Changeset 1174

Timestamp:

Dec 18, 2013 2:55:50 PM (10 years ago)

Author:

vondreele

Message:

correct image integration for sample absorption - cylinders only for now

Location:

trunk

Files:

• GSASIIimage.py (modified) (4 diffs)
• GSASIIimgGUI.py (modified) (3 diffs)
• GSASIIpwd.py (modified) (1 diff)

trunk/GSASIIimage.py

@@ -774 +774 @@
         tam = ma.mask_or(tam.flatten(),tamt*tama)
     taz = ma.masked_outside(image.flatten(),int(Zlim[0]),Zlim[1])
+    tabs = np.ones_like(taz)
     tam = ma.mask_or(tam.flatten(),ma.getmask(taz))
     tax = ma.compressed(ma.array(tax.flatten(),mask=tam))
@@ -779 +780 @@
     taz = ma.compressed(ma.array(taz.flatten(),mask=tam))
     tad = ma.compressed(ma.array(tad.flatten(),mask=tam))
-    return tax,tay,taz,tad
+    tabs = ma.compressed(ma.array(tabs.flatten(),mask=tam))
+    return tax,tay,taz,tad,tabs
     
 def ImageIntegrate(image,data,masks,blkSize=128,dlg=None):
@@ -816 +818 @@
                 dlg.Update(Nup)
             Block = image[iBeg:iFin,jBeg:jFin]
-            tax,tay,taz,tad = Fill2ThetaAzimuthMap(masks,TA,tam,Block)    #and apply masks
+            tax,tay,taz,tad,tabs = Fill2ThetaAzimuthMap(masks,TA,tam,Block)    #and apply masks
             Nup += 1
             if dlg:
@@ -822 +824 @@
             tax = np.where(tax > LRazm[1],tax-360.,tax)                 #put azm inside limits if possible
             tax = np.where(tax < LRazm[0],tax+360.,tax)
+            if data['SampleAbs'][1]:
+                muR = data['SampleAbs'][0]*(1.+npsind(tax)**2/2.)/(npcosd(tay))
+                tabs = G2pwd.Absorb(data['SampleShape'],muR,tay)
             if any([tax.shape[0],tay.shape[0],taz.shape[0]]):
-                NST,H0 = h2d.histogram2d(len(tax),tax,tay,taz*tad,numAzms,numChans,LRazm,LUtth,Dazm,Dtth,NST,H0)
+                NST,H0 = h2d.histogram2d(len(tax),tax,tay,taz*tad*tabs,numAzms,numChans,LRazm,LUtth,Dazm,Dtth,NST,H0)
             Nup += 1
             if dlg:

trunk/GSASIIimgGUI.py

@@ -51 +51 @@
         data['DetDepth'] = 0.
         data['DetDepthRef'] = False
+    if 'SampleAbs' not in data:
+        data['SampleShape'] = 'Cylinder'
+        data['SampleAbs'] = [0.0,False]
 #end patch
 
@@ -513 +516 @@
             obliqVal.SetValue('%.3f'%(data['Oblique'][0]))
                            
+        def OnSamAbs(event):
+            if data['SampleAbs'][1]:
+                data['SampleAbs'][1] = False
+            else:
+                data['SampleAbs'][1] = True
+                
+        def OnSamAbsVal(event):
+            try:
+                value = float(samabsVal.GetValue())
+                if 0.00 <= value <= 2.00:
+                    data['SampleAbs'][0] = value
+                else:
+                    raise ValueError
+            except ValueError:
+                pass
+            samabsVal.SetValue('%.3f'%(data['SampleAbs'][0]))
+                           
         def OnShowLines(event):
             if data['showLines']:
@@ -614 +634 @@
         outAzim.Bind(wx.EVT_KILL_FOCUS,OnNumOutAzms)
         littleSizer.Add(outAzim,0,wx.ALIGN_CENTER_VERTICAL)
+        dataSizer.Add(littleSizer,0,)
+        littleSizer = wx.BoxSizer(wx.HORIZONTAL)
+        samabs = wx.CheckBox(parent=G2frame.dataDisplay,label='Apply sample absorption?')
+        dataSizer.Add(samabs,0,wx.ALIGN_CENTER_VERTICAL)
+        samabs.Bind(wx.EVT_CHECKBOX, OnSamAbs)
+        samabs.SetValue(data['SampleAbs'][1])
+        littleSizer.Add(wx.StaticText(G2frame.dataDisplay,label='mu/R (0.00-2.0) '),0,
+            wx.ALIGN_CENTER_VERTICAL)
+        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,wx.ALIGN_CENTER_VERTICAL)
         dataSizer.Add(littleSizer,0,)
         littleSizer = wx.BoxSizer(wx.HORIZONTAL)

