Changeset 777
- Timestamp:
- Dec 4, 2009 5:11:51 PM (13 years ago)
- File:
-
- 1 edited
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- Added
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trunk/atomcons.tcl
- Property rcs:date changed from 2002/01/22 22:55:35 to 2004/04/03 22:21:52
- Property rcs:lines changed from +203 -80 to +22 -4
- Property rcs:rev changed from 1.12 to 1.13
r543 r777 670 670 set atmlst [lsort -real -index 1 $atmlst] 671 671 } else { 672 error "Bad expgui(asorttype = $expgui(asorttype)" 672 # error "Bad expgui(asorttype) = $expgui(asorttype)" 673 # other -- ignore and sort on atom number 674 foreach atom $expmap(atomlist_$phase) { 675 lappend atmlst "$atom $atom $phase" 676 } 677 set atmlst [lsort -integer -index 1 $atmlst] 678 673 679 } 674 680 # make a list of atoms in the box … … 707 713 # special variables XYZU & Uxx should only occur with num == "new" 708 714 # then add new constraints 709 if {$expcons(var1) == ""} return 715 if {$expcons(var1) == ""} { 716 MyMessageBox -message \ 717 "No variables were selected to constrain" \ 718 -parent [winfo toplevel $expcons(atommaster)] \ 719 -type {Fix} -default fix -icon error 720 return 721 } 710 722 set varlist {{}} 711 723 if {$expcons(var1) == "XYZU+-F"} {set varlist "X Y Z UISO FRAC"} … … 767 779 } 768 780 } 769 if {$atomlist == ""} return 781 if {$atomlist == ""} { 782 MyMessageBox -message \ 783 "No atoms were selected to constrain" \ 784 -parent [winfo toplevel $expcons(atommaster)] \ 785 -type {Fix} -default fix -icon error 786 return 787 } 770 788 # maximum number of parameters in a constraint is 500 771 789 if {[llength $clist] > 500} {
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