Changeset 977 for trunk


Ignore:
Timestamp:
Apr 14, 2010 10:15:50 AM (11 years ago)
Author:
toby
Message:

fix bug that adds brackets to spacegroup in phase replace

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/addcmds.tcl

    r936 r977  
    21752175            -column 0 -row 3 -columnspan 2 -sticky e
    21762176    grid [entry $top.t2 -width 12] -column 2 -row 3 -sticky w
    2177     grid [radiobutton $top.r1 -text "Reenter current atoms"\
     2177    grid [radiobutton $top.r1 -text "Keep atoms in phase"\
    21782178            -variable expgui(DeleteAllAtoms) -value 0] \
    21792179            -column 1 -row 4 -columnspan 8 -sticky w
     
    24202420
    24212421    pleasewait "updating phase"
    2422     replacephase3 $phase [list $spg] [list $cell] [list $atomlist]
     2422    set errmsg [replacephase3 $phase $spg $cell $atomlist]
    24232423
    24242424    set err 0
     
    24272427    }
    24282428    if {$errmsg != ""} {
    2429         append errmsg "\n" $out
    24302429        set err 1
    2431     } else {
    2432         set errmsg $out
    24332430    }
    24342431    donewait
     
    24512448    global expgui expmap
    24522449    # replace spacegroup and cell
     2450    if $::expgui(debug) {puts "phaseinfo $phase spacegroup set $spg"}
    24532451    phaseinfo $phase spacegroup set $spg
    24542452    RecordMacroEntry "phaseinfo $phase spacegroup set [list $spg]" 0
     
    24682466    set errmsg [runAddAtoms $phase $atomlist]
    24692467    RecordMacroEntry "runAddAtoms $phase [list $atomlist]" 0
     2468    return $errmsg
    24702469}
    24712470
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