trunk/GSASIIpwd.py

@@ -98 +98 @@
     :param float Psi: flat plate tilt axis - future
     '''
+    
+    def muRunder3(Sth2):
+        T0 = 16.0/(3.*np.pi)
+        T1 = (25.99978-0.01911*Sth2**0.25)*np.exp(-0.024551*Sth2)+ \
+            0.109561*np.sqrt(Sth2)-26.04556
+        T2 = -0.02489-0.39499*Sth2+1.219077*Sth2**1.5- \
+            1.31268*Sth2**2+0.871081*Sth2**2.5-0.2327*Sth2**3
+        T3 = 0.003045+0.018167*Sth2-0.03305*Sth2**2
+        Trns = -T0*MuR-T1*MuR**2-T2*MuR**3-T3*MuR**4
+        return np.exp(Trns)
+    
+    def muRover3(Sth2):
+        T1 = 1.433902+11.07504*Sth2-8.77629*Sth2*Sth2+ \
+            10.02088*Sth2**3-3.36778*Sth2**4
+        T2 = (0.013869-0.01249*Sth2)*np.exp(3.27094*Sth2)+ \
+            (0.337894+13.77317*Sth2)/(1.0+11.53544*Sth2)**1.555039
+        T3 = 1.933433/(1.0+23.12967*Sth2)**1.686715- \
+            0.13576*np.sqrt(Sth2)+1.163198
+        T4 = 0.044365-0.04259/(1.0+0.41051*Sth2)**148.4202
+        Trns = (T1-T4)/(1.0+T2*(MuR-3.0))**T3+T4
+        return Trns/100.
+        
     Sth2 = npsind(Tth/2.0)**2
     Cth2 = 1.-Sth2
     if 'Cylinder' in Geometry:      #Lobanov & Alte da Veiga for 2-theta = 0; beam fully illuminates sample
-        if MuR < 3.0:
-            T0 = 16.0/(3*np.pi)
-            T1 = (25.99978-0.01911*Sth2**0.25)*np.exp(-0.024551*Sth2)+ \
-                0.109561*np.sqrt(Sth2)-26.04556
-            T2 = -0.02489-0.39499*Sth2+1.219077*Sth2**1.5- \
-                1.31268*Sth2**2+0.871081*Sth2**2.5-0.2327*Sth2**3
-            T3 = 0.003045+0.018167*Sth2-0.03305*Sth2**2
-            Trns = -T0*MuR-T1*MuR**2-T2*MuR**3-T3*MuR**4
-            return np.exp(Trns)
-        else:
-            T1 = 1.433902+11.07504*Sth2-8.77629*Sth2*Sth2+ \
-                10.02088*Sth2**3-3.36778*Sth2**4
-            T2 = (0.013869-0.01249*Sth2)*np.exp(3.27094*Sth2)+ \
-                (0.337894+13.77317*Sth2)/(1.0+11.53544*Sth2)**1.555039
-            T3 = 1.933433/(1.0+23.12967*Sth2)**1.686715- \
-                0.13576*np.sqrt(Sth2)+1.163198
-            T4 = 0.044365-0.04259/(1.0+0.41051*Sth2)**148.4202
-            Trns = (T1-T4)/(1.0+T2*(MuR-3.0))**T3+T4
-            return Trns/100.
+        return np.where(MuR <3.0,muRunder3(Sth2),muRover3(Sth2))
     elif 'Bragg' in Geometry:
         return 1.0