/usr/share/xcrysden/Tcl/state.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/state.tcl
# ------ #
# Copyright (c) 1996-2014 by Anton Kokalj #
#############################################################################
##############################################################################
# DISABLE WIDGETS:
# ---------------
# disable all children of parent $w if possible
#proc xcDisableAll {wlist} {
#
# foreach w $wlist {
# if ![winfo exists $w] continue
# set children [winfo children $w]
# if { $children == "" } {
# #puts stdout $w
# catch [list $w configure -state disabled]
# } else {
# foreach child $children {
# xcDisableAll $child
# }
# }
# }
#}
proc xcDisableEntry {args} {
global xcColors
foreach entry $args {
$entry config -bd 0 -fg $xcColors(disabled_fg) -state disabled
}
}
proc xcEnableEntry {args} {
global xcColors
foreach entry $args {
$entry config -state normal -bd 2 -fg $xcColors(enabled_fg)
}
}
proc xcAll:wlist {wlist} {
global XCstate
if { [lindex $wlist 0] == "-disabledfg" } {
set XCstate(-disabledfg) 1
return [lrange $wlist 1 end]
} else {
set XCstate(-disabledfg) 0
return $wlist
}
}
proc xcDisableAll {args} {
set wlist [xcAll:wlist $args]
_xcDisableAll $wlist
}
proc _xcDisableAll {wlist} {
global xcColors XCstate
foreach w $wlist {
if { ![winfo exists $w] } continue
set children [winfo children $w]
if { $children != "" } {
foreach child $children {
_xcDisableAll $child
}
}
catch [list $w configure -state disabled]
if { $XCstate(-disabledfg) } {
catch [list $w configure -fg $xcColors(disabled_fg)]
}
}
}
proc xcDisableMenuOne {menu list} {
foreach {w e} $list {
lappend wlist $w
lappend elist $e
}
xcDisableOne $wlist
xcDisableMenuentryOne $menu $elist
}
# disable only widgets in $wlist
proc xcDisableOne {wlist} {
foreach wid $wlist {
catch [list $wid configure -state disabled]
}
}
proc xcDisableMenuentryOne {menu elist} {
foreach entry $elist {
catch {$menu entryconfigure $entry -state disabled}
}
}
##############################################################################
# ENABLE WIDGETS:
# --------------
# enable all children of parent $w if possible
proc xcEnableAll {args} {
_xcEnableAll [xcAll:wlist $args]
}
proc _xcEnableAll {wlist} {
global xcColors XCstate
foreach w $wlist {
if { ![winfo exists $w] } { continue }
set children [winfo children $w]
if { $children != "" } {
foreach child $children {
_xcEnableAll $child
}
}
catch [list $w configure -state normal]
if { $XCstate(-disabledfg) } {
catch [list $w configure -fg $xcColors(enabled_fg)]
}
}
}
proc xcEnableMenuOne {menu list} {
foreach {w e} $list {
lappend wlist $w
lappend elist $e
}
xcEnableOne $wlist
xcEnableMenuentryOne $menu $elist
}
# enable only widgets in $wlist
proc xcEnableOne {wlist} {
foreach wid $wlist {
catch [list $wid configure -state normal]
}
}
proc xcEnableMenuentryOne {menu elist} {
foreach entry $elist {
catch {$menu entryconfigure $entry -state normal}
}
}
proc xcConfigAll {wlist args} {
foreach w $wlist {
if { ![winfo exists $w] } continue
set children [winfo children $w]
