Changeset 4089

Timestamp:

Aug 12, 2019 12:54:02 PM (4 years ago)

Author:

vondreele

Message:

implement an "absent" list for image calibrants - especially Silicon SRM640

Location:

trunk

Files:

• GSASIIimage.py (modified) (4 diffs)
• GSASIIplot.py (modified) (1 diff)
• ImageCalibrants.py (modified) (3 diffs)

trunk/GSASIIimage.py

@@ -586 +586 @@
         G2fil.G2Print('Warning: %s not in local copy of image calibrants file'%data['calibrant'])
         return []
-    Bravais,SGs,Cells = calFile.Calibrants[data['calibrant']][:3]
+    calibrant = calFile.Calibrants[data['calibrant']]
+    Bravais,SGs,Cells = calibrant[:3]
     HKL = []
     for bravais,sg,cell in zip(Bravais,SGs,Cells):
@@ -597 +598 @@
             hkl = G2lat.GenHBravais(dmin,bravais,A)
             HKL += list(hkl)
+    if len(calibrant) > 4:
+        absent = calibrant[5]
+    else:
+        absent = ()
     HKL = G2lat.sortHKLd(HKL,True,False)
     varyList = [item for item in data['varyList'] if data['varyList'][item]]
@@ -609 +614 @@
         tam = ma.mask_or(tam,MakeFrameMask(data,frame))
     for iH,H in enumerate(HKL):
+        if iH in absent:
+            continue
         if debug:   print (H) 
         dsp = H[3]
@@ -709 +716 @@
     dmin = data['calibdmin']
 #generate reflection set
-    Bravais,SGs,Cells = calFile.Calibrants[data['calibrant']][:3]
+    calibrant = calFile.Calibrants[data['calibrant']]
+    Bravais,SGs,Cells = calibrant[:3]
     HKL = []
     for bravais,sg,cell in zip(Bravais,SGs,Cells):

trunk/GSASIIplot.py

@@ -828 +828 @@
         else:
             # should not happen!
-            if GSASIIpath.GetConfigValue('debug'): GSASIIpath.IPyBreak()
-        self.parent.toolbar.push_current()
+            if GSASIIpath.GetConfigValue('debug'):
+                GSASIIpath.IPyBreak()
+        self.parent.toolbar.push_current()      #NB: self.parent.toolbar = self
         ax.axis((xmin,xmax,ymin,ymax))
         #print xmin,xmax,ymin,ymax

trunk/ImageCalibrants.py

@@ -8 +8 @@
 Each entry in ``ImageCalibrants`` consists of::
 
-  'key':([Bravais num,],[space group,],[(a,b,c,alpha,beta,gamma),],no. lines skipped,(dmin,pixLimit,cutOff))
+  'key':([Bravais num,],[space group,],[(a,b,c,alpha,beta,gamma),],no. lines skipped,(dmin,pixLimit,cutOff),(absent list))
   (The space group may be an empty string)
+  the absent list is optional; it gives indices of lines that have no intensity despite being allowed - see the Si example below;
+  counting begins at zero
 
 as an example::
@@ -25 +27 @@
 
   Calibrants={
-    'LaB6 skip 2 lines':([2,],['',],[(4.1569162,4.1569162,4.1569162,90,90,90),],2,(1.0,10,10)),
+    'LaB6 skip 2 lines':([2,],['',],[(4.1569162,4.1569162,4.1569162,90,90,90),],2,(1.0,10,10),()),
   }
 
@@ -54 +56 @@
 'LaB6  SRM660a skip 1':([2,],[''],[(4.1569162,4.1569162,4.1569162,90,90,90),],1,(1.0,10,10.)),
 'LaB6  SRM660': ([2,],[''],[(4.15695,4.15695,4.15695,90,90,90),],0,(1.0,10,10.)),
-'Si    SRM640c':([0,],['F d 3 m'],[(5.4311946,5.4311946,5.4311946,90,90,90),],0,(1.,10,10.)),
+'Si    SRM640c':([0,],['F d 3 m'],[(5.4311946,5.4311946,5.4311946,90,90,90),],0,(1.,10,10.),(3,10,13,20,23,26,33,35,40,43)),
 'CeO2  SRM674b':([0,],[''],[(5.411651,5.411651,5.411651,90,90,90),],0,(1.0,2,1.)),
 'Al2O3 SRM676a':([3,],['R -3 c'],[(4.759091,4.759091,12.991779,90,90,120),],0,(1.0,5,5.)),