Changeset 5113

Timestamp:

Dec 16, 2021 2:18:39 PM (22 months ago)

Author:

vondreele

Message:

set limits in PDF calcs to use the selected lower limit but ignore the set upper limit for the PWDR data set used.

Location:

trunk

Files:

• GSASIIpwd.py (modified) (2 diffs)
• GSASIIpwdGUI.py (modified) (3 diffs)

trunk/GSASIIpwd.py

@@ -812 +812 @@
     on high-energy side 20 are used
     
-    :param pos: peak position; energy in keV
+    :param pos: peak position; energy in keV (not used)
     :param sig: Gaussian peak variance in keV^2
     
@@ -829 +829 @@
     extended by exponential coeff.
     
-    param pos: peak position; TOF in musec
+    param pos: peak position; TOF in musec (not used)
     param alp,bet: TOF peak exponential rise & decay parameters
     param sig: Gaussian peak variance in musec^2

trunk/GSASIIpwdGUI.py

@@ -3060 +3060 @@
     parmSizer = wx.FlexGridSizer(0,2,5,0)
     for key,lbl,nDig in parms:
+        if 'E' in Inst['Type'][0] and key in ['DisplaceX','DisplaceY','Absorption']:
+            continue
         labelLst.append(lbl.strip().strip(':').strip())
         dspLst.append(nDig)
@@ -7032 +7034 @@
         return
     powId = G2gd.GetGPXtreeItemId(G2frame,G2frame.root,data['Sample']['Name'])
-    limits = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,powId,'Limits'))[1]
+    limits = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,powId,'Limits'))
+    Xlimits = [limits[1][0],limits[0][1]]       #use lower limit but ignore upper limit 
     inst = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,powId,'Instrument Parameters'))[0]
-    auxPlot = G2pwd.CalcPDF(data,inst,limits,xydata)
+    auxPlot = G2pwd.CalcPDF(data,inst,Xlimits,xydata)
     data['I(Q)'] = xydata['IofQ']
     data['S(Q)'] = xydata['SofQ']
@@ -7053 +7056 @@
     powName = data['Sample']['Name']
     powId = G2gd.GetGPXtreeItemId(G2frame,G2frame.root,powName)
-    limits = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,powId,'Limits'))[1]
+    limits = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,powId,'Limits'))
+    Xlimits = [limits[1][0],limits[0][1]]       #use lower limit but ignore upper limit 
     inst = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,powId,'Instrument Parameters'))[0]
-    res = G2pwd.OptimizePDF(data,xydata,limits,inst,showFit,maxCycles)
+    res = G2pwd.OptimizePDF(data,xydata,Xlimits,inst,showFit,maxCycles)
     return res['success']