/usr/share/xcrysden/Tcl/scriptingScalarField3D.tcl is in xcrysden-data 1.5.60-1.
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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/scriptingScalarField3D.tcl
# ------ #
# Copyright (c) 1996-2003 by Anton Kokalj #
#############################################################################
# ------------------------------------------------------------------------
#****c* Scripting/scripting::scalarField3D
#
# NAME
# scripting::scalarField3D
#
# PURPOSE
# Encapsulate the scripting interface for manipulating the 3D scalar
# field and display of isosurfaces and colorplane+contour plots. A
# typical usage of the interface is the following. First the scalar
# field is loaded with the "load" command. Then with the "configure"
# command the isosurface and/or contours display parameters are set.
# Finally the isosurface and/or contours are displayed using the
# "render" command. It is possible to make several snapshots of
# isosurface and/or contours by changing configuration options, this
# would look as:
#
# load
# configure ...
# render
# configure ..
# render
# ...
#
# COMMANDS
#
# -- scripting::scalarField3D::load
# Loads the scalar field.
#
# -- scripting::scalarField3D::configure
# Configure the display parameters for isosurface and/or contours
# plot.
#
# -- scripting::scalarField3D::render
# Renders the sosurface and/or contours.
#****
# ------------------------------------------------------------------------
namespace eval scripting::scalarField3D {
variable scalarField3D
set scalarField3D(loaded) 0
set scalarField3D(configured) 0
set scalarField3D(basalplane) -1
}
# ------------------------------------------------------------------------
#****f* Scripting/scripting::scalarField3D::load
#
# NAME
# scripting::scalarField3D::load
#
# USAGE
# scripting::scalarField3D::load
#
# PURPOSE
# This proc loads the 3D scalar field. Prior to calling this routine
# the XSF file with the description of 3D scalar filed should be
# loaded by "scripting::open --xsf file.xsf" call.
#
# RETURN VALUE
# Undefined.
#
# WARNINGS
# Prior to calling this routine the XSF file with the description of
# 3D scalar filed should be loaded by "scripting::open --xsf file.xsf"
# call.
#
# EXAMPLE
# scripting::open --xsf file.xsf
# scripting::scalarField3D::load
#
#****
# ------------------------------------------------------------------------
proc scripting::scalarField3D::load {} {
variable scalarField3D
#
# load datagrid
#
set dim [DataGridOK [DataGrid]]
if { $dim != "3D" } {
error "datagrid is not 3D, but $dim"
}
set scalarField3D(loaded) 1
# load the scalar-field 3D defaults
IsoControl_InitVar
}
# ------------------------------------------------------------------------
#****f* Scripting/scripting::scalarField3D::configure
#
# NAME
# scripting::scalarField3D::configure
#
# USAGE
# scripting::scalarField3D::configure -option value ?-option value? ...
#
# PURPOSE
# This proc configures the display parameters of isosurface and/or
# contours plot.
# ARGUMENTS
# args -- various configuration "-option value" pairs (see Options).
#
# OPTIONS
# ------------------------------------------------------------------------
# OPTION:: ALLOWED-VALUES + Description
# ------------------------------------------------------------------------
# -isosurface 0|1
# 0 = do not render isosurface
# 1 = render isosurface
#
# -interpolation_degree integer
# degree of scalar-field interpolation
#
# -isolevel real
# the isovalue of isosurface
#
# -plusminus 0|1
# 0 = display only the isosurface of isovalue
# specified by -isolevel
# 1 = display the two isosurfaces of +-isovalue
#
# -revertsides pos|neg|{pos neg}
# pos = revert the front- and back-side of isovalue
# isosurface
# neg = revert the front- and back-side of -isovalue
# isosurface
# -revertnormals pos|neg|{pos neg}
# pos = revert the normals of isovalue isosurface
# neg = revert the normals of -isovalue isosurface
#
# -expand none|whole|specify
# none = do not expand the isosurface along the
# periodic directions
# whole = expand the isosurface over the
# whole structure along the periodic
# directions
# specify = expand the isosurface along the
# periodic directions as specified by
# -expand_X, -expand_Y, and -expand_Z
# factors
#
# -expand_X positive-integer
# expand isosurface n-times along the 1st
# periodic dimension
#
#
# -expand_Y positive-integer
# expand isosurface n-times along the 2nd
# periodic dimension
#
# -expand_Z positive-integer
# expand isosurface n-times along the 3rd
# periodic dimension
#
# -basalplane 0|1|2
# show the ith basal plane (0=xy, 1=xz, 2=yz)
# as colorplane and/or isolines (as specified by
# -colorplane and -isoline options)
#
# -colorbasis MONOCHROME|RAINBOW|RGB|GEOGRAPHIC|BLUE-WHITE-RED|BLACK-BROWN-WHITE
# the color basis for the colorplane
#
# -scalefunction LINEAR|LOG10|SQRT|3th-ROOT|EXP(x)|EXP(x^2)
# the scalefunctions for contour/colorplane plots
#
# -expand2D none|whole|specify
# none = do not expand the contour/colorplane plots
# along the periodic directions
# whole = expand the contour/colorplane plots
# over the whole structure along the
# periodic directions
# specify = expand the contour/colorplane plots
# along the periodic directions as specified
# by -expand2D_X, -expand2D_Y, and
# -expand2D_Z factors
#
# -expand2D_X positive-integer
# expand contour/colorplane n-times along the 1st
# periodic dimension
#
#
# -expand2D_Y positive-integer
# expand contour/colorplane n-times along the 2nd
# periodic dimension
#
# -expand2D_Z positive-integer
# expand contour/colorplane n-times along the 3rd
# periodic dimension
#
# -colorplane 0|1
# do not display|display the colorplane
#
# -isoline 0|1
# do not display|display the isolines
#
# -colorplane_lighting 0|1
# 0 = do not perform lighting for colorplane
# 1 = perform lighting for colorplane
#
# -cpl_transparency 0|1
# 0 = render colorplane as non-transparent
# 1 = render colorplane as transparent
#
# -cpl_thermometer 0|1
# 0 = do not make a legend (i.e. thermometer) for
# colorplane colors
# 1 = make a legend (i.e. thermometer) for
# colorplane colors
#
# -2Dlowvalue real
# minimum rendered value of colorplane/isolines
#
# -2Dhighvalue real
# maximum rendered value of colorplane/isolines
#
# -2Dnisoline positive-integer
# number of isoline
#
# -anim_step positive-integer
# animation step
#
# -current_slide positive-integer
# iD (i.e. sequential number) of colorplane
#
# -isoline_color monocolor|{property color}
# monocolor = all isolines have the same color
# {property color} = isolines are colorer according
# to color-basis
#
# -isoline_width positive-integer
# width (i.e. thickness) of isolines
#
# -isoline_monocolor #rgb
# color of the monolor-type isolines
#
# ------------------------------------------------------------------------
#
# RETURN VALUE
# Undefined.
#
# EXAMPLE
# scripting::scalarField3D::configure \
# -isosurface 1 \
# -interpolation_degree 2 \
# -isolevel 0.1 \
# -plusminus 1 \
# -revertsides {pos neg} \
# -revertnormal {pos neg} \
# -expand specify \
# -expand_X 1 \
# -expand_Y 1 \
# -expand_Z 1 \
# -basalplane 0 \
# -colorbasis BLUE-WHITE-RED \
# -scalefunction LINEAR \
# -expand2D specify \
# -expand2D_X 1 \
# -expand2D_Y 1 \
# -expand2D_Z 1 \
# -colorplane 1 \
# -isoline 1 \
# -colorplane_lighting 0 \
# -cpl_transparency 0 \
# -cpl_thermometer 1 \
# -2Dlowvalue -0.1 \
# -2Dhighvalue +0.1 \
# -2Dnisoline 11 \
# -anim_step 1 \
# -current_slide 30 \
# -isoline_color monocolor \
# -isoline_width 3 \
# -isoline_monocolor \#000000
#
#****
# ------------------------------------------------------------------------
proc scripting::scalarField3D::configure {args} {
variable scalarField3D
global isosurf isoControl prop
#
# assuming the 3D grid !!!
#
set scalarField3D(configured) 1
# if the colorplane/isolines are to be rendered, then "-basalplane
# whichplane" should be specigied, and the iplane will be assigned
# accordingly
set iplane $scalarField3D(basalplane)
# parse the options
set i 0
foreach option $args {
incr i
if { $i%2 } {
set tag $option
} else {
switch -glob -- $tag {
"-isosurface" {
switch -- $option {
on - 1 { set isoControl(isosurf) 1 }
off - 0 { set isoControl(isosurf) 0 }
default {
ErrorDialog "wrong -isosurface value $option, must be 0 or 1"
}
}
}
"-interpolation_degree" {
if { ! [string is integer $option] } {
ErrorDialog "expected integer for -interpolationdegree option, but got $option"
} elseif { $option < 1 } {
ErrorDialog "-interpolationdegree value should be greater then 0, but got $option"
} else {
set isosurf(3Dinterpl_degree) $option
}
}
"-isolevel" {
if { ! [string is double $option] } {
ErrorDialog "expected real-number for -isolevel option, but got $option"
} else {
set prop(isolevel) $option
}
}
"-plusminus" {
switch -- $option {
yes - on - 1 { set prop(pm_isolevel) 1 }
no - off - 0 { set prop(pm_isolevel) 0 }
default {
ErrorDialog "wrong -isosurface value $option, must be 0 or 1"
}
}
IsoControlCommand
}
"-revertside*" {
foreach side $option {
switch -- [string tolower $side] {
pos { RevertIsoSides pos }
neg { RevertIsoSides neg }
default {
ErrorDialog "the value of -revertsides must be pos or neg, but got $option"
}
}
}
}
"-revertnormal*" {
foreach side $option {
switch -- [string tolower $side] {
pos { RevertIsoNormals pos }
neg { RevertIsoNormals neg }
default {
ErrorDialog "the value of -revertnormals must be pos or neg, but got $option"
}
}
}
}
"-basalplane" {
switch $option {
1 { set iplane 1 }
2 { set iplane 2 }
3 { set iplane 3 }
default {
ErrorDialog "the value of -basalplane must be 0, 1, or 2, but got $option"
continue
}
}
set scalarField3D(basalplane) $iplane
set t .iso
set ft $t.ft
set fb1 $t.fb1
set fb2 $t.fb2
IsoControl_Show colorplane$iplane $fb1 $fb2 $ft.b1 $ft.b2 $ft.b3 $ft.b4
}
"-colorbasis" {
switch -exact -- $option {
MONOCHROME - RAINBOW - RGB - GEOGRAPHIC - BLUE-WHITE-RED - BLACK-BROWN-WHITE { set cpl_basis $option }
default {
ErrorDialog "wrong colorbasis $option, must be ..."
continue
}
}
}
"-scalefunction" {
switch -exact -- $option {
LINEAR - LOG10 - SQRT - 3th-ROOT - EXP(x) - EXP(x^2) {set cpl_function $option }
default {
ErrorDialog "wrong scale-function $option, must be ..."
continue
}
}
}
"-expand" -
"-expand2D" {
set var [string trimleft $tag -]
switch -- $option {
none - whole - specify { set $var $option }
default {
ErrorDialog "wrong $tag value $option, must be none, whole, specify"
continue
}
}
}
"-expand_X" -
"-expand_Y" -
"-expand_Z" -
"-expand2D_X" -
"-expand2D_Y" -
"-expand2D_Z" {
if { ! [string is integer $option] } {
ErrorDialog "expected integer for $tag option, but got $option"
} elseif { $option < 1 } {
ErrorDialog "$tag value should be greater then 0, but got $option"
} else {
set var [string trimleft $tag -]
set $var $option
}
}
"-colorplane" -
"-isoline" -
"-colorplane_lighting" -
"-cpl_transparency" -
"-cpl_thermometer" -
"-2Dlowvalue" -
"-2Dhighvalue" -
"-2Dnisoline" -
"-anim_step" -
"-current_slide" -
"-isoline_color" -
"-isoline_width" -
"-isoline_monocolor" {
set var [string trimleft $tag -]
set $var $option
}
}
}
}
if { $i%2 } {
ErrorDialog "scripting::scalarField3D::configure called with an odd number of arguments !!!"
}
if { [info exists expand] } { set isosurf(expand) $expand }
if { [info exists expand_X] } { set isosurf(expand_X) $expand_X }
if { [info exists expand_Y] } { set isosurf(expand_Y) $expand_Y }
if { [info exists expand_Z] } { set isosurf(expand_Z) $expand_Z }
if { $iplane > 0 } {
if { [info exists cpl_basis] } { set isoControl($iplane,cpl_basis) $cpl_basis }
if { [info exists cpl_function] } { set isoControl($iplane,cpl_function) $cpl_function }
if { [info exists colorplane] } { set isoControl($iplane,colorplane) $colorplane }
if { [info exists isoline] } { set isoControl($iplane,isoline) $isoline }
if { [info exists colorplane_lighting] } { set isoControl($iplane,colorplane_lighting) $colorplane_lighting }
if { [info exists cpl_transparency] } { set isoControl($iplane,cpl_transparency) $cpl_transparency }
if { [info exists cpl_thermometer] } { set isoControl($iplane,cpl_thermometer) $cpl_thermometer }
if { [info exists cpl_thermoTplw] } { set isoControl($iplane,cpl_thermoTplw) $cpl_thermoTplw }
if { [info exists 2Dlowvalue] } { set isoControl($iplane,2Dlowvalue) $2Dlowvalue }
if { [info exists 2Dhighvalue] } { set isoControl($iplane,2Dhighvalue) $2Dhighvalue }
if { [info exists 2Dnisoline] } { set isoControl($iplane,2Dnisoline) $2Dnisoline }
if { [info exists expand2D] } { set isosurf($iplane,2Dexpand) $expand2D }
if { [info exists expand2D_X] } { set isosurf($iplane,2Dexpand_X) $expand2D_X }
if { [info exists expand2D_Y] } { set isosurf($iplane,2Dexpand_Y) $expand2D_Y }
if { [info exists expand2D_Z] } { set isosurf($iplane,2Dexpand_Z) $expand2D_Z }
if { [info exists anim_step] } {
set isoControl($iplane,anim_step) $anim_step
}
if { [info exists current_slide] } {
set isoControl($iplane,current_slide) $current_slide
set isoControl(current_text_slide) "Current slide: $isoControl($iplane,current_slide) / $isoControl($iplane,nslide)"
}
if { [info exists isoline_color] } { set isoControl($iplane,isoline_color) $isoline_color }
if { [info exists isoline_width] } { set isoControl($iplane,isoline_width) $isoline_width }
if { [info exists isoline_monocolor] } {set isoControl($iplane,isoline_monocolor) $isoline_monocolor }
if { [info exists isoline_stipple] } { set isoControl($iplane,isoline_stipple) $isoline_stipple }
# register the colorplane values
IsoControl_SetColorPlaneVar 2nd $iplane
}
}
# ------------------------------------------------------------------------
#****f* Scripting/scripting::scalarField3D::render
#
# NAME
# scripting::scalarField3D::render
#
# USAGE
# scripting::scalarField3D::render
#
# PURPOSE
# This proc displays the either isosurface or contours/colorplanes or
# both (depending on the configuration).
#
# RETURN VALUE
# Undefined.
#
# EXAMPLE
# scripting::scalarField3D::render
#
#****
# ------------------------------------------------------------------------
proc scripting::scalarField3D::render {} {
variable scalarField3D
if { !$scalarField3D(loaded) } {
ErrorDialog "can't render isosurface/contours, the scalar field was not loaded. Call scripting::scalarField3D::load and scripting::scalarField3D::configure before calling scripting::scalarField3D::render"
return
}
if { !$scalarField3D(configured) } {
ErrorDialog "can't render isosurface/contours, since they were not configured. Call scripting::scalarField3D::configure before calling scripting::scalarField3D::render"
return
}
#############
UpdateIsosurf
}
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