Changeset 1103
- Timestamp:
- Dec 22, 2010 2:33:59 PM (10 years ago)
- File:
-
- 1 edited
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branches/sandbox/addcmds.tcl
r1036 r1103 197 197 # validate the input 198 198 set err {} 199 set warn {} 199 200 set title [$np.t1 get] 200 201 if {[string trim $title] == ""} { … … 231 232 append spg " R" 232 233 if {$err == ""} { 233 # no need to warn on error 234 MyMessageBox -parent $np -title "Space Group Fix" \ 235 -message "Adding a final 'R' to the space group for rhombohedral space group set in rhombohedral cell, as required in GSAS" \ 236 -icon warning 234 append warn "Note that a rhombohedral setting was used, the space group symbol ($spg) as been flagged accordingly\n" 237 235 } 238 236 } … … 315 313 } 316 314 # now select the new phase 317 SelectOnePhase [lindex $expmap(phaselist) end] 315 set phase [lindex $expmap(phaselist) end] 316 SelectOnePhase $phase 317 SpaceGroupWarnings $warn $phase $spg 318 318 } 319 319 … … 2524 2524 set errmsg [runAddAtoms $phase $atomlist] 2525 2525 RecordMacroEntry "runAddAtoms $phase [list $atomlist]" 0 2526 SpaceGroupWarnings "" $phase $spg 2526 2527 return $errmsg 2528 } 2529 2530 proc SpaceGroupWarnings {warn phase spg} { 2531 # warning on possible origin 1 setting 2532 set shift [GetOrigin1Shift $phase] 2533 if {$shift != ""} { 2534 append warn "Note that this space group ($spg) has both Origin 1 and Origin 2 settings. Origin 2 must be used in GSAS. Please check atom multiplicities (or use the Results/composition command) to verify you have the correct origin setting. Note that the Xform Atoms/Xform Origin 1 to Origin 2 button can be used to correct this.\n" 2535 } 2536 if {$warn != ""} { 2537 MyMessageBox -parent . -title "Space Group Note" \ 2538 -message $warn -icon warning 2539 } 2527 2540 } 2528 2541
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