/usr/share/xcrysden/Tcl/ptable.tcl is in xcrysden-data 1.5.60-1build3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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# Author: #
# ------ #
# Anton Kokalj Email: Tone.Kokalj@ijs.si #
# Department of Physical and Organic Chemistry Phone: x 386 1 477 3523 #
# Jozef Stefan Institute Fax: x 386 1 477 3811 #
# Jamova 39, SI-1000 Ljubljana #
# SLOVENIA #
# #
# Source: $XCRYSDEN_TOPDIR/Tcl/ptable.tcl
# ------ #
# Copyright (c) 1996-2003 by Anton Kokalj #
#############################################################################
proc ptable {tplw {args {}}} {
global ptable tcl_platform
if { $tcl_platform(platform) == "windows" } {
set bw 2
} else {
set bw 1
}
# tplw .... according to which toplevel the ptable's toplevel should be
# placed by xcToplevel command
# args:
# -command command .... which command to execute when an
# element button is pressed; should set
# the ptable(result) variable
set oldgrab [grab current]
# if ptable(ptable_script) var exists we are running ptable as utility
# so make no toplevel
if { ![info exists ptable(ptable_script)] } {
set t [xcToplevel [WidgetName] "XCrySDen: Periodic Table of Elements" \
"Periodic Table" [winfo toplevel $tplw] 10 10]
} else {
set t .
wm title . "XCrySDen: Periodic Table of Elements"
wm iconname . "Periodic Table"
}
catch { grab $t }
set i 0
set command DummyProc
set variable ptable(dummy_var)
foreach option $args {
incr i
# odd cycles are tags, even options
if { $i%2 } {
set tag $option
} else {
switch -- $tag {
"-command" {set command $option}
"-variable" {set variable $option}
default {
tk_dialog [WidgetName] Error \
"ERROR: Bad \"ptable\" configuration option $tag" \
error 0 OK
return 0
}
}
}
}
if { $i%2 } {
tk_dialog [WidgetName] \
"ERROR: You called \"ptable\" with an odd number of args !" \
error 0 OK
return 0
}
set row(0) {{} 1a 2a 3b 4b 5b 6b 7b 8_3 1b 2b 3a 4a 5a 6a 7a 8a}
set row(1) {I H x16 He}
set row(2) {II Li Be x10 B C N O F Ne}
set row(3) {III Na Mg x10 Al Si P S Cl Ar}
set row(4) {IV K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr}
set row(5) {V Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe}
set row(6) {VI Cs Ba La Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn}
set row(7) {VII Fr Ra Ac Rf Ha Sg Ns Hs Mt x9}
set row(9) {Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu}
set row(10) {Th Pa U Np Pu Am Cm Bk Cf Es Fm Md No Lr}
set col(0) "#ffffbb"
set col(1) "#ff6688"
set col(2) $col(1)
foreach i {3 4 5 6 7 8 9 10 11 12} {
set col($i) "#77bbff"
}
foreach i {13 14 15 16 17 18} {
set col($i) "#ffcccc"
}
foreach el {3,13 4,13 5,13 6,13 4,14 5,14 6,14 5,15 6,15 6,16} {
set col($el) $col(1)
}
. configure -bg "#ffffff"
set f [frame $t.f -bg "#ffffff"]
set f1 [frame $f.f1 -bg "#ffffff"]
set f2 [frame $f.f2 -bg "#ffffff"]
set font [font create]
font configure $font \
-family Times \
-size 20 \
-weight bold \
-underline 1
label $f.l -text "Periodic Table of Elements" -relief groove -bd 2 -font $font
pack $f.l -side top -expand 1 -padx 10 -ipadx 5 -ipady 2
focus $f.l
#set f [frame .f]
pack $f $f1 $f2 -ipadx 10 -ipady 10 -side top
# take care of row(0)
set ic 0
foreach item $row(0) {
set sticky {}
set span 1
if [string match *_* $item] {
set c [string last _ $item]
set span [string range $item [expr $c + 1] end]
set sticky ew
set item [string range $item 0 [expr $c - 1]]
puts stdout "$c $span $item"
}
if { $ic != 0 } {
puts stdout "$ic $span $item"
set b [button $f.0_$ic \
-text $item \
-relief ridge -bd 2 \
-width $bw \
-bg $col($ic) -disabledforeground "#000000" \
-state disabled]
grid $b
grid configure $b -column $ic -row 0 \
-columnspan $span -sticky $sticky -in $f1 -pady 5
if { $span > 1 } {
incr ic [expr $span - 1]
}
}
incr ic
}
for {set ir 1} {$ir <= 7} {incr ir} {
set ic 0
foreach item $row($ir) {
if { $ic == 0 } {
set b [button $f.${ir}_0 \
-command [list eval $command $t $item] \
-text $item \
-relief ridge -bd 2 \
-width $bw \
-bg $col($ic) -disabledforeground "#000000" \
-state disabled]
grid $b
grid configure $b -column 0 -row $ir -in $f1 -padx 5
incr ic
continue
}
if { [string index $item 0] == "x" } {
set n [string range $item 1 end]
incr ic $n
continue
}
set color $col($ic)
if [info exists col($ir,$ic)] {
set color $col($ir,$ic)
}
set b [button $f.${ir}_${ic} \
-command [list eval $command $t $item] \
-text $item \
-width $bw \
-bg $color]
grid $b
grid configure $b -column $ic -row $ir -in $f1
incr ic
}
}
set color "#99bbff"
button $f.9_0 -text "Lantanides" \
-bg $color -state disabled \
-relief ridge -bd 2 \
-bg $color \
-disabledforeground "#000000"
button $f.10_0 -text "Actinides" \
-bg $color -state disabled \
-relief ridge -bd 2 \
-bg $color \
-disabledforeground "#000000"
grid $f.9_0 $f.10_0
grid configure $f.9_0 -column 0 -row 9 -columnspan 3 -sticky we -in $f2
grid configure $f.10_0 -column 0 -row 10 -columnspan 3 -sticky we -in $f2
set color "#99ddff"
for {set ir 9} {$ir <= 10} {incr ir} {
set ic 3
foreach item $row($ir) {
set b [button $f.${ir}_$ic \
-command [list eval $command $t $item] \
-text $item \
-width $bw \
-bg $color]
grid $b
grid configure $b -column $ic -row $ir -in $f2
incr ic
}
}
DefaultButton $f.b -text Close -command [list ptableClose $t]
pack $f.b -side top -padx 10 -pady 10
tkwait window $t
if { $oldgrab != {} } {
catch { grab $oldgrab }
}
upvar #0 $variable var
set var $ptable(result)
return $ptable(result)
}
proc ptableClose t {
global ptable
set ptable(result) {}
CancelProc $t
}
proc ptableSelectElement {t el} {
global ptable
set ptable(result) $el
CancelProc $t
}
proc ptableSelectAtomicNumber {t el} {
global ptable
set ptable(result) [Aname2Nat $el]
CancelProc $t
}
proc scroll_ptableSelectNAT {t globarrayname arrel i} {
upvar #0 $globarrayname array
# globarrayname .... name of global array
# arrel .... name of array element
# i .... i-th element of array with element arrel
set array($arrel,$i) [ptable $t -command ptableSelectAtomicNumber]
}
#lappend auto_path "/home/tone/prog/XCrys/Mesa"
#ptable . -command ptableSelectElement
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