/usr/share/xcrysden/Tcl/atomLabels.tcl is in xcrysden-data 1.5.53-1.
This file is owned by root:root, with mode 0o644.
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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/atomLabels.tcl
# ------ #
# Copyright (c) 1996-2003 by Anton Kokalj #
#############################################################################
proc ModAtomLabels {} {
global atomLabel
#
# make three-pages:
# page.1: for globalAtomLabel properties
# page.2: for each-atom-label properties
# page.3: advanced setting
set t .atom_label
if { [winfo exists $t] } {
return
}
xcToplevel $t "Edit Atom labels & fonts" "Atom Labels"
set nb [NoteBook $t.nb]
pack $nb -expand 1 -fill both
# --------------------------------------------------
# page #.1: globalAtomLabel
# --------------------------------------------------
$nb insert 0 globalAtomLabel -text "Global Atom-Labels Font"
set page [$nb getframe globalAtomLabel]
ModAtomLabels:_font_and_color $t $page globalFont
# --------------------------------------------------
# page #.2: atomLabel
# --------------------------------------------------
$nb insert 1 atomLabel -text "Edit Custom Atom-Labels and Fonts"
set page [$nb getframe atomLabel]
set atom_frame [frame $page.atom -relief groove -bd 2]
pack $atom_frame -side top -expand 1 -fill both -padx 3 -pady 3 -ipadx 3 -ipady 3
foreach i {1 2} text { "Atom ID:" "ID's Atom Label:" } var {
atomLabel(atomFont.id) atomLabel(atomFont.label)
} ew { 5 25 } {
set l [label $atom_frame.l$i -text $text]
set e [entry $atom_frame.e$i -textvariable $var -width $ew]
pack $l $e -side left -padx 1 -pady 3
if { $i == 1 } {
bind $e <Enter> [list ModAtomLabels:atomFontUpdate $atomLabel(atomFont.id)]
set atomLabel(atomFont.entry) $e
set select [button $atom_frame.selectbutton \
-text "Select Atom" -command ModAtomLabels:selectAtom]
pack $select -side left -padx 0 -pady 5
}
}
ModAtomLabels:_font_and_color $t $page atomFont
# --------------------------------------------------
# page #.3: advanced
# --------------------------------------------------
$nb insert 2 advanced -text "Advanced"
set page [$nb getframe advanced]
set check_frame [frame $page.check -relief groove -bd 2]
set entry_frame(1) [frame $page.entry1 -relief groove -bd 2]
set entry_frame(2) [frame $page.entry2 -relief groove -bd 2]
set button_frame [frame $page.button]
pack $check_frame $entry_frame(1) $entry_frame(2) -side top \
-fill x -padx 3 -pady 3 -ipady 2
pack $button_frame -side bottom -fill x -padx 3 -pady 3 -ipady 10
# check-buttons ...
foreach i {cb1 cb2} text {
"do not display all default atomic symbols"
"do not display all custom atomic labels"
} onvalue {0 0} offvalue {1 1} var {
atomLabel(globalFont.do_display)
atomLabel(atomFont.do_display)
} command {
{ModAtomLabels:advancedCheckButton default}
{ModAtomLabels:advancedCheckButton custom}
} {
set cb($i) [checkbutton $check_frame.$i -text $text \
-onvalue $onvalue -offvalue $offvalue \
-variable $var -command $command -anchor w]
pack $cb($i) -side top -padx 3 -pady 3 -fill x
}
set b [button $check_frame.b1 -text "Clear all custom atomic labels" \
-command ModAtomLabels:advancedClearCustomLabels]
