Changeset 2040 for trunk/imports/G2sfact_CIF.py

Timestamp:

Nov 6, 2015 11:44:24 AM (8 years ago)

Author:

vondreele

Message:

make sure XSC is reflection import default Type
convert Biso to Uiso for J2K atoms import
get plots to show hklm for SS 2D structure factor plots on status bar & tool tip
make wave coeff 5 places not 4
now get correct Fcalc2 for SS reflections; proper derivatives for x & Uij
(not for x waves or U waves)
correct error in single crystal Fcalc2 & it's derivatives

File:

• trunk/imports/G2sfact_CIF.py (modified) (2 diffs)

trunk/imports/G2sfact_CIF.py

@@ -320 +320 @@
             self.RefDict['RefList'] = np.array(self.RefDict['RefList'])
             self.errors = 'Error during reading of dataset parameters'
+            Type = 'SXC'
             if blk.get('_diffrn_radiation_probe'):
                 if blk['_diffrn_radiation_probe'] == 'neutron':
@@ -326 +327 @@
                 if blk['_diffrn_radiation.probe'] == 'neutron':
                     Type = 'SNC'
-            else:
-                Type = 'SXC'
             self.RefDict['Type'] = Type
             self.RefDict['Super'] = im