if { $children != "" } {
foreach child $children {
xcConfigAll $child $args
catch {eval $child configure $args}
}
}
}
}
proc xcIsActive {word} {
global XCState
#--------
# states:
#--------
# c95 .... c95 case (newinput, openinput, ..
# newinput .... new input will be/has been made
# openinput .... existeing input is opened
# render .... structure is rendered
# properties .... crytal fort.9 is opened
# wien .... when dealing with WIEN2k
# multislab .... when dealing with WIEN2k multi-slab
# external .... when reading structre from some external file format
# external34 .... when reading structre from some external file format
# via FORT.34; !!! *** probably temporal *** !!!
if ![info exists XCState(state)] { return 0 }
return [string match *${word}* $XCState(state)]
}
############################################################################
proc xcUpdateState {{menu .menu} {menu2 .menu}} {
global XCState dispmode periodic radio sInfo system xsfAnim xcMisc
# disable all entries but exit&print-setup-entry in file-menu
foreach entry {
{New CRYSTAL Input}
{Open Structure ...}
{Open PWscf ...}
{Open CRYSTAL ...}
{Open WIEN2k ...}
Close
{Save XSF Structure}
{Save Current State and Structure}
{Save CRYSTAL Input}
{Save WIEN2k Struct File}
Print*
{XCrySDen Examples ...}
} {
$menu.vmfile${menu2} entryconfig $entry -state disabled
}
# disable all menus
xcDisableMenuOne $menu [list \
$menu.vmfile "File" \
$menu.vmdis "Display" \
$menu.vmmod "Modify" \
$menu.vmadvg "AdvGeom" \
$menu.vmpro "Properties" \
$menu.vmdat "Tools"]
xcDisableOne {.mea.f2.sty .mea.f2.shd}
# when we start the program XCState array is not set
if { ![array exists XCState] } {
# enable File menu
xcEnableMenuOne $menu [list $menu.vmfile File]
# disable all widgets in CONTROL-MAIN FRAME & MEASURE-MAIN FRAME
xcDisableAll .ctrl .mea
# in file menu enable new*/open* entries
foreach entry {
{New CRYSTAL Input}
{Open Structure ...}
{Open PWscf ...}
{Open CRYSTAL ...}
{Open WIEN2k ...}
{XCrySDen Examples ...}
} {
$menu.vmfile${menu2} entryconfig $entry -state normal
}
}
if { ![xcIsActive render] } {
# Enable just File menu
xcEnableMenuOne $menu [list $menu.vmfile File]
# disable all widgets in CONTROL-MAIN FRAME & MEASURE-MAIN FRAME
xcDisableAll .ctrl .mea
} else {
xcEnableMenuOne $menu [list \
$menu.vmfile "File" \
$menu.vmdis "Display" \
$menu.vmmod "Modify" \
$menu.vmdat "Tools"]
# for "render state" enable in File menu:
foreach entry { Close {Save XSF Structure}
{Save Current State and Structure} Print* } {
$menu.vmfile${menu2} entryconfig $entry -state normal
}
# if structure is CRYSTAL, disable all cell options
if { $periodic(dim) < 3 } {
foreach entry {
{Primitive Cell Mode}
{Conventional Cell Mode}
{Hexagonal/Rhombohedral ...}
{Wigner-Seitz Cells}
} {
$menu.vmdis${menu2} entryconfig $entry -state disabled
}
$menu.vmmod${menu2} entryconfig {Wigner-Seitz Cell Settings} \
-state disabled
} else {
foreach entry {
{Primitive Cell Mode}
{Conventional Cell Mode}
{Wigner-Seitz Cells}
} {
$menu.vmdis${menu2} entryconfig $entry -state normal
}
$menu.vmmod${menu2} entryconfig {Wigner-Seitz Cell Settings} \
-state normal
#if { $periodic(igroup) < 7 } {
# $menu.vmdis${menu2} entryconfig {Hexagonal/Rhombohedral ...} \
# -state disabled
#} else {
# $menu.vmdis${menu2} entryconfig {Hexagonal/Rhombohedral ...} \
# -state normal
#}
if { [array exists sInfo] } {
if { !$sInfo(lprimvec) } {
#$menu.vmdis${menu2} entryconfig {Hexagonal/Rhombohedral ...} \
# -state disabled
$menu.vmdis${menu2} entryconfig {Primitive Cell Mode} \
-state disabled
set radio(cellmode) conv
}
if { !$sInfo(lconvvec) } {
#$menu.vmdis${menu2} entryconfig {Hexagonal/Rhombohedral ...} \
# -state disabled
$menu.vmdis${menu2} entryconfig {Conventional Cell Mode} \
-state disabled
set radio(cellmode) prim
}
}
}
if { $periodic(dim) == 0 } {
foreach entry {
{Crystal Cells} {Wigner-Seitz Cells}
{Crystal Cells As ...} {Primitive Cell Mode}
{Conventional Cell Mode} {Hexagonal/Rhombohedral ...}
{Unit of Repetition ...}
} {
$menu.vmdis${menu2} entryconfig $entry -state disabled
}
$menu.vmmod${menu2} entryconfig {Wigner-Seitz Cell Settings} \
-state disabled
} else {
foreach entry {
{Crystal Cells}
{Crystal Cells As ...}
{Unit of Repetition ...}
} {
$menu.vmdis${menu2} entryconfig $entry -state normal
}
#$menu.vmmod${menu2} entryconfig {Wigner-Seitz Cell Settings} \
# -state normal
}
if { ![info exists xsfAnim(nstep)] } {
$menu.vmmod${menu2} entryconfig {Animation Controls} \
-state disabled
} else {
if { $xsfAnim(nstep) < 1 } {
$menu.vmmod${menu2} entryconfig {Animation Controls} \
-state disabled
} else {
$menu.vmmod${menu2} entryconfig {Animation Controls} \
-state normal
}
}
if { $dispmode(style) == "2D" } {
xcDisableOne { .mea.f2.sty .mea.f2.shd }
} else {
xcEnableOne { .mea.f2.sty .mea.f2.shd }
}
# enable all widgets in CONTROL-MAIN FRAME & MEASURE-MAIN FRAME
xcEnableAll .ctrl .mea
# disable PLANE button (temporarily)
#xcDisableOne .mea.f1.pln
}
if { [xcIsActive render] && [xcIsActive c95] && ![xcIsActive properties]} {
xcEnableMenuOne $menu [list $menu.vmadvg "AdvGeom"]
}
if { [xcIsActive c95] || [xcIsActive newinput] || \
[xcIsActive openinput] } {
# enable the following entries in File menu
foreach entry {
Close
{Save XSF Structure}
{Save Current State and Structure}
{Save CRYSTAL Input}
} {
$menu.vmfile${menu2} entryconfig $entry -state normal
}
}
if { [xcIsActive properties] && [xcIsActive render] } {
xcEnableMenuOne $menu [list $menu.vmpro "Properties"]
foreach entry {
Close
{Save XSF Structure}
{Save Current State and Structure}
{Save CRYSTAL Input}
{Save WIEN2k Struct File}
} {
$menu.vmfile${menu2} entryconfig $entry -state normal
}
}
if { $periodic(dim) == 0 } {
$menu.vmdat${menu2} entryconfig {k-path Selection} -state disabled
}
if { ![array exists sInfo] } {
$menu.vmdat${menu2} entryconfig {Data Grid} -state disabled
} elseif { !$sInfo(ldatagrid2D) && !$sInfo(ldatagrid3D) } {
$menu.vmdat${menu2} entryconfig {Data Grid} -state disabled
}
if { $dispmode(style) == "2D" } {
$menu.vmdis${menu2} entryconfig {Wigner-Seitz Cells} -state disabled
} else {
if { $periodic(dim) == 3 } {
$menu.vmdis${menu2} entryconfig {Wigner-Seitz Cells} -state normal
}
}
if { [xcIsActive render] && [xcIsActive c95] && \
([xcIsActive openinput] || [xcIsActive newinput]) && \
$periodic(dim) == 2 } {
foreach entry {
{Atoms & Cell Manipulation ...}
{Cut a SLAB}
{Cut a non-Periodical Structure ...}
} {
$menu.vmadvg${menu2} entryconfig $entry -state normal
}
$menu.vmadvg${menu2}.3 entryconfig {Create a Multi-Slab} -state normal
} else {
$menu.vmadvg${menu2}.3 entryconfig {Create a Multi-Slab} -state disabled
}
if { [xcIsActive multislab] } {
xcEnableMenuOne $menu [list $menu.vmadvg "AdvGeom"]
set end [$menu.vmadvg${menu2} index end]
for {set i 0} {$i <= $end} {incr i} {
catch {$menu.vmadvg${menu2} entryconfig $i -state disabled}
}
$menu.vmadvg${menu2} entryconfig {Multi-Slab ...} -state normal
$menu.vmadvg${menu2}.3 entryconfig {Change Multi-Slab Vacuum Thickness} \
-state normal
} else {
$menu.vmadvg${menu2}.3 entryconfig {Change Multi-Slab Vacuum Thickness} \
-state disabled
}
if { [xcIsActive render] && $periodic(dim) == 3 } {
$menu.vmfile${menu2} entryconfig {Save WIEN2k Struct File} \
-state normal
}
if { $periodic(dim) == 0 } {
$menu.vmmod${menu2} entryconfig {Number of Units Drawn} -state disabled
.mea.f2.unit config -state disabled
.mea.f2.asym config -state disabled
} else {
$menu.vmmod${menu2} entryconfig {Number of Units Drawn} -state normal
.mea.f2.unit config -state active
.mea.f2.asym config -state active
}
if { $system(c95_exist) == 0 } {
foreach entry {
{New CRYSTAL Input}
{Open CRYSTAL ...}
} {
$menu.vmfile${menu2} entryconfig $entry -state disabled
}
}
global xcMisc
if { ! [info exists xcMisc(babel)] } {
$menu.vmfile${menu2}.opstr entryconfig "Gaussian Z-Matrix File" -state disabled
}
# t.k.: this is temporal
if { ![info exists xcMisc(0.2.x_hexa/rhombo_debug)] } {
$menu.vmdis${menu2} entryconfig "Hexagonal/Rhombohedral ..." \
-state disabled
}
if { ![info exists xcMisc(movie_encoder)] && ![info exists xcMisc(gif_encoder)]} {
$menu.vmdat${menu2} entryconfig {Movie Maker} -state disabled
} else {
# prevent simultaneous AnimationControl's and MovieMaker's animation capability
global gifAnim
if { [info exists gifAnim(anim_ctrl_widgets)] } {
if { $gifAnim(anim_ctrl_widgets) == 1 } {
# AnimationControl's "movie options" are On, disable MovieMaker menu
$menu.vmdat${menu2} entryconfig {Movie Maker} -state disabled
} else {
if { [info exists xcMisc(movie_encoder)] || [info exists xcMisc(gif_encoder)]} {
$menu.vmdat${menu2} entryconfig {Movie Maker} -state normal
}
}
}
global movieMaker xsfAnim
if { [info exists movieMaker(tplw)] } {
if { [winfo exists $movieMaker(tplw)] } {
if { [info exists xsfAnim(anim_ctrl_button)] } {
if { [winfo exists $xsfAnim(anim_ctrl_button)] } {
$xsfAnim(anim_ctrl_button) config -state disabled
}
}
} else {
if { [info exists xsfAnim(anim_ctrl_button)] } {
if { [winfo exists $xsfAnim(anim_ctrl_button)] } {
$xsfAnim(anim_ctrl_button) config -state normal
}
}
}
}
}
# stereo button should be always disabled if stereo is not supported
global stereo_visual
if { $stereo_visual == "false" } {
.mea.f2.stereo configure -state disable
}
}
############################################################################
# proc append word to XCState variable
proc xcAppendState {word} {
global XCState
set app 1
# maybe XCState do not exists or XCstate(state) is empty
if ![info exists XCState(state)] {
set XCState(state) $word
return
}
if { $XCState(state) == "" } {
set XCState(state) $word
return
}
# if word is already in XCState(state), do not append
set statelist [split $XCState(state) _]
