0] = 0.0
+            elif 'Fixed' in data['SampleShape']:
+                data['SampleAbs'][0] = 1.0
+            wx.CallLater(100,UpdateImageControls,G2frame,data,masks)
                            
         def OnSamAbs(event):
@@ -621 +629 @@
                 value = float(samabsVal.GetValue())
                 minmax = [0.,2.]
-                if 'SASD' in data['type']:
+                if 'Fixed' in data['SampleShape']:
                     minmax = [.05,1.0]
                 if minmax[0] <= value <= minmax[1]:
@@ -742 +750 @@
         littleSizer.Add(outAzim,0,WACV)
         dataSizer.Add(littleSizer,0,)
+        samplechoice = ['Cylinder','Fixed flat plate',]
+        dataSizer.Add(wx.StaticText(G2frame.dataDisplay,label='Select sample shape'),0,WACV)
+        samShape = wx.ComboBox(G2frame.dataDisplay,value=data['SampleShape'],choices=samplechoice,
+            style=wx.CB_READONLY|wx.CB_DROPDOWN)
+        samShape.Bind(wx.EVT_COMBOBOX,OnSampleShape)
+        dataSizer.Add(samShape,0,WACV)
+        #SampleShape - cylinder or flat plate choice?
         littleSizer = wx.BoxSizer(wx.HORIZONTAL)
         samabs = wx.CheckBox(parent=G2frame.dataDisplay,label='Apply sample absorption?')
@@ -747 +762 @@
         samabs.Bind(wx.EVT_CHECKBOX, OnSamAbs)
         samabs.SetValue(data['SampleAbs'][1])
-        if 'PWDR' in data['type']:
-            littleSizer.Add(wx.StaticText(G2frame.dataDisplay,label='mu/R (0.00-2.0) '),0,WACV)
-        elif 'SASD' in data['type']:
-            littleSizer.Add(wx.StaticText(G2frame.dataDisplay,label='transmission '),0,WACV)
+        if 'Cylind' in data['SampleShape']: #cylinder mu*R; flat plate transmission
+            littleSizer.Add(wx.StaticText(G2frame.dataDisplay,label='mu*R (0.00-2.0) '),0,WACV)
+        elif 'Fixed' in data['SampleShape']:
+            littleSizer.Add(wx.StaticText(G2frame.dataDisplay,label='transmission '),0,WACV) #for flat plate
         samabsVal = wx.TextCtrl(parent=G2frame.dataDisplay,value='%.3f'%(data['SampleAbs'][0]),style=wx.TE_PROCESS_ENTER)            
         samabsVal.Bind(wx.EVT_TEXT_ENTER,OnSamAbsVal)
         samabsVal.Bind(wx.EVT_KILL_FOCUS,OnSamAbsVal)
         littleSizer.Add(samabsVal,0,WACV)
-        dataSizer.Add(littleSizer,0,)
+        dataSizer.Add(littleSizer,0,)        
         if 'PWDR' in data['type']:
             littleSizer = wx.BoxSizer(wx.HORIZONTAL)

trunk/imports/G2sfact.py

@@ -217 +217 @@
                 self.errors = '  Error reading line '+str(line+1)
                 if self.Super == 0:
-                    h,k,l,Fo,sigFo,Tw = S[:4],S[4:8],S[8:12],S[12:20],S[20:28],S[28:32]
+                    SH = S[:12]
+                    SF = S[12:32]
+                    h,k,l = SH.split()
+                    Fo,sigFo,Tw = SF.split()
+#                    h,k,l,Fo,sigFo,Tw = S[:4],S[4:8],S[8:12],S[12:20],S[20:28],S[28:32]
                     h,k,l = [int(h),int(k),int(l)]
                 elif self.Super == 1:
-                    h,k,l,m1,Fo,sigFo,Tw = S[:4],S[4:8],S[8:12],S[12:16],S[16:24],S[24:32],S[32:36]
+                    SH = S[:16]
+                    SF = S[16:36]
+                    h,k,l,m1 = SH.split()
+                    Fo,sigFo,Tw = SF.split()
+#                    h,k,l,m1,Fo,sigFo,Tw = S[:4],S[4:8],S[8:12],S[12:16],S[16:24],S[24:32],S[32:36]
                     h,k,l,m1 = [int(h),int(k),int(l),int(m1)]
                 Tw = Tw.strip()