Changeset 935 for trunk/import_cif.tcl


Ignore:
Timestamp:
Mar 3, 2010 9:27:00 AM (11 years ago)
Author:
toby
Message:

EXPGUI:

  • Implement routine to locate window where user wants (see LocateWindow?)
  • allow pgplot in gsas/pgl or gsas/pgplot

Import_cif: make sure that missing or defaulted values for Uiso & occ are set to valid values.

gsascmds:

  • implement LocateWindow?
  • update to use saved pgplot location: $expgui(pgplotdir)
File:
1 edited

Legend:

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  • trunk/import_cif.tcl

    r930 r935  
    173173            z [ValueFromCIF block${i} _atom_site_fract_z] \
    174174            lbl $lbllist uiso $uisolist occ $occlist type $typelist {
    175         if {$uiso == ""} {set uiso 0.025}
     175        # deal with defaults
     176        if {$occ == "" || $occ == "."} {set occ 1.0}
     177        if {$uiso == "" || $uiso == "."} {set uiso 0.025}
    176178        # should not be any quotes, but remove them, if there are
    177179        foreach var {lbl type} {
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