Changeset 3284

Timestamp:

Feb 14, 2018 10:04:55 AM (4 years ago)

Author:

vondreele

Message:

fix auto PDF if no formula given; assumes 'C 1.0'; put in missing 'Rmin' in make PDF.

Location:

trunk

Files:

• GSASIIdataGUI.py (modified) (2 diffs)
• GSASIIobj.py (modified) (1 diff)

trunk/GSASIIdataGUI.py

@@ -3967 +3967 @@
                             try:
                                 if len(formula) < 2:
-                                    formula = ['C',]
                                     raise ValueError
                                 elems = formula[::2]
@@ -3980 +3979 @@
                                 
                             except ValueError:
-                                ElData = G2elem.GetElInfo(formula[0],Parms)
+                                ElData = G2elem.GetElInfo('C',Parms)
                                 sumnum = 1.0
                                 ElData['FormulaNo'] = 1.0
-                                ElList[elem] = ElData
+                                ElList['C'] = ElData
                     ElLists.append(ElList)
                     print(sumnum)

trunk/GSASIIobj.py

@@ -2721 +2721 @@
         'Geometry':'Cylinder','Diam':1.0,'Pack':0.50,'Form Vol':10.0*numAtm,'Flat Bkg':FltBkg,
         'DetType':'Area detector','ObliqCoeff':0.2,'Ruland':0.025,'QScaleLim':Qlimits,
-        'Lorch':False,'BackRatio':0.0,'Rmax':100.,'noRing':False,'IofQmin':1.0,
+        'Lorch':False,'BackRatio':0.0,'Rmax':100.,'noRing':False,'IofQmin':1.0,'Rmin':1.0,
         'I(Q)':[],'S(Q)':[],'F(Q)':[],'G(R)':[]}
     G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='PDF Controls'),Data)