Ignore:
Timestamp:
Nov 21, 2020 2:15:49 PM (12 months ago)
Author:
toby
Message:

extensive Origin 1->2 updates; merge SetupGeneral? into a single routine in G2Elem; read sym ops from CIF; fix sites sym/mult after cood xform

File:
1 edited

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Removed
  • trunk/imports/G2phase_CIF.py

    r4635 r4659  
    250250                SGData = G2obj.P1SGData # P 1
    251251            self.Phase['General']['SGData'] = SGData
     252            # save symmetry operators, if specified (use to check for origin 1 in GSASIIdataGUI OnImportPhase)
     253            ops = blk.get("_symmetry_equiv_pos_as_xyz")   # try older name 1st
     254            if ops:
     255                self.SymOps['xyz'] = ops
     256            elif blk.get("_space_group_symop_operation_xyz"):
     257                self.SymOps['xyz'] = blk.get("_space_group_symop_operation_xyz")
     258            else:
     259                if 'xyz' in self.SymOps: del self.SymOps['xyz']
    252260            if Super:
    253261                E,SSGData = G2spc.SSpcGroup(SGData,SuperSg)
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