Ignore:
Timestamp:
Aug 19, 2012 8:40:46 AM (9 years ago)
Author:
toby
Message:

Split restraints & constraints; add compositional (chemical) constraint

File:
1 edited

Legend:

Unmodified
Added
Removed
  • branches/sandbox/export_drawxtl.tcl

    r1209 r1215  
    55set label "export to DRAWXTL (.str) file"
    66set action export_drawxtl
    7 set DXTLcolorlist "White Red Green Blue Yellow Cyan Magenta Black Orange Brown Grey Silver White"
     7set ::DXTLcolorlist "White Red Green Blue Yellow Cyan Magenta Black Orange Brown Grey Silver White"
    88proc export_drawxtl {} {
    99    global expmap expgui
     
    559559
    560560proc AddContour {} {
     561    global DXTL
     562    # if {$DXTL(bonds) == 0} {
     563    #     # insert header
     564    #     set row 0
     565    #     grid [label $DXTL(Blst).a$row -text "from " -bg yellow\
     566    #            ] -column 1 -row $row  -sticky ew
     567    #     grid [label $DXTL(Blst).b$row -text " to " -bg yellow\
     568    #            ] -column 2 -row $row  -sticky ew
     569    #     grid [label $DXTL(Blst).c$row -text " width " -bg yellow\
     570    #            ] -column 3 -row $row  -sticky ew
     571    #     grid [label $DXTL(Blst).d$row -text " min " -bg yellow\
     572    #          ] -column 4 -row $row  -sticky ew
     573    #     grid [label $DXTL(Blst).e$row -text " max " -bg yellow\
     574    #            ] -column 5 -row $row  -sticky ew
     575    #     grid [label $DXTL(Blst).f$row -text " color " -bg yellow\
     576    #            ] -column 6 -row $row  -sticky ew
     577    # }
     578    # set row [incr DXTL(bonds)]
     579    # eval tk_optionMenu $DXTL(Blst).ta$row DXTL(ba_$row) $DXTL(typelist)
     580    # grid $DXTL(Blst).ta$row -column 1 -row $row
     581    # eval tk_optionMenu $DXTL(Blst).tb$row DXTL(bb_$row) $DXTL(typelist)
     582    # grid $DXTL(Blst).tb$row -column 2 -row $row
     583    # grid [entry $DXTL(Blst).w$row -textvariable DXTL(bw_$row) \
     584    #           -width 5] -column 3 -row $row
     585    # grid [entry $DXTL(Blst).mi$row -textvariable DXTL(bmin_$row) \
     586    #           -width 5] -column 4 -row $row
     587    # grid [entry $DXTL(Blst).mx$row -textvariable DXTL(bmax_$row) \
     588    #           -width 5] -column 5 -row $row
     589    # eval tk_optionMenu $DXTL(Blst).c$row DXTL(bc_$row) $::DXTLcolorlist
     590    # grid $DXTL(Blst).c$row -column 6 -row $row
     591    # set DXTL(bw_$row) 0.02
     592    # set DXTL(bmin_$row) 1.0
     593    # set DXTL(bmax_$row) 2.0
     594    # set DXTL(bc_$row) [lindex $::DXTLcolorlist $row]
     595    # # Resize the list
     596    # update
     597    # set sizes [grid bbox $DXTL(Blst)]
     598    # [winfo parent $DXTL(Blst)] config -scrollregion $sizes \
     599    #     -width [lindex $sizes 2]
    561600    error
    562601}
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