foreach item $statelist {
if { $item == $word } { set app 0 }
}
if $app {
append XCState(state) _$word
}
# we will return 1 if appending was successful
return $app
}
############################################################################
# proc delete word form XCState variable
proc xcDeleteState {word} {
global XCState
# if XCState does not exists, there is nothing to delete; return silently
if ![info exists XCState(state)] { return }
set statelist [split $XCState(state) _]
set XCState(state) ""
foreach item $statelist {
if { $item != $word } {
append XCState(state) "${item}_"
}
}
if { $XCState(state) != "" } {
string trimright $XCState(state) _
}
}
#############################################################################
# TRACE utility procedure
proc xcTrace {name1 name2 op} {
global species groupsel XCTrace nxdir nydir nzdir prop \
isoControl isosurf radio pDen
# this is for Print command in File-menu
if { $name1 == "species" } {
set name [capitalize $species]
.menu.vmfile.menu entryconfig Print* -label "Print $name"
} elseif { $name1 == "groupsel" } {
# in MODIFY/CHANGE toplevel there is
# "Type of Cell for Rhombohedral Groups" button, which is activ
# only if $groupsel in RHOMBOHEDRAL ONE
if [winfo exists $XCTrace(RHOMBO_TYPE_BUTTON)] {
if { [lindex $groupsel 0] == "R" } {
$XCTrace(RHOMBO_TYPE_BUTTON) config -state normal
} else {
$XCTrace(RHOMBO_TYPE_BUTTON) config -state disabled
}
}
} elseif { $name1 == "nxdir" } {
# look in isoControl.tcl file
if [info exists XCTrace(scX)] {
if [winfo exists $XCTrace(scX)] {
$XCTrace(scX) config -to $nxdir
}
}
if [info exists XCTrace(2DscX)] {
if [winfo exists $XCTrace(2DscX)] {
$XCTrace(2DscX) config -to $nxdir
}
}
} elseif { $name1 == "nydir" } {
# look in isoControl.tcl file
if [info exists XCTrace(scY)] {
if [winfo exists $XCTrace(scY)] {
$XCTrace(scY) config -to $nydir
}
}
if [info exists XCTrace(2DscY)] {
if [winfo exists $XCTrace(2DscY)] {
$XCTrace(2DscY) config -to $nydir
}
}
} elseif { $name1 == "nzdir" } {
# look in isoControl.tcl file
if [info exists XCTrace(scZ)] {
if [winfo exists $XCTrace(scZ)] {
$XCTrace(scZ) config -to $nzdir
}
}
if [info exists XCTrace(2DscZ)] {
if [winfo exists $XCTrace(2DscZ)] {
$XCTrace(2DscZ) config -to $nzdir
}
}
} elseif { $name1 == "prop" } {
if { $name2 == "doss_criteria" } {
# enable or disable the scale for specifying number
if { $prop(doss_criteria) == "band-interval criteria" } {
DOSS_Init_BandIntv
} else {
DOSS_Init_EnerIntv
}
}
} elseif { $name1 == "isosurf" } {
if { $name2 == "3Dinterpl_degree" } {
# determine the number of slides for ISO_PLANE123
# xc_iso grid returns {nx, ny, nz}
if ![info exists isosurf(3Dinterpl_degree_old)] {
set isosurf(3Dinterpl_degree_old) $isosurf(3Dinterpl_degree)
}
set n $isosurf(3Dinterpl_degree)
set n_old $isosurf(3Dinterpl_degree_old)
xcDebug "XCTrace::::3Dinterpl_degree: n=$n; n_old=$n_old"
set r(1) [expr double($n) / double($n_old)]
set r(2) [expr double($n) / double($n_old)]
set r(3) [expr double($n) / double($n_old)]
set isoControl(1,nslide) \
[expr ([lindex [xc_iso grid] 2] - 1) * $n + 1]
set isoControl(2,nslide) \
[expr ([lindex [xc_iso grid] 1] - 1) * $n + 1]
set isoControl(3,nslide) \
[expr ([lindex [xc_iso grid] 0] - 1) * $n + 1]
xcDebug "XCTrace::::3Dinterpl_degree: 1,2,3,plane: $isoControl(1,nslide) $isoControl(2,nslide) $isoControl(3,nslide)"
if ![info exists isoControl(current_slide)] {
set isoControl(current_slide) 1
}
foreach i {1 2 3} {
if ![info exists isoControl($i,current_slide)] {
set isoControl($i,current_slide) 1
} else {
if { $r($i) > 1.0 } { set r($i) 1.0 }; # just in any case
set isoControl($i,current_slide) [expr round(\
($isoControl($i,current_slide) - 1) * $r($i)) + 1]
# just in any case
if { $isoControl($i,current_slide) > \
$isoControl($i,nslide) } {
set isoControl($i,current_slide) \
$isoControl($i,nslide)
}
if { $isoControl($i,current_slide) < 1 } {
set isoControl($i,current_slide) 1
}
}
set isoControl($i,current_text_slide) "Current slide: $isoControl($i,current_slide) / $isoControl($i,nslide)"
xcDebug "XCTrace::::3Dinterpl_degree: text_slide $isoControl($i,current_text_slide)"
}
}
set isosurf(3Dinterpl_degree_old) $isosurf(3Dinterpl_degree)
} elseif { $name1 == "radio" } {
if { $name2 == ".mesa,bg" } {
global radio mesa_bg
.mesa.unmap config -bg $radio($name2)
set mesa_bg(current) $radio($name2)
}
} elseif { $name1 == "pDen" } {
for {set i 0} {$i < $pDen(nsurface)} {incr i} {
if { $name2 == "$i,monocolor" } {
$pDen($i,colbut) config -bg [rgb_f2h $pDen($i,monocolor)]
}
}
} elseif { $name1 == "colSh" } {
global colSh
if { $name2 == "slabrange_min" } {
if { [winfo exists colSh(scMax)] } {
$colSh(scMax) config -from $colSh(slabrange_min)
}
} elseif { $name2 == "slabrange_max" } {
$colSh(scMin) config -to $colSh(slabrange_max)
} elseif { $name2 == "slab_fractional" } {
if { $colSh(slab_fractional) } {
# from absolute --> fractional
$colSh(scMin) config -from 0
$colSh(scMax) config -to 1
ColorScheme:fromAbsToFrac
} else {
# from fractional --> absolute
$colSh(scMin) config -from $colSh(slab_absrange_min_from)
$colSh(scMax) config -to $colSh(slab_absrange_max_to)
ColorScheme:fromFracToAbs
}
}
} elseif { $name1 == "toglEps" } {
global toglEps
if { $name2 == "EPStype" } {
if { $toglEps(EPStype) == "BITMAP" } {
xcDisableAll $toglEps(frame2)
} else {
# VECTORIAL
xcEnableAll $toglEps(frame2)
}
}
}
}
# delete trace on "var" if it exists
proc xcTraceDelete {var} {
set tr [trace vinfo $var]
if { $tr != "" } { trace vdelete $var }
}
###############################################################################
proc xcAdvGeomState {type {num 1}} {
global advGeomState AdvGeom
if { $type == "reset" } {
if [array exists AdvGeom] { unset AdvGeom }
set advGeomState(count) 0
} elseif { $type == "new" } {
if ![info exists advGeomState(count)] { set advGeomState(count) 0 }
incr advGeomState(count) $num
xcDebug "\nxcAdvGeomState:: count == $advGeomState(count)\n"
} elseif { $type == "undo" } {
# just decrease count by 1; leave AvdGeom($count,*) alive
incr advGeomState(count) -$num
} elseif { $type == "current" } {
return $advGeomState(count)
} elseif { $type == "delete" } {
# decrease count by 1 and unset AdvGeom($count,*)
for {set i 0} {$i < $num} {incr i} {
set alist [array names AdvGeom $advGeomState(count),*]
foreach name $alist {
unset AdvGeom($name)
}
incr advGeomState(count) -1
}
}
return $advGeomState(count)
}
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