pack $b -side left -padx 3 -pady 3
# entries ..
foreach i {1 2} text {
"do not display label for atoms (enter atom ID's):"
"do not display labels for the following type of\natoms (enter atomic symbols):"
} textvariable {
atomLabel(atomIDs.do_not_display)
atomLabel(atomTypes.do_not_display)
} b1text {
"Select Atom" "Select Atomic Type"
} b2text {
"De-select Atom" "De-select Atomic Type"
} b1com {
{ModAtomLabels:advancedSelectAtom select}
{ModAtomLabels:advancedSelectType select}
} b2com {
{ModAtomLabels:advancedSelectAtom deselect}
{ModAtomLabels:advancedSelectType deselect}
} {
set f1($i) [frame $entry_frame($i).1$i]
set f2($i) [frame $entry_frame($i).2$i]
set la($i) [label $f1($i).l$i -text $text -anchor w]
set en($i) [entry $f1($i).e$i -textvariable $textvariable -width 40]
set b1($i) [button $f2($i).b1$i -text $b1text -width 14 -command $b1com]
set b2($i) [button $f2($i).b2$i -text $b2text -width 21 -command $b2com]
pack $f1($i) $f2($i) -side top -expand 1 -fill both -padx 2 -pady 2
pack $la($i) -side left -padx 1
pack $en($i) -side top -padx 1 -fill x -expand 1
pack $b1($i) $b2($i) -side left -padx 1
}
# buttons ...
set cancel [button $button_frame.can -text "Cancel" \
-command [list CancelProc $t]]
set close [button $button_frame.close -text "Close" \
-command [list ModAtomLabels:advancedCloseUpdate $t close]]
set update [button $button_frame.update -text "Update" \
-command [list ModAtomLabels:advancedCloseUpdate $t update]]
pack $cancel $close $update -side left -expand 1 -padx 7 -pady 7 -ipadx 2 -ipady 2
# --------------------------------------------------
# raise the globalAtomLabel page
# --------------------------------------------------
$nb raise globalAtomLabel
return $t
}
proc ModAtomLabels:_font_and_color {t page whichFont} {
global atomLabel
if { $whichFont != "atomFont" && $whichFont != "globalFont" } {
ErrorDialog "wrong whichFont $whichFont for ModAtomLabels:_font_and_color"
return
}
set font_frame [frame $page.font -relief groove -bd 2]
set color_frame [frame $page.color -relief groove -bd 2]
set button_frame [frame $page.button]
pack $font_frame $color_frame $button_frame -side top -expand 1 \
-fill both -padx 3 -pady 3 -ipady 2
# font ...
FillEntries $font_frame {"Font:"} atomLabel($whichFont) 5 60
set b [button $font_frame.browse -textvariable atomLabel(fontBrowser) \
-width 19 \
-command [list ModAtomLabels:fontBrowser $whichFont]]
# TEMPORARY
global tcl_platform
if { $tcl_platform(platform) == "windows" } {
# disable font-browser, as it does not work under windows
$b config -state disabled
}
#/
foreach i {s c} value {
"Simple Font Browser" "Font Browser"
} text {
"use basic fonts only" "use all available fonts"
} {
set rb($i) [radiobutton $font_frame.rb$i \
-text $text \
-value $value \
-variable atomLabel(fontBrowser)]
}
pack $b $rb(s) $rb(c) -side left -padx 5 -pady 5
# font-colors ...
#proc xcModifyColor {parent labeltext init_color \
# frame_relief frame_side scale_side width height \
# scale_length scale_width slider_length {cID {}}}
set f1 [frame $color_frame.1]
set f2 [frame $color_frame.2]
pack $f1 $f2 -side left -expand 1 -padx 5 -pady 5
if { ! [info exists atomLabel($whichFont.brightID)] } {
set atomLabel($whichFont.brightID) [xcModifyColorID]
set atomLabel($whichFont.darkID) [xcModifyColorID]
}
set brightColor [rgb_f2h $atomLabel($whichFont.brightColor)]
set darkColor [rgb_f2h $atomLabel($whichFont.darkColor)]
xcModifyColor $f1 "Set Bright Font Color:" \
$brightColor groove left left 100 100 70 5 20 \
$atomLabel($whichFont.brightID)
xcModifyColor $f2 "Set Dark Font Color:" \
$darkColor groove left left 100 100 70 5 20 \
$atomLabel($whichFont.darkID)
#if { $whichFont == "atomFont" } {
# if { [trace vinfo atomLabel(atomFont.brightColor)] != "" } {
# trace variable atomLabel(atomFont.brightColor) w ModAtomLabels:trace
# }
# if { [trace vinfo atomLabel(atomFont.darkColor)] != "" } {
# trace variable atomLabel(atomFont.darkColor) w ModAtomLabels:trace
# }
#}
# buttons ...
set cancel [button $button_frame.can -text "Cancel" \
-command [list CancelProc $t]]
set close [button $button_frame.close -text "Close" \
-command [list ModAtomLabels:CloseUpdate $t $whichFont close]]
set update [button $button_frame.update -text "Update" \
-command [list ModAtomLabels:CloseUpdate $t $whichFont update]]
pack $cancel $close $update -side left -expand 1 -padx 7 -pady 7 -ipadx 2 -ipady 2
}
proc ModAtomLabels:selectAtom {} {
global select atomLabel
if { ! [info exists atomLabel(selecAtomWindow)] } {
set atomLabel(selecAtomWindow) .atom_label_selectiton
}
if { [winfo exists $atomLabel(selecAtomWindow)] } {
return
}
set select(done) 0
PreSel $atomLabel(selecAtomWindow) .mesa "Select an Atom" \
"For selecting an atom click on particular atom" AtomSel 1
tkwait window $atomLabel(selecAtomWindow)
if { !$select(done) } {
return
}
set atomLabel(atomFont.id) $select(Sqn1)
set atomLabel(atomFont.label) $select(Sym1)
ModAtomLabels:atomFontUpdate $select(Sqn1)
}
proc ModAtomLabels:atomFontUpdate {id} {
global atomLabel mody
if { ! [string is integer $id] || $id == "" } {
return
}
# query the label of atom $id
set label [xc_getvalue $mody(GET_ATOMLABEL_LABEL) $id]
if { $label != "" } {
set atomLabel(atomFont.label) $label
}
# query the font-colors atom $id
set atomLabel(atomFont.brightColor) [xc_getvalue $mody(GET_ATOMLABEL_BRIGHTCOLOR) $id]
set atomLabel(atomFont.darkColor) [xc_getvalue $mody(GET_ATOMLABEL_DARKCOLOR) $id]
xcModifyColorSet $atomLabel(atomFont.brightID) float rgb $atomLabel(atomFont.brightColor)
xcModifyColorSet $atomLabel(atomFont.darkID) float rgb $atomLabel(atomFont.darkColor)
}
proc ModAtomLabels:fontBrowser {whichFont} {
global atomLabel
set t .atomlabelfontbrowser
if { [winfo exists $t] } {
return
}
if { ! [info exists atomLabel(lastfont) ] } {
set atomLabel(lastfont) ""
}
set allFonts ""
if { $atomLabel(fontBrowser) == "Font Browser" } {
set allFonts 1
}
set font [fontToplevelWidget .atomlabelfontbrowser "Sample Text" $atomLabel(lastfont) $allFonts]
if { $font != "" } {
set atomLabel(lastfont) $font
set atomLabel($whichFont) [xcTkFontName2XLFD $font]
}
}
proc ModAtomLabels:CloseUpdate {t type action} {
global atomLabel mody_col
if { $type != "atomFont" && $type != "globalFont" } {
ErrorDialog "wrong type $type for ModAtomLabels:CloseUpdate"
return
}
set font $atomLabel($type)
set bright_color [xcModifyColorGet $atomLabel($type.brightID) float RGB]
set dark_color [xcModifyColorGet $atomLabel($type.darkID) float RGB]
if { $type == "globalFont" } {
set atomLabel(globalFont.brightColor) $bright_color
set atomLabel(globalFont.darkColor) $dark_color
.mesa xc_setfont $font $bright_color $dark_color
} elseif { $type == "atomFont" } {
# here
set id $atomLabel($type.id)
set atomLabel($id.$type.label) $atomLabel($type.label)
set atomLabel($id.$type.font) $font
set atomLabel($id.$type.brightColor) $bright_color
set atomLabel($id.$type.darkColor) $dark_color
.mesa xc_setatomlabel $id $atomLabel($type.label) $font $bright_color $dark_color
}
if { $action == "close" } {
CancelProc $t
}
}
# ------------------------------------------------------------------------
# ModAtomLabels:advanced* procs
# ------------------------------------------------------------------------
proc ModAtomLabels:advancedCheckButton {mode} {
global atomLabel mody
if { $mode == "default" } {
#
# do not display all global atom labels
#
if { $atomLabel(globalFont.do_display) } {
xc_newvalue .mesa $mody(SET_GLOBALATOMLABEL_DO_DISPLAY) 1
} else {
xc_newvalue .mesa $mody(SET_GLOBALATOMLABEL_DO_DISPLAY) 0
}
} else {
#
# do not display all custom atom labels
#
set customLabelIDs [xc_getvalue $mody(GET_ATOMLABEL_ALL_ID)]
if { $atomLabel(atomFont.do_display) } {
set display 1
} else {
set display 0
}
foreach id $customLabelIDs {
# here checking for do_display
xc_newvalue .mesa $mody(SET_ATOMLABEL_DO_DISPLAY) $id $display
}
}
}
proc ModAtomLabels:advancedSelectAtom {action} {
global atomLabel select
set select(done) 0
set selw [WidgetName]
if { $action == "select" } {
PreSel [WidgetName] .mesa "Select an Atom" \
"For selecting an atom click on particular atom" AtomSel 1
} else {
# action == deselect
PreSel [WidgetName] .mesa "(De-)Select an Atom" \
"For (de-)selecting an atom click on particular atom" AtomSel 1
}
tkwait window $selw
if { ! $select(done) } {
return
}
if { $action == "select" } {
lappend atomLabel(atomIDs.do_not_display) $select(Sqn1)
} else {
# action == deselect
set ind [lsearch $atomLabel(atomIDs.do_not_display) $select(Sqn1)]
if { $ind > -1 } {
set atomLabel(atomIDs.do_not_display) \
[lreplace $atomLabel(atomIDs.do_not_display) $ind $ind]
}
}
}
proc ModAtomLabels:advancedSelectType {action} {
global atomLabel ptable
ptable . -command ptableSelectElement
if { $ptable(result) == "" } {
return
}
if { $action == "select" } {
lappend atomLabel(atomTypes.do_not_display) $ptable(result)
} else {
# action == deselect
set ind [lsearch $atomLabel(atomTypes.do_not_display) $ptable(result)]
if { $ind > -1 } {
set atomLabel(atomTypes.do_not_display) \
[lreplace $atomLabel(atomTypes.do_not_display) $ind $ind]
}
}
}
proc ModAtomLabels:advancedCloseUpdate {t action} {
global atomLabel mody
# build an do_not_display ID-list, we have:
#
# atomLabel(atomIDs.do_not_display)
# atomLabel(atomTypes.do_not_display)
if { ! [info exists atomLabel(atomIDs.do_not_display)] } {
set atomLabel(atomIDs.do_not_display) ""
}
if { ! [info exists atomLabel(atomTypes.do_not_display)] } {
set atomLabel(atomTypes.do_not_display) ""
}
# IDs-part from atomIDs ...
set IDs $atomLabel(atomIDs.do_not_display)
# IDs-part from atomTypes ...
set natList ""
foreach type $atomLabel(atomTypes.do_not_display) {
set _nat [Aname2Nat $type]
if { ! [string is integer $_nat] } {
ErrorDialog "$type is not atomic symbol"
} else {
lappend natList $_nat
}
}
if { $natList != "" } {
set natoms [xc_getvalue $mody(GET_NATOMS)]
for {set i 1} {$i <= $natoms} {incr i} {
set ind [lsearch $natList [xc_getvalue $mody(GET_NAT) $i]]
if { $ind > -1 } {
lappend IDs $i
}
}
}
if { ! [info exists atomLabel(atomIDs.do_no_display.previous)] } {
set atomLabel(atomIDs.do_no_display.previous) ""
}
# make visible all the labels that were disabled in the last call
# to ModAtomLabels:advancedCloseUpdate
foreach id $atomLabel(atomIDs.do_no_display.previous) {
xc_newvalue .mesa $mody(SET_DO_NOT_DISPLAY_ATOMLABEL) $id 0
}
# disable all curently specified labels
foreach id $IDs {
xc_newvalue .mesa $mody(SET_DO_NOT_DISPLAY_ATOMLABEL) $id 1
}
# current IDs list become previous-list
set atomLabel(atomIDs.do_no_display.previous) $IDs
if { $action == "close" } {
CancelProc $t
}
}
proc ModAtomLabels:advancedClearCustomLabels {} {
set button [tk_messageBox -message "All custom atomic labels are about to be cleared. All your custom atomic-label editings will be lost.\n\nDo you really want to do it?" \
-type yesno -icon question]
if { $button == "yes" } {
.mesa xc_clearatomlabel all
}
}
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