Changeset 1453 for trunk/imports/G2sfact_CIF.py

Timestamp:

Aug 1, 2014 3:19:48 PM (9 years ago)

Author:

vondreele

Message:

get HKLF data type into RefDict?
create a SetDefaultDData routine in GSASII.py
fix copyflags for sc extinction coeff
fix neutron resonant ff for TOF
fix error in making Hessian v-cov matrix - now matches the Jabobian one
put names in the Es, Ep & Eg sc extinction coeff
fix errors in SCExtinction - still problem with derivatives

File:

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

trunk/imports/G2sfact_CIF.py

@@ -316 +316 @@
             if blk.get('_diffrn_radiation_probe'):
                 if blk['_diffrn_radiation_probe'] == 'neutron':
-                    type = 'SNC'
+                    Type = 'SNC'
             elif blk.get('_diffrn_radiation.probe'):
                 if blk['_diffrn_radiation.probe'] == 'neutron':
-                    type = 'SNC'
+                    Type = 'SNC'
             else:
                 type = 'SXC'
+            self.RefDict['Type'] = Type
             if blk.get('_diffrn_radiation_wavelength'):
                 wave = float(blk['_diffrn_radiation_wavelength'])
@@ -328 +329 @@
             else:
                 wave = 1.5418
-            self.UpdateParameters(Type=type,Wave=wave) # histogram type
+            self.UpdateParameters(Type=Type,Wave=wave) # histogram type
             return True
         except Exception as detail: