Changeset 1339

Timestamp:

May 9, 2014 2:56:31 PM (9 years ago)

Author:

vondreele

Message:

make single pattern plot the default
begin slit smearing implementation - doesn't work just yet
some tweaking of pattern plotting

Location:

trunk

Files:

• GSASII.py (modified) (3 diffs)
• GSASIIplot.py (modified) (5 diffs)
• GSASIIpwdGUI.py (modified) (2 diffs)
• GSASIIsasd.py (modified) (3 diffs)

trunk/GSASII.py

@@ -1903 +1903 @@
         self.Contour = False
         self.Legend = False
-        self.SinglePlot = False
+        self.SinglePlot = True
         self.SubBack = False
         self.seqReverse = False
@@ -3219 +3219 @@
                         Id = item
                     item, cookie = self.PatternTree.GetNextChild(self.root, cookie)                
+                if Id:
+                    self.PatternTree.SelectItem(Id)
                 if parentName:
                     parentId = G2gd.GetPatternTreeItemId(self, self.root, parentName)
@@ -3226 +3228 @@
                         itemId = G2gd.GetPatternTreeItemId(self, self.root, oldName)
                     self.PatternTree.SelectItem(itemId)
-                elif Id:
-                    self.PatternTree.SelectItem(Id)
         finally:
             dlg.Destroy()

trunk/GSASIIplot.py

@@ -444 +444 @@
         newPlot = False
         if event.key == 'w' and 'PWDR' in plottype:
-            G2frame.ErrorBars = not G2frame.ErrorBars
+            G2frame.Weight = not G2frame.Weight
             if not G2frame.Weight:
                 G2frame.SinglePlot = True
@@ -928 +928 @@
                 X += G2frame.Offset[1]*.005*N
             Xum = ma.getdata(X)
+            
             if ifpicked:
                 Z = xye[3]+offset*N
-                if 'PWDR' in plottype:  #powder background
+                if 'PWDR' in plottype:
                     W = xye[4]+offset*N
-                    D = xye[5]-Ymax*G2frame.delOffset
+                    D = xye[5]-Ymax*G2frame.delOffset  #powder background
                 elif 'SASD' in plottype:
                     if G2frame.sqPlot:
@@ -947 +948 @@
                         ZB = Z+B
                     Plot.set_yscale("log",nonposy='mask')
-                    Plot.set_ylim(bottom=np.min(np.trim_zeros(Y))/2.,top=np.max(Y)*2.)
+                    Plot.set_ylim(bottom=np.min(np.trim_zeros(YB))/2.,top=np.max(Y)*2.)
                 if G2frame.logPlot:
                     if 'PWDR' in plottype:
@@ -1008 +1009 @@
                     Page.canvas.SetToolTipString(tip)
                     data = G2frame.LimitsTable.GetData()
-            else:
+                    
+            else:   #not picked
                 if G2frame.logPlot:
                     if 'PWDR' in plottype:
@@ -1020 +1022 @@
                         Plot.loglog(X,Y,colors[N%6],picker=False,nonposy='mask')
                         Plot.set_ylim(bottom=np.min(np.trim_zeros(Y))/2.,top=np.max(Y)*2.)
-            if G2frame.logPlot:
+                        
+            if G2frame.logPlot and 'PWDR' in plottype:
                 Plot.set_ylim(bottom=np.min(np.trim_zeros(Y))/2.,top=np.max(Y)*2.)
     if PickId and not G2frame.Contour:

trunk/GSASIIpwdGUI.py

@@ -84 +84 @@
         'Thick':1.0,'Contrast':[0.0,0.0],       #contrast & anomalous contrast
         'Trans':1.0,                            #measured transmission
-        'SlitLen':0.0,                          #Slit length - units?
+        'SlitLen':0.0,                          #Slit length - in Q(A-1)
         }
 def SetupSampleLabels(histName,dataType):
@@ -108 +108 @@
         parms.append(['Thick','Sample thickness (mm)',[10,3]])
         parms.append(['Trans','Transmission (meas)',[10,3]])
-        parms.append(['SlitLen','Slit length',[10,3]])
+        parms.append(['SlitLen',u'Slit length (Q,\xc5'+Pwrm1+')',[10,3]])
     parms.append(['Omega','Goniometer omega:',[10,3]])
     parms.append(['Chi','Goniometer chi:',[10,3]])

trunk/GSASIIsasd.py

@@ -1001 +1001 @@
     return (G*P/Rg**P)*np.exp(scsp.gammaln(P/2))
     
-def SmearData(Ic,Q,slitLength):
-    return Ic   #for now
+def SmearData(Ic,Q,slitLen):
+    Qtemp = np.concatenate([Q,20*Q])
+    Ictemp = np.concatenate([Ic,np.zeros_like(Ic)])
+    print Ictemp
+    Icsm = np.zeros_like(Qtemp)
+    Np = Q.shape[0]
+    Qsm = 2*slitLen*(np.interp(np.arange(2*Np)/2.,np.arange(Np),Q)-Q[0])/(Q[-1]-Q[0])
+    Sp = np.searchsorted(Qsm,slitLen)
+    for i in range(Np):
+        Ism = np.interp(np.sqrt(Q[i]**2+Qsm**2),Qtemp,Ictemp)
+        print Ism
+        raise Exception
+        Icsm[i] = np.sum(Ism[:Sp])
+    Icsm /= slitLen
+    return Icsm   #for now
     
 ###############################################################################
@@ -1210 +1223 @@
                     parmDict[cid+'PkSig'],parmDict[cid+'PkGam'],Q)
         Ic += parmDict['Back']  #/parmDict['Scale']
+        slitLen = Sample['SlitLen']
+        if slitLen:
+            Ic = SmearData(Ic,Q,slitLen)
         return Ic
         
@@ -1359 +1375 @@
             Dist.append([])
     Ic[Ibeg:Ifin] += Back[0]
+    slitLen = Sample['SlitLen']
+    if slitLen:
+        Ic[Ibeg:Ifin] = SmearData(Ic,Q,slitLen)[Ibeg:Ifin]
     sasdData['Size Calc'] = [Rbins,Dist]