/usr/share/xcrysden/Tcl/propertyPlane.tcl is in xcrysden-data 1.5.60-1.
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/propertyPlane.tcl
# ------ #
# Copyright (c) 1996-2003 by Anton Kokalj #
#############################################################################
proc IsoControl2D {} {
global isosurf nxdir nydir nzdir periodic xcFonts XCTrace prop \
isoControl unmapWin
if { [winfo exists .iso2D] } { return }
#
# initializations
#
set isoControl(plane) {}
set isoControl(datagridDim) 2
set isoControl(colorplane) 1
set isoControl(isoline) 1
IsoControl_InitVar
set t [xcToplevel .iso2D \
"Property-plane Controls" "Property-PlaneControls" . -0 0 1]
xcRegisterUnmapWindow $t $unmapWin(frame,main) \
isosurf_control -image unmap-isosurf
bind $t <Unmap> [list xcUnmapWindow unmap %W $t \
$unmapWin(frame,main) isosurf_control]
bind $t <Map> [list xcUnmapWindow map %W $t \
$unmapWin(frame,main) isosurf_control]
########################
### ColorPLANE frame ###
########################
set f0 [frame $t.f0 -relief raised -bd 2]
frame $f0.1 -relief groove -bd 2
pack $f0 -side top -fill both -expand 1
pack $f0.1 -padx 2 -pady 5 -ipady 3 -fill x
scale $f0.1.sc -from 1 -to 5 -length 100 \
-variable isosurf(3Dinterpl_degree) -orient horizontal \
-label "Degree of biCubic Spline:" \
-tickinterval 1 -resolution 1 \
-width 7 -sliderlength 20 \
-showvalue true \
-font $xcFonts(small)
pack $f0.1.sc -side top -padx 2 -pady 5 -fill both -expand 1
set f1 [frame $t.f1 -relief raised -bd 2]
frame $f1.1 -relief groove -bd 2
set f11 [frame $f1.1.f1]
set f12 [frame $f1.1.f2]
xcMenuEntry $f11 "Select color basis:" 30 \
isoControl(cpl_basis) {MONOCHROME RAINBOW RGB GEOGRAPHIC BLUE-WHITE-RED BLACK_BROWN_WHITE} \
-labelwidth 17 \
-labelfont $xcFonts(small) \
-entryfont $xcFonts(small_entry) \
-labelanchor w
xcMenuEntry $f12 "Select scale function:" 30 \
isoControl(cpl_function) \
{LINEAR LOG10 SQRT 3th-ROOT EXP(x) EXP(x^2)} \
-labelwidth 17 \
-labelfont $xcFonts(small) \
-entryfont $xcFonts(small_entry) \
-labelanchor w
pack $f1 -side top -fill both -expand 1
pack $f1.1 -padx 2 -pady 5 -ipady 3 -fill x
pack $f11 $f12 -side top -in $f1.1 -fill x
#
# DISPLAY/RANGES/EXPAND/ISOLINE
#
set f2 [frame $t.f2 -relief raised -bd 2]
pack $f2 -side top -fill both -expand 1
IsoControl_DispRanExpIso $f2
########################################
# BOTTOM FRAME
set f3 [frame $t.f3 -relief raised -bd 2]
pack $f3 -side top -fill x -expand 1
set hid [button $f3.hid -text "Hide" \
-command [list IsoControl_Hide $t]]
set can [button $f3.can -text "Close" \
-command [list IsoControlCan $t 2]]
set sav [button $f3.sav -text "Save Grid" \
-command IsoControlSave]
set sub [button $f3.sub -text "Submit" \
-command UpdatePropertyPlane]
pack $hid $can $sav $sub -side left -pady 5 -expand 1
}
proc IsoControl_DispRanExpIso f {
global isosurf nxdir nydir nzdir periodic xcFonts XCTrace prop \
isoControl xcColors
set f11 [frame $f.1]
pack $f11 -side top -fill both -expand 1 -padx 4 -pady 8
set mfb [frame $f11.mfb]
set mf [frame $f11.mf -relief raised -bd 2]
pack $mfb $mf -side top -padx 2 -fill both -expand 1
set df [frame $mf.d -relief groove -bd 2]
set rf [frame $mf.r -relief groove -bd 2]
set ef [frame $mf.e -relief groove -bd 2]
set ifr [frame $mf.i]
set d [button $mfb.d -text "Display" \
-highlightthickness 0 -bd 1 \
-command [list IsoControl_IsoLineShow display \
$mfb.d $mfb.r $mfb.e $mfb.i \
$df $rf $ef $ifr]]
set r [button $mfb.r -text "Ranges" \
-highlightthickness 0 -bd 1 \
-command [list IsoControl_IsoLineShow ranges \
$mfb.d $mfb.r $mfb.e $mfb.i \
$df $rf $ef $ifr]]
set e [button $mfb.e -text "Expand" \
-highlightthickness 0 -bd 1 \
-command [list IsoControl_IsoLineShow expand \
$mfb.d $mfb.r $mfb.e $mfb.i\
$df $rf $ef $ifr]]
set i [button $mfb.i -text "Isoline" \
-highlightthickness 0 -bd 1 \
-command [list IsoControl_IsoLineShow isoline \
$mfb.d $mfb.r $mfb.e $mfb.i\
$df $rf $ef $ifr]]
if { $periodic(dim) == 0 } {
$e config -state disabled
}
pack $d $r $e $i -side left -padx 0 -pady 0 -fill both -expand 1
IsoControl_IsoLineShow display $mfb.d $mfb.r $mfb.e $mfb.i \
$df $rf $ef $ifr
#
# DISPLAY
#
set l [label $df.l -text "Property-plane display option:"]
set lfont [ModifyFont [$df.l cget -font] $df.l -underline 1]
$l configure -font $lfont
set ck1 [checkbutton $df.c1 \
-text "display color-plane" \
-variable isoControl(colorplane) \
-width 21 \
-anchor w]
set ck2 [checkbutton $df.c2 \
-text "display isolines" \
-variable isoControl(isoline) \
-width 21 \
-anchor w]
set ck3 [checkbutton $df.c3 \
-text "lighting of color-plane" \
-variable isoControl(colorplane_lighting) \
-width 21 \
-onvalue 1 \
-offvalue 0 \
-anchor w]
set ck4 [checkbutton $df.c4 \
-text "transparent color-plane" \
-variable isoControl(cpl_transparency) \
-width 21 \
-onvalue 1 -offvalue 0 \
-anchor w]
set ck5 [checkbutton $df.c5 \
-text "display thermometer" \
-variable isoControl(cpl_thermometer) \
-width 21 \
-onvalue 1 -offvalue 0 \
-anchor w]
set ck6 [checkbutton $df.c6 \
-text "thermometer in toplevel" \
-variable isoControl(cpl_thermoTplw) \
-width 21 \
-onvalue 1 -offvalue 0 \
-anchor w]
set thermo [frame $df.f]
grid configure $l -column 0 -row 0 -columnspan 2
grid configure $ck1 -column 0 -row 1
grid configure $ck4 -column 0 -row 2
grid configure $ck2 -column 1 -row 1
grid configure $ck3 -column 1 -row 2
grid configure $ck5 -column 0 -row 3
grid configure $ck6 -column 1 -row 3
grid configure $thermo -column 0 -row 4 -columnspan 2
# thermometer-widgets
set tf1 [frame $thermo.1 -relief groove -bd 2]
set tf11 [frame $tf1.1]
set tf12 [frame $tf1.2]
label $tf11.__l -text "Thermometer settings:" -anchor w
pack $tf11.__l -side top -fill x
FillEntries $tf11 {
"Format string:"
"Label:"
"No. of tics:"
} {
isoControl(cpl_thermoFmt)
isoControl(cpl_thermoLabel)
isoControl(cpl_thermoNTics)
} 14 20
button $tf12.font -text "Set Font" -command isoControl_thermoFont
pack $tf1 -side top -fill both -expand 1 -padx 5 -pady 5
pack $tf11 $tf12 -side left -fill x -expand 1 -padx 5 -pady 5
pack $tf12.font -side top -fill x -expand 1
#
# RANGES
#
set frame_color [lindex \
[GetWidgetConfig frame -background] end]
FillEntries $rf {"Minimum 3D grid value:"} \
isosurf(minvalue) \
25 9 top left \
-e_relief flat -e_state disabled -e_bg $frame_color \
-l_font $xcFonts(small) -e_font $xcFonts(small_entry)
FillEntries $rf {"Maximum 3D grid value:"} \
isosurf(maxvalue) \
25 9 top left \
-e_relief flat -e_state disabled -e_bg $frame_color \
-l_font $xcFonts(small) -e_font $xcFonts(small_entry)
set isoControl(2Dlowvalue_entry) [FillEntries $rf \
{"Lowest rendered value:"} isoControl(2Dlowvalue) \
25 9 top left \
-l_font $xcFonts(small) -e_font $xcFonts(small_entry)]
set isoControl(2Dhighvalue_entry) [FillEntries $rf \
{"Highest rendered value:"} isoControl(2Dhighvalue) \
25 9 top left \
-l_font $xcFonts(small) -e_font $xcFonts(small_entry)]
set isoControl(2Dnisoline_entry) [FillEntries $rf \
{"Number of isolines:"} \
isoControl(2Dnisoline) \
25 9 top left \
-l_font $xcFonts(small) -e_font $xcFonts(small_entry)]
#
# EXPAND
#
set f21 [frame $ef.top]
set f22 [frame $ef.bot]
pack $f21 $f22 -side top -fill both -expand 1
set enable "\
$f22.scX configure -foreground $xcColors(enabled_fg); \
$f22.scY configure -foreground $xcColors(enabled_fg); \
$f22.scZ configure -foreground $xcColors(enabled_fg)"
set disable " \
$f22.scX configure -foreground $xcColors(disabled_fg); \
$f22.scY configure -foreground $xcColors(disabled_fg); \
$f22.scZ configure -foreground $xcColors(disabled_fg)"
if { $periodic(dim) > 0 } {
label $f21.l -text "Expand Property-plane:" -relief flat
$f21.l configure -font $lfont
set r1 [radiobutton $f21.r1 \
-text "do not expand" \
-variable isosurf(2Dexpand) \
-value "none" \
-anchor w \
-font $xcFonts(small) \
-command "xcDisableAll $f22; catch {eval $disable}"]
set r2 [radiobutton $f21.r2 \
-text "to whole structure" \
-variable isosurf(2Dexpand) \
-value "whole" \
-anchor w \
-font $xcFonts(small) \
-command "xcDisableAll $f22; catch {eval $disable}"]
set r3 [radiobutton $f21.r3 \
-text "separately in each direction" \
-variable isosurf(2Dexpand) \
-value "specify" \
-anchor w \
-font $xcFonts(small) \
-command "xcEnableAll $f22; catch {eval $enable}"]
set XCTrace(2DscX) [scale $f22.scX -from 1 -to $nxdir -length 100 \
-variable isosurf(2Dexpand_X) -orient horizontal \
-label "repeat in X-dir:" -tickinterval 1 -resolution 1 \
-showvalue true \
-font $xcFonts(small) \
-width 7 -sliderlength 20]
# TRACE -- nxdir
trace variable nxdir w xcTrace
pack $XCTrace(2DscX) -side left -pady 5 -expand 1 -fill x
if { $periodic(dim) > 1} {
set XCTrace(2DscY) [scale $f22.scY -from 1 -to $nydir \
-length 100 \
-variable isosurf(2Dexpand_Y) -orient horizontal \
-label "repeat in Y-dir:" -tickinterval 1 -resolution 1 \
-showvalue true \
-font $xcFonts(small) \
-width 7 -sliderlength 20]
# TRACE -- nydir
trace variable nydir w xcTrace
pack $XCTrace(2DscY) -side left -pady 5 -expand 1 -fill x
}
if { $periodic(dim) > 2 } {
set XCTrace(2DscZ) [scale $f22.scZ -from 1 -to $nzdir \
-length 100 \
-variable isosurf(2Dexpand_Z) -orient horizontal \
-label "repeat in Z-dir:" -tickinterval 1 -resolution 1 \
-showvalue true \
-font $xcFonts(small) \
-width 7 -sliderlength 20]
# TRACE -- nzdir
trace variable nzdir w xcTrace
pack $XCTrace(2DscZ) -side left -pady 5 -expand 1 -fill x
}
# get correct state for EXPAND options
if { $isosurf(2Dexpand) == "none" || $isosurf(2Dexpand) == "whole" } {
xcDisableAll $f22; catch {eval $disable}
} else {
xcEnableAll $f22; catch {eval $enable}
}
pack $f21.l -side top -expand 1
pack $r1 $r2 $r3 -side top -fill x
}
#
# Isoline
#
set mf1 [frame $ifr.1 -relief groove -bd 2]
set mf2 [frame $ifr.2 -relief groove -bd 2]
set mf3 [frame $ifr.3 -relief groove -bd 2]
pack $mf1 $mf2 $mf3 -side top -expand 1 -fill both -padx 3 -pady 3
set isoControl(bmc) [button $mf1.b -text "set color" \
-command IsoControl_SetIsolineColor]
RadioButVarCmd $mf1 "Isoline Color:" isoControl(isoline_color) \
IsoControl_IsolineColor left top 0 0 \
{monocolor} {property color}
pack $isoControl(bmc) -side left -padx 2
RadioBut $mf2 "Isoline Stipple:" isoControl(isoline_stipple) left top 0 1 \
{no stipple} {stipple negative} {full stipple}
# this is temporal, since "Isoline Stipple" is not yet working
xcDisableAll $mf2
# here goes isoline_width entry
set isoControl(2Disolinewidth_entry) [FillEntries $mf3 \
{"Isoline width:"} \
isoControl(isoline_width) \
14 10 left left]
}
proc UpdatePropertyPlane {{var {}}} {
global prop isosurf periodic isosign isodata isosurf_struct \
isoControl isoControl_struct vec dif_isosurf
SetWatchCursor
if { ![check_var {
{isoControl(2Dlowvalue) real}
{isoControl(2Dhighvalue) real}
{isoControl(2Dnisoline) posint}
{isoControl(isoline_width) posint}
} [list \
$isoControl(2Dlowvalue_entry) \
$isoControl(2Dhighvalue_entry) \
$isoControl(2Dnisoline_entry) \
$isoControl(2Disolinewidth_entry)]] } {
ResetCursor
return
}
if { $isoControl(2Dnisoline) > $isoControl(max_allowed_2Dnisoline) } {
tk_dialog [WidgetName] WARNING "WARNING: more then $isoControl(max_allowed_2Dnisoline) isolines was requested; Maximum number is $isoControl(max_allowed_2Dnisoline) !!! Setting number of isolines to $isoControl(max_allowed_2Dnisoline)" \
warning 0 OK
set isoControl(2Dnisoline) $isoControl(max_allowed_2Dnisoline)
}
if { $isoControl(cpl_basis) == {} } {
tk_dialog [WidgetName] ERROR "ERROR: You forgot to specify color basis. Please Do it !" error 0 OK
ResetCursor
return
}
if { $isoControl(cpl_function) == {} } {
tk_dialog [WidgetName] ERROR "ERROR: You forgot to specify scale function. Please Do it !" error 0 OK
ResetCursor
return
}
###################################
# this is needed if spin is changed
set upd 0;
if { $isosurf_struct(isosign) != $isosign || \
$isosurf_struct(isodata) != $isodata || \
$isosurf_struct(spin) != $isosurf(spin) } {
SetXC_Iso 2D
eval $isosign
xc_iso end isosign
eval $isodata
xc_isodata make
set upd 1
}
if { $isosurf_struct(3Dinterpl_degree) != $isosurf(3Dinterpl_degree) } {
xc_iso interpolate $isosurf(3Dinterpl_degree)
set upd 1
}
if { \
$isoControl_struct(cpl_basis) != $isoControl(cpl_basis) || \
$isoControl_struct(cpl_function) != $isoControl(cpl_function) || \
$isoControl_struct(colorplane) != $isoControl(colorplane) || \
$isoControl_struct(isoline) != $isoControl(isoline) || \
$isoControl_struct(colorplane_lighting) != $isoControl(colorplane_lighting) || \
$isoControl_struct(cpl_transparency) != $isoControl(cpl_transparency) || \
$isoControl_struct(cpl_thermometer) != $isoControl(cpl_thermometer) || \
$isoControl_struct(cpl_thermoTplw) != $isoControl(cpl_thermoTplw) || \
$isoControl_struct(cpl_thermoFmt) != $isoControl(cpl_thermoFmt) || \
$isoControl_struct(cpl_thermoLabel) != $isoControl(cpl_thermoLabel) || \
$isoControl_struct(cpl_thermoNTics) != $isoControl(cpl_thermoNTics) || \
$isoControl_struct(cpl_thermoFont) != $isoControl(cpl_thermoFont) || \
$isosurf_struct(2Dexpand) != $isosurf(2Dexpand) || \
$isosurf_struct(2Dexpand_X) != $isosurf(2Dexpand_X) || \
$isosurf_struct(2Dexpand_Y) != $isosurf(2Dexpand_Y) || \
$isosurf_struct(2Dexpand_Z) != $isosurf(2Dexpand_Z) || \
$isoControl_struct(anim_step) != $isoControl(anim_step) || \
$isoControl_struct(current_slide) != $isoControl(current_slide) || \
$isoControl_struct(2Dlowvalue) != $isoControl(2Dlowvalue) || \
$isoControl_struct(2Dhighvalue) != $isoControl(2Dhighvalue) || \
$isoControl_struct(2Dnisoline) != $isoControl(2Dnisoline) || \
$isoControl_struct(isoline_color) != $isoControl(isoline_color) || \
$isoControl_struct(isoline_width) != $isoControl(isoline_width) || \
$isoControl_struct(isoline_monocolor)!= $isoControl(isoline_monocolor) || \
$isoControl_struct(isoline_stipple) != $isoControl(isoline_stipple) } {
set upd 1
}
if $upd {
if { $isoControl(colorplane) && !$isoControl(isoline) } {
set what "colorplane"
} elseif { !$isoControl(colorplane) && $isoControl(isoline) } {
set what "isoline"
} elseif { $isoControl(colorplane) && $isoControl(isoline) } {
set what "both"
} else {
set what "none"
}
#
# this must be the same as in "isosurf.h"
#
set COLORBASE_MONO 0
set COLORBASE_RAINBOW 1
set COLORBASE_RGB 2
set COLORBASE_GEOGRAPHIC 3
set COLORBASE_BLUE_WHITE_RED 4
set COLORBASE_BLACK_BROWN_WHITE 5
set SCALE_FUNC_LIN 0
set SCALE_FUNC_LOG 1
set SCALE_FUNC_LOG10 2
set SCALE_FUNC_SQRT 3
set SCALE_FUNC_ROOT3 4
set SCALE_FUNC_GAUSS 5
set SCALE_FUNC_SLATER 6
set basis COLORBASE_MONO
set func SCALE_FUNC_LIN
switch -exact -- $isoControl(cpl_basis) {
MONOCHROME { set basis $COLORBASE_MONO }
RAINBOW { set basis $COLORBASE_RAINBOW }
RGB { set basis $COLORBASE_RGB }
GEOGRAPHIC { set basis $COLORBASE_GEOGRAPHIC }
BLUE-WHITE-RED { set basis $COLORBASE_BLUE_WHITE_RED }
BLACK-BROWN-WHITE { set basis $COLORBASE_BLACK_BROWN_WHITE }
}
switch -exact -- $isoControl(cpl_function) {
LINEAR { set func $SCALE_FUNC_LIN }
LOG { set func $SCALE_FUNC_LOG }
LOG10 { set func $SCALE_FUNC_LOG10 }
SQRT { set func $SCALE_FUNC_SQRT }
3th-ROOT { set func $SCALE_FUNC_ROOT3 }
EXP(x) { set func $SCALE_FUNC_SLATER }
EXP(x^2) { set func $SCALE_FUNC_GAUSS }
}
if { $isoControl(isoline_color) == "monocolor" } {
set linecolor [concat monocolor \
[rgb_h2f $isoControl(isoline_monocolor)]]
} else {
set linecolor polycolor
}
switch -exact -- $isoControl(isoline_stipple) {
{no stipple} { set linedash nodash }
{stipple negative} { set linedash negdash }
{full stipple} { set linedash fulldash }
}
xc_iso isoplaneconfig 0 \
-isoplanemin $isoControl(2Dlowvalue) \
-isoplanemax $isoControl(2Dhighvalue) \
-isolinecolor $linecolor \
-isolinedash $linedash \
-isolinewidth $isoControl(isoline_width) \
-isolinenlevels $isoControl(2Dnisoline) \
-isoplanelighting $isoControl(colorplane_lighting)
xc_iso isoplane 0 $basis $func $what
if { $what != "none" } {
xc_isoplane .mesa 0 -planetype $what \
-transparency $isoControl(cpl_transparency) \
-render after
########################################
# now take care of xc_isoexpand
# isosurf(expand) ......... none/whole/specify
# |-> isosurf(expand_[X,Y,Z])
if { $isosurf(2Dexpand) == "none" } {
if { $periodic(dim) == 3 } {
set expand2D {1 0 0 0 1 0 0 0 1 0 0 0}
} elseif { $periodic(dim) == 2 } {
set expand2D {1 0 0 0 1 0 0 0 1 0 0 0}
} elseif { $periodic(dim) == 1 } {
set expand2D {1 0 0 0 1 0 0 0 1 0 0 0}
} else {
set expand2D {1 0 0 0 1 0 0 0 1 0 0 0}
}
} elseif { $isosurf(2Dexpand) == "whole" } {
set expand2D "whole"
} else {
# expand == specify
if { $periodic(dim) == 3 } {
set expand2D [list 1 0 0 0 1 0 0 0 1 \
$isosurf(2Dexpand_X) \
$isosurf(2Dexpand_Y) \
$isosurf(2Dexpand_Z)]
} elseif { $periodic(dim) == 2 } {
set expand2D [list 1 0 0 0 1 0 0 0 1 \
$isosurf(2Dexpand_X) $isosurf(2Dexpand_Y) 0]
} elseif { $periodic(dim) == 1 } {
set expand2D [list 1 0 0 0 1 0 0 0 1 \
$isosurf(2Dexpand_X) 0 0]
} else {
set expand2D {1 0 0 0 1 0 0 0 1 0 0 0}
}
}
xcDebug "Expand2D::::periodic == $periodic(dim)"
xcDebug "Expand2D::::expand2D == $expand2D"
xc_isoexpand .mesa 0 -repeattype default \
-shape parapipedal -expand $expand2D -render after
}
############################
# take care of thermometer #
############################
if { $isoControl(cpl_thermometer) } {
# render thermometer !!!
foreach wid [list .mesa.thermo .thermo] {
if { [winfo exists $wid] } {
destroy $wid
}
}
if { $isoControl(cpl_thermoTplw) == 1 } {
set prefix {}
} else {
set prefix .mesa
}
set tw [thermometerWidget $prefix.thermo {} \
$isoControl(cpl_thermoLabel) \
$isoControl(cpl_thermoFont) \
$isoControl(cpl_thermoFmt) \
$isoControl(cpl_basis) \
$isoControl(cpl_function) \
$isoControl(2Dlowvalue) \
$isoControl(2Dhighvalue) \
$isoControl(cpl_thermoNTics) \
$isoControl(cpl_thermoTplw)]
if { $isoControl(cpl_thermoTplw) == 0 } {
pack $tw -anchor nw -side top
}
} else {
if { [winfo exists .mesa.thermo] } {
destroy .mesa.thermo
} elseif { [winfo exists .thermo] } {
destroy .thermo
}
}
}
# update the display
xc_display .mesa
# now updata isosurf_struct global variable
Set_UpdateIsosurf_Struct
ResetCursor
}
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