Ignore:
Timestamp:
Jul 20, 2018 3:53:53 PM (3 years ago)
Author:
vondreele
Message:

fix export/import of magnetic cifs

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/exports/G2export_CIF.py

    r3487 r3491  
    12511251                spacegroup = spacegroup[0].upper() + spacegroup[1:].lower().rstrip('rh ')
    12521252                WriteCIFitem(self.fp, '_space_group_magn.name_BNS',spacegroup)
     1253                WriteCIFitem(self.fp, '_space_group.magn_point_group',phasedict['General']['SGData']['MagPtGp'])
     1254
    12531255                # generate symmetry operations including centering and center of symmetry
    12541256                SymOpList,offsetList,symOpList,G2oprList,G2opcodes = G2spc.AllOps(
     
    20652067            self.Write(' ')
    20662068            self.Write(70*'#')
    2067             WriteCIFitem(self.fp, 'data_'+phaseOnly)
     2069            WriteCIFitem(self.fp, 'data_'+phaseOnly.replace(' ','_'))
    20682070            #phaseblk = self.Phases[phaseOnly] # pointer to current phase info
    20692071            # report the phase info
Note: See TracChangeset for help on using the changeset viewer.