Changeset 2659 for trunk/GSASII.py

Timestamp:

Jan 24, 2017 1:58:38 PM (6 years ago)

Author:

vondreele

Message:

make lab data (2 x-ray wavelengths) instrument default 'Bragg-Brentano', all others 'Debye-Scherrer'
refactor PDF stuff to show PDF Controls & (new) PDF Peaks on G2 tree (removing I(Q)...).
Old gpx files with I(Q)... updated automatically to new scheme
Add new tree item for PDF Peaks - does nothing yet.
Fix FWHM calc for TOF so bins/FWHM on peak fitting make sense.

File:

• trunk/GSASII.py (modified) (3 diffs)

trunk/GSASII.py

@@ -1202 +1202 @@
                     v = (v[0],v[2],v[4])
                     codes = [0,0,0,0]
+                    rd.Sample['Type'] = 'Debye-Scherrer'
                 else:
                     names = ['Type','Lam1','Lam2','Zero','I(L2)/I(L1)','Polariz.','U','V','W','X','Y','SH/L','Azimuth']
                     codes = [0,0,0,0,0,0]
+                    rd.Sample['Type'] = 'Bragg-Brentano'
                 data.extend(v)
                 if 'INS  1PRCF  ' in Iparm:
@@ -1340 +1342 @@
                 if res is None: return None
                 rd.instfile = ''
+                if 'lab data' in choices[res]:
+                    rd.Sample['Type'] = 'Bragg-Brentano'
+                else:
+                    rd.Sample['Type'] = 'Debye-Scherrer'
                 if 'Generic' in choices[res]:
                     dlg = G2G.MultiFloatDialog(self,title='Generic TOF detector bank',
@@ -3600 +3606 @@
                             'Geometry':'Cylinder','Diam':1.0,'Pack':0.50,'Form Vol':10.0,
                             'DetType':'Image plate','ObliqCoeff':0.2,'Ruland':0.025,'QScaleLim':Qlimits[i],
-                            'Lorch':False,'BackRatio':0.0,'Rmax':100.,'noRing':False,'IofQmin':1.0}
+                            'Lorch':False,'BackRatio':0.0,'Rmax':100.,'noRing':False,'IofQmin':1.0,
+                            'I(Q)':[],'S(Q)':[],'F(Q)':[],'G(R)':[]}
                         self.PatternTree.SetItemPyData(self.PatternTree.AppendItem(Id,text='PDF Controls'),Data)
-                        self.PatternTree.SetItemPyData(self.PatternTree.AppendItem(Id,text='I(Q)'+PWDRname),[])        
-                        self.PatternTree.SetItemPyData(self.PatternTree.AppendItem(Id,text='S(Q)'+PWDRname),[])        
-                        self.PatternTree.SetItemPyData(self.PatternTree.AppendItem(Id,text='F(Q)'+PWDRname),[])        
-                        self.PatternTree.SetItemPyData(self.PatternTree.AppendItem(Id,text='G(R)'+PWDRname),[])        
+                        self.PatternTree.SetItemPyData(self.PatternTree.AppendItem(Id,text='PDF Peaks'),
+                            {'Limits':[1.,5.],'Background':[2,[0.,-0.2*np.pi],False],'Peaks':[]})        
                 for item in self.ExportPDF: item.Enable(True)
             finally: