Generated from colorplane_animation.tcl with ROBODoc v3.2.4 on Wed May 25 16:04:51 2005
NAME
colorplane_animation.tcl -- a simple example for animating a contour plots
USAGE
xcrysden --script colorplane_animation.tcl
COPYRIGHT
Anton Kokalj (C) 2003
PURPOSE
This is a scripting example that shows how to produce an animation
of colorplane/contour plots by loading the XSF file which contains
the description of the 3D scalar field. In this example the contours
of the LUMO molecular-orbital are animated trough the CO molecule
for all three three basal planes (i.e. XY, XZ, and YZ).
AUTHOR
Anton Kokalj
CREATION DATE
Sometime in February 2003
SOURCE
# ------------------------------------------------------------------------
# load the structure (the argument to scription:open is the command line
# ------------------------------------------------------------------------
scripting::open --xsf $env(XCRYSDEN_TOPDIR)/examples/Xcrysden_Structure_Files/CO_lumo.xsf.gz
# ------------------------------------------------------------------------
# display the structure in appropriate display-mode
# ------------------------------------------------------------------------
#-----
# this is Lighting-On modes:
#-----
scripting::lighting On
# choose a given 3D-display mode
#scripting::displayMode3D Stick
scripting::displayMode3D Pipe&Ball
#scripting::displayMode3D BallStick
#scripting::displayMode3D SpaceFill
#----
# ------------------------------------------------------------------------
# maximize the XCRYSDEN main window
# ------------------------------------------------------------------------
#scripting::mainWindow maximize
scripting::displayWindow fullscreen
# ------------------------------------------------------------------------
# load the 3D scalar field
# ------------------------------------------------------------------------
scripting::scalarField3D::load
# ------------------------------------------------------------------------
# hide the isosourface control window
# ------------------------------------------------------------------------
IsoControl_Hide
# alternatively you could do
#wm withdraw .iso
# ------------------------------------------------------------------------
# this is preliminary, used for the sake of better visualizing
# effect. See below the desciption of the two functions used here.
# ------------------------------------------------------------------------
scripting::scalarField3D::configure \
-isosurface 0 \
-interpolation_degree 2 \
-basalplane 2 \
-colorbasis BLUE-WHITE-RED \
-scalefunction LINEAR \
-colorplane 1 \
-isoline 1 \
-colorplane_lighting 0 \
-cpl_transparency 1 \
-cpl_thermometer 1 \
-2Dlowvalue -0.2 \
-2Dhighvalue +0.2 \
-2Dnisoline 11 \
-anim_step 1 \
-current_slide 1 \
-isoline_color {property color} \
-isoline_width 3 \
# -isoline_monocolor \#000000
scripting::scalarField3D::render
# ------------------------------------------------------------------------
# zoom and rotate the structure
# ------------------------------------------------------------------------
scripting::zoom -0.08 8
scripting::rotate x -5 18
scripting::rotate y +5 15
# do the animation show forever
while {1} {
#
# description of scripting::scalarField3D::configure options:
#
# ------------------------------------------------------------------------
# OPTION:: ALLOWED-VALUES + Description STATUS
# ------------------------------------------------------------------------
# -isosurface 0|1 REQUIRED
# 0 = do not render isosurface
# 1 = render isosurface
#
# -interpolation_degree integer OPTIONAL
# degree of scalar-field interpolation
#
# -isolevel real REQUIRED
# 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
#
# -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
# 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
#
# ------------------------------------------------------------------------
#
#
# Example:
#
# scripting::scalarField3D::configure \
# -isosurface 1 \
# -interpolation_degree 2 \
# -isolevel 0.1 \
# -plusminus 1 \
# -revertsides {pos neg} \
# -revertnormal {pos neg} \
# -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
#
# ------------------------------------------------------------------------
# configure, i.e., specify how to render the scalar field
#
# render 2nd basal plane
# ------------------------------------------------------------------------
scripting::scalarField3D::configure \
-isosurface 0 \
-interpolation_degree 2 \
-basalplane 2 \
-colorbasis BLUE-WHITE-RED \
-scalefunction LINEAR \
-colorplane 1 \
-isoline 1 \
-colorplane_lighting 0 \
-cpl_transparency 1 \
-cpl_thermometer 1 \
-2Dlowvalue -0.2 \
-2Dhighvalue +0.2 \
-2Dnisoline 11 \
-anim_step 1 \
-current_slide 1 \
-isoline_color {property color} \
-isoline_width 3 \
# -isoline_monocolor \#000000
# ------------------------------------------------------------------------
# render the 3D scalar field as requested by
# scripting::scalarField3D::configure
# ------------------------------------------------------------------------
scripting::scalarField3D::render
# ------------------------------------------------------------------------
# now let us do the animation
# ------------------------------------------------------------------------
for {set i 1} {$i <= 49} {incr i} {
scripting::scalarField3D::configure -current_slide $i
scripting::scalarField3D::render
}
for {set i 49} {$i > 0} {incr i -1} {
scripting::scalarField3D::configure -current_slide $i
scripting::scalarField3D::render
}
scripting::scalarField3D::configure -colorplane 0 -isoline 0 -cpl_thermometer 0
# now render the 1st basal plane
scripting::scalarField3D::configure \
-basalplane 1 \
-colorbasis BLUE-WHITE-RED \
-scalefunction LINEAR \
-colorplane 1 \
-isoline 1 \
-colorplane_lighting 0 \
-cpl_transparency 1 \
-cpl_thermometer 1 \
-2Dlowvalue -0.2 \
-2Dhighvalue +0.2 \
-2Dnisoline 11 \
-anim_step 49 \
-current_slide 1 \
-isoline_color {property color} \
-isoline_width 3 \
# -isoline_monocolor \#000000
scripting::scalarField3D::render
scripting::rotate y 5 18
for {set i 1} {$i <= 49} {incr i} {
scripting::scalarField3D::configure -current_slide $i
scripting::scalarField3D::render
}
for {set i 49} {$i > 0} {incr i -1} {
scripting::scalarField3D::configure -current_slide $i
scripting::scalarField3D::render
}
scripting::scalarField3D::configure -colorplane 0 -isoline 0 \
-cpl_thermometer 0
# now render the 3rd basal plane
scripting::scalarField3D::configure \
-basalplane 3 \
-colorbasis BLUE-WHITE-RED \
-scalefunction LINEAR \
-colorplane 1 \
-isoline 1 \
-colorplane_lighting 0 \
-cpl_transparency 1 \
-cpl_thermometer 1 \
-2Dlowvalue -0.2 \
-2Dhighvalue +0.2 \
-2Dnisoline 11 \
-anim_step 1 \
-current_slide 1 \
-isoline_color {property color} \
-isoline_width 3 \
# -isoline_monocolor \#000000
scripting::scalarField3D::render
scripting::rotate y -5 18
scripting::rotate x +5 26
for {set i 1} {$i <= 49} {incr i} {
scripting::scalarField3D::configure -current_slide $i
scripting::scalarField3D::render
}
for {set i 49} {$i > 0} {incr i -1} {
scripting::scalarField3D::configure -current_slide $i
scripting::scalarField3D::render
}
scripting::rotate x -5 26
scripting::scalarField3D::configure -colorplane 0 -isoline 0 \
-cpl_thermometer 0
}
![[Figure]](img/xcrysden-picture-small-new.